Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
1568 | 1apf RC | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 43.001 7.106 7.770
2 2H GLY 1 3H GLY 1 43.439 5.491 8.070
3 3H GLY 1 2H GLY 1 44.453 6.487 7.133
4 1HA GLY 1 2HA GLY 1 43.394 5.892 5.291
5 2HA GLY 1 1HA GLY 1 42.343 4.852 6.261
6 H VAL 2 H VAL 2 41.150 5.969 4.122
7 HA VAL 2 HA VAL 2 39.529 8.194 5.265
8 HB VAL 2 HB VAL 2 40.159 7.667 2.334
9 1HG1 VAL 2 1HG1 VAL 2 38.071 8.928 2.680
10 2HG1 VAL 2 3HG1 VAL 2 38.925 10.110 3.664
11 3HG1 VAL 2 2HG1 VAL 2 39.286 9.957 1.954
12 1HG2 VAL 2 3HG2 VAL 2 41.429 9.714 4.216
13 2HG2 VAL 2 2HG2 VAL 2 42.250 8.337 3.507
14 3HG2 VAL 2 1HG2 VAL 2 41.706 9.644 2.483
15 HA PRO 3 HA PRO 3 36.199 5.400 4.025
16 1HB PRO 3 2HB PRO 3 34.031 6.717 4.853
17 2HB PRO 3 1HB PRO 3 35.155 6.109 6.065
18 1HG PRO 3 2HG PRO 3 35.139 8.902 4.762
19 2HG PRO 3 1HG PRO 3 35.082 8.539 6.490
20 1HD PRO 3 2HD PRO 3 37.433 9.075 5.245
21 2HD PRO 3 1HD PRO 3 37.376 7.869 6.550
22 H CYS 4 H CYS 4 34.940 5.270 2.160
23 HA CYS 4 HA CYS 4 34.582 7.799 0.622
24 1HB CYS 4 2HB CYS 4 35.301 6.198 -1.408
25 2HB CYS 4 1HB CYS 4 36.432 7.180 -0.532
26 H LEU 5 H LEU 5 33.247 7.425 -1.355
27 HA LEU 5 HA LEU 5 30.808 6.011 -0.583
28 1HB LEU 5 2HB LEU 5 31.071 8.424 -1.567
29 2HB LEU 5 1HB LEU 5 31.317 7.658 -3.119
30 HG LEU 5 HG LEU 5 28.856 7.120 -1.406
31 1HD1 LEU 5 2HD1 LEU 5 28.995 9.542 -1.811
32 2HD1 LEU 5 1HD1 LEU 5 29.190 9.273 -3.538
33 3HD1 LEU 5 3HD1 LEU 5 27.683 8.840 -2.740
34 1HD2 LEU 5 3HD2 LEU 5 29.302 6.917 -4.443
35 2HD2 LEU 5 2HD2 LEU 5 29.215 5.536 -3.382
36 3HD2 LEU 5 1HD2 LEU 5 27.816 6.536 -3.601
37 H CYS 6 H CYS 6 29.923 4.357 -1.854
38 HA CYS 6 HA CYS 6 31.715 3.109 -3.825
39 1HB CYS 6 2HB CYS 6 30.110 1.335 -2.026
40 2HB CYS 6 1HB CYS 6 31.651 1.178 -2.808
41 H ASP 7 H ASP 7 30.526 0.884 -4.391
42 HA ASP 7 HA ASP 7 28.596 1.677 -6.430
43 1HB ASP 7 2HB ASP 7 30.173 -0.096 -7.010
44 2HB ASP 7 1HB ASP 7 29.663 -1.060 -5.633
45 H SER 8 H SER 8 28.301 -0.826 -3.903
46 HA SER 8 HA SER 8 25.358 -0.618 -4.140
47 1HB SER 8 2HB SER 8 25.474 -2.492 -2.374
48 2HB SER 8 1HB SER 8 26.361 -2.883 -3.860
49 HG SER 8 HG SER 8 27.313 -2.401 -1.366
50 H ASP 9 H ASP 9 27.303 1.411 -3.034
51 HA ASP 9 HA ASP 9 26.769 1.829 -0.231
52 1HB ASP 9 2HB ASP 9 28.757 2.665 -1.282
53 2HB ASP 9 1HB ASP 9 27.915 3.591 -2.478
54 H GLY 10 H GLY 10 24.589 1.411 -0.349
55 1HA GLY 10 2HA GLY 10 22.908 3.824 -0.626
56 2HA GLY 10 1HA GLY 10 22.429 2.439 -1.609
57 HA PRO 11 HA PRO 11 20.299 0.847 1.886
58 1HB PRO 11 2HB PRO 11 20.288 -1.830 1.598
59 2HB PRO 11 1HB PRO 11 19.577 -0.808 0.341
60 1HG PRO 11 2HG PRO 11 22.491 -1.806 0.488
61 2HG PRO 11 1HG PRO 11 21.323 -2.130 -0.802
62 1HD PRO 11 2HD PRO 11 22.968 -0.025 -1.095
63 2HD PRO 11 1HD PRO 11 21.257 0.220 -1.457
64 H ARG 12 H ARG 12 23.167 1.363 2.418
65 HA ARG 12 HA ARG 12 23.789 -0.743 4.419
66 1HB ARG 12 2HB ARG 12 25.364 1.575 3.269
67 2HB ARG 12 1HB ARG 12 25.954 0.695 4.673
68 1HG ARG 12 2HG ARG 12 25.474 -1.456 3.285
69 2HG ARG 12 1HG ARG 12 25.328 -0.398 1.895
70 1HD ARG 12 2HD ARG 12 27.616 0.357 2.126
71 2HD ARG 12 1HD ARG 12 27.785 -0.460 3.679
72 HE ARG 12 HE ARG 12 27.976 -1.720 1.055
73 1HH1 ARG 12 2HH1 ARG 12 25.781 -3.135 2.609
74 2HH1 ARG 12 1HH1 ARG 12 26.671 -4.360 3.449
75 1HH2 ARG 12 1HH2 ARG 12 29.757 -2.834 2.834
76 2HH2 ARG 12 2HH2 ARG 12 28.997 -4.195 3.574
77 HA PRO 13 HA PRO 13 22.369 1.497 7.936
78 1HB PRO 13 2HB PRO 13 23.717 0.295 9.957
79 2HB PRO 13 1HB PRO 13 22.759 -0.694 8.863
80 1HG PRO 13 2HG PRO 13 25.729 0.033 8.497
81 2HG PRO 13 1HG PRO 13 25.060 -1.587 8.756
82 1HD PRO 13 2HD PRO 13 25.393 -0.726 6.244
83 2HD PRO 13 1HD PRO 13 23.870 -1.544 6.643
84 H ARG 14 H ARG 14 24.263 1.978 10.176
85 HA ARG 14 HA ARG 14 24.784 4.664 9.894
86 1HB ARG 14 2HB ARG 14 26.218 2.507 11.468
87 2HB ARG 14 1HB ARG 14 26.862 4.135 11.493
88 1HG ARG 14 2HG ARG 14 25.345 3.836 13.398
89 2HG ARG 14 1HG ARG 14 24.676 5.012 12.290
90 1HD ARG 14 2HD ARG 14 23.142 3.240 11.358
91 2HD ARG 14 1HD ARG 14 23.805 2.091 12.519
92 HE ARG 14 HE ARG 14 22.646 3.247 14.266
93 1HH1 ARG 14 1HH2 ARG 14 23.185 6.021 13.586
94 2HH1 ARG 14 2HH2 ARG 14 21.660 6.622 13.044
95 1HH2 ARG 14 2HH1 ARG 14 20.381 3.391 12.516
96 2HH2 ARG 14 1HH1 ARG 14 20.020 5.076 12.398
97 H GLY 15 H GLY 15 26.221 5.948 8.930
98 1HA GLY 15 2HA GLY 15 28.297 6.535 7.854
99 2HA GLY 15 1HA GLY 15 28.637 4.824 7.589
100 H ASN 16 H ASN 16 26.095 4.180 6.592
101 HA ASN 16 HA ASN 16 25.327 3.656 4.481
102 1HB ASN 16 2HB ASN 16 23.739 5.144 5.652
103 2HB ASN 16 1HB ASN 16 24.458 6.546 4.860
104 1HD2 ASN 16 2HD2 ASN 16 22.016 4.103 2.754
105 2HD2 ASN 16 1HD2 ASN 16 22.518 3.638 4.312
106 H THR 17 H THR 17 26.371 6.991 4.020
107 HA THR 17 HA THR 17 27.112 6.312 1.270
108 HB THR 17 HB THR 17 27.276 8.894 0.988
109 HG1 THR 17 HG1 THR 17 27.600 9.728 2.918
110 1HG2 THR 17 3HG2 THR 17 25.010 7.711 0.679
111 2HG2 THR 17 2HG2 THR 17 24.702 7.970 2.385
112 3HG2 THR 17 1HG2 THR 17 24.851 9.343 1.304
113 H LEU 18 H LEU 18 28.550 6.074 3.837
114 HA LEU 18 HA LEU 18 31.291 6.334 2.746
115 1HB LEU 18 2HB LEU 18 30.314 7.896 5.176
116 2HB LEU 18 1HB LEU 18 32.002 7.493 5.032
117 HG LEU 18 HG LEU 18 30.443 9.157 2.988
118 1HD1 LEU 18 1HD1 LEU 18 32.527 9.971 5.084
119 2HD1 LEU 18 3HD1 LEU 18 31.799 11.052 3.908
120 3HD1 LEU 18 2HD1 LEU 18 30.816 10.344 5.181
121 1HD2 LEU 18 1HD2 LEU 18 33.437 8.563 3.247
122 2HD2 LEU 18 3HD2 LEU 18 32.392 7.922 1.994
123 3HD2 LEU 18 2HD2 LEU 18 32.722 9.637 2.064
124 H SER 19 H SER 19 29.527 4.121 3.634
125 HA SER 19 HA SER 19 30.872 3.158 6.096
126 1HB SER 19 2HB SER 19 28.755 1.801 4.360
127 2HB SER 19 1HB SER 19 29.269 1.266 5.965
128 HG SER 19 HG SER 19 28.003 2.783 6.772
129 H GLY 20 H GLY 20 32.688 3.474 4.031
130 1HA GLY 20 2HA GLY 20 33.803 0.772 3.871
131 2HA GLY 20 1HA GLY 20 33.408 1.503 2.308
132 H ILE 21 H ILE 21 36.097 0.883 3.436
133 HA ILE 21 HA ILE 21 37.212 3.678 3.549
134 HB ILE 21 HB ILE 21 38.473 1.086 4.525
135 1HG1 ILE 21 2HG1 ILE 21 36.532 1.567 5.987
136 2HG1 ILE 21 1HG1 ILE 21 37.996 1.898 6.883
137 1HG2 ILE 21 1HG2 ILE 21 39.437 3.906 4.994
138 2HG2 ILE 21 3HG2 ILE 21 40.118 2.465 5.718
139 3HG2 ILE 21 2HG2 ILE 21 40.203 2.688 3.987
140 1HD1 ILE 21 1HD1 ILE 21 37.729 4.347 6.370
141 2HD1 ILE 21 3HD1 ILE 21 36.230 3.974 5.532
142 3HD1 ILE 21 2HD1 ILE 21 36.358 3.693 7.250
143 H LEU 22 H LEU 22 39.117 4.072 2.308
144 HA LEU 22 HA LEU 22 39.104 2.530 -0.192
145 1HB LEU 22 2HB LEU 22 40.848 4.138 -0.966
146 2HB LEU 22 1HB LEU 22 39.488 4.969 -0.254
147 HG LEU 22 HG LEU 22 40.834 5.154 1.882
148 1HD1 LEU 22 1HD1 LEU 22 43.128 4.467 -0.020
149 2HD1 LEU 22 3HD1 LEU 22 43.338 5.139 1.589
150 3HD1 LEU 22 2HD1 LEU 22 42.709 3.534 1.398
151 1HD2 LEU 22 2HD2 LEU 22 40.474 7.040 0.262
152 2HD2 LEU 22 1HD2 LEU 22 42.087 7.156 0.942
153 3HD2 LEU 22 3HD2 LEU 22 41.852 6.507 -0.674
154 H TRP 23 H TRP 23 40.853 1.239 -1.039
155 HA TRP 23 HA TRP 23 42.782 0.478 1.041
156 1HB TRP 23 2HB TRP 23 40.805 -1.290 -0.299
157 2HB TRP 23 1HB TRP 23 42.389 -1.973 -0.083
158 HD1 TRP 23 HD1 TRP 23 39.387 -1.129 2.064
159 HE1 TRP 23 HE1 TRP 23 39.970 -1.431 4.480
160 HE3 TRP 23 HE3 TRP 23 44.260 -1.526 1.440
161 HZ2 TRP 23 HZ2 TRP 23 42.347 -1.710 5.992
162 HZ3 TRP 23 HZ3 TRP 23 45.796 -1.732 3.340
163 HH2 TRP 23 HH2 TRP 23 44.824 -1.858 5.678
164 H PHE 24 H PHE 24 44.543 0.192 0.740
165 HA PHE 24 HA PHE 24 45.809 0.448 -1.867
166 1HB PHE 24 2HB PHE 24 46.441 0.898 1.028
167 2HB PHE 24 1HB PHE 24 47.824 0.364 0.157
168 HD1 PHE 24 HD1 PHE 24 44.908 2.739 -0.233
169 HD2 PHE 24 HD2 PHE 24 49.088 2.161 -0.835
170 HE1 PHE 24 HE1 PHE 24 45.106 5.035 -1.064
171 HE2 PHE 24 HE2 PHE 24 49.283 4.466 -1.662
172 HZ PHE 24 HZ PHE 24 47.289 5.905 -1.778
173 H TYR 25 H TYR 25 44.657 -1.881 -1.943
174 HA TYR 25 HA TYR 25 46.884 -3.788 -1.523
175 1HB TYR 25 2HB TYR 25 44.074 -4.038 -0.698
176 2HB TYR 25 1HB TYR 25 44.648 -5.444 -1.548
177 HD1 TYR 25 HD2 TYR 25 45.658 -3.098 1.221
178 HD2 TYR 25 HD1 TYR 25 46.036 -6.955 -0.512
179 HE1 TYR 25 HE2 TYR 25 46.958 -3.832 3.168
180 HE2 TYR 25 HE1 TYR 25 47.341 -7.695 1.444
181 HH TYR 25 HH TYR 25 48.668 -5.604 3.686
182 HA PRO 26 HA PRO 26 46.514 -4.117 -5.911
183 1HB PRO 26 2HB PRO 26 48.466 -5.981 -6.391
184 2HB PRO 26 1HB PRO 26 48.884 -4.338 -5.875
185 1HG PRO 26 2HG PRO 26 48.413 -6.796 -4.075
186 2HG PRO 26 1HG PRO 26 49.863 -5.790 -4.143
187 1HD PRO 26 2HD PRO 26 48.001 -5.191 -2.285
188 2HD PRO 26 1HD PRO 26 48.651 -3.825 -3.213
189 H SER 27 H SER 27 45.931 -6.595 -3.660
190 HA SER 27 HA SER 27 44.799 -8.432 -5.674
191 1HB SER 27 2HB SER 27 44.482 -9.814 -3.469
192 2HB SER 27 1HB SER 27 46.151 -9.528 -3.997
193 HG SER 27 HG SER 27 44.948 -8.684 -1.777
194 H GLY 28 H GLY 28 43.721 -5.724 -4.499
195 1HA GLY 28 2HA GLY 28 41.426 -5.006 -4.754
196 2HA GLY 28 1HA GLY 28 40.884 -6.635 -4.331
197 H CYS 29 H CYS 29 40.051 -6.681 -2.227
198 HA CYS 29 HA CYS 29 40.876 -4.633 -0.326
199 1HB CYS 29 2HB CYS 29 38.954 -6.920 0.133
200 2HB CYS 29 1HB CYS 29 39.081 -5.370 0.899
201 HA PRO 30 HA PRO 30 43.518 -7.579 1.746
202 1HB PRO 30 2HB PRO 30 43.992 -6.422 4.123
203 2HB PRO 30 1HB PRO 30 44.529 -5.651 2.621
204 1HG PRO 30 2HG PRO 30 41.910 -5.246 4.063
205 2HG PRO 30 1HG PRO 30 43.088 -4.004 3.746
206 1HD PRO 30 2HD PRO 30 41.015 -4.370 2.042
207 2HD PRO 30 1HD PRO 30 42.620 -4.070 1.348
208 H SER 31 H SER 31 43.662 -8.896 3.670
209 HA SER 31 HA SER 31 41.425 -10.523 4.020
210 1HB SER 31 2HB SER 31 43.868 -11.120 4.607
211 2HB SER 31 1HB SER 31 43.613 -10.234 6.125
212 HG SER 31 HG SER 31 42.806 -12.691 5.546
213 H GLY 32 H GLY 32 39.649 -10.017 4.844
214 1HA GLY 32 2HA GLY 32 38.330 -9.697 6.972
215 2HA GLY 32 1HA GLY 32 39.456 -8.410 7.386
216 H TRP 33 H TRP 33 39.066 -7.941 4.234
217 HA TRP 33 HA TRP 33 36.758 -6.107 4.635
218 1HB TRP 33 2HB TRP 33 39.137 -6.000 2.753
219 2HB TRP 33 1HB TRP 33 37.862 -4.806 2.769
220 HD1 TRP 33 HD1 TRP 33 40.521 -6.253 5.257
221 HE1 TRP 33 HE1 TRP 33 41.111 -4.477 6.924
222 HE3 TRP 33 HE3 TRP 33 37.345 -2.745 3.646
223 HZ2 TRP 33 HZ2 TRP 33 40.339 -1.870 7.474
224 HZ3 TRP 33 HZ3 TRP 33 37.274 -0.571 4.752
225 HH2 TRP 33 HH2 TRP 33 38.808 -0.114 6.702
226 H HIS 34 H HIS 34 35.507 -5.797 2.559
227 HA HIS 34 HA HIS 34 35.658 -8.189 0.779
228 1HB HIS 34 2HB HIS 34 34.342 -8.720 2.833
229 2HB HIS 34 1HB HIS 34 33.227 -7.440 2.421
230 HD1 HIS 34 HD1 HIS 34 34.281 -10.843 1.363
231 HD2 HIS 34 HD2 HIS 34 31.379 -8.021 0.434
232 HE1 HIS 34 HE1 HIS 34 32.554 -11.902 -0.104
233 H ASN 35 H ASN 35 36.019 -5.395 0.388
234 HA ASN 35 HA ASN 35 35.757 -3.789 -1.227
235 1HB ASN 35 2HB ASN 35 35.771 -5.692 -2.832
236 2HB ASN 35 1HB ASN 35 34.023 -5.814 -2.656
237 1HD2 ASN 35 2HD2 ASN 35 35.625 -2.542 -4.589
238 2HD2 ASN 35 1HD2 ASN 35 36.586 -3.423 -3.505
239 H CYS 36 H CYS 36 34.478 -2.176 -2.021
240 HA CYS 36 HA CYS 36 31.660 -2.081 -1.151
241 1HB CYS 36 2HB CYS 36 32.166 -0.285 0.151
242 2HB CYS 36 1HB CYS 36 33.766 -0.907 0.135
243 H LYS 37 H LYS 37 34.227 -0.739 -3.118
244 HA LYS 37 HA LYS 37 32.261 -0.116 -5.272
245 1HB LYS 37 2HB LYS 37 33.367 1.855 -4.149
246 2HB LYS 37 1HB LYS 37 34.914 1.247 -4.669
247 1HG LYS 37 2HG LYS 37 34.306 1.522 -7.029
248 2HG LYS 37 1HG LYS 37 32.639 1.878 -6.605
249 1HD LYS 37 2HD LYS 37 33.450 3.926 -5.358
250 2HD LYS 37 1HD LYS 37 35.075 3.578 -5.917
251 1HE LYS 37 2HE LYS 37 34.421 3.887 -8.247
252 2HE LYS 37 1HE LYS 37 32.722 4.020 -7.807
253 1HZ LYS 37 1HZ LYS 37 34.178 5.856 -6.297
254 2HZ LYS 37 3HZ LYS 37 34.615 6.068 -7.936
255 3HZ LYS 37 2HZ LYS 37 32.983 6.157 -7.461
256 H ALA 38 H ALA 38 32.377 -1.832 -6.498
257 HA ALA 38 HA ALA 38 34.883 -3.224 -7.137
258 1HB ALA 38 1HB ALA 38 32.063 -3.549 -8.282
259 2HB ALA 38 3HB ALA 38 33.398 -4.653 -8.557
260 3HB ALA 38 2HB ALA 38 32.716 -4.489 -6.942
261 H HIS 39 H HIS 39 34.408 -0.374 -7.780
262 HA HIS 39 HA HIS 39 35.078 -0.451 -10.682
263 1HB HIS 39 2HB HIS 39 33.422 1.746 -9.343
264 2HB HIS 39 1HB HIS 39 33.624 1.495 -11.071
265 HD1 HIS 39 HD1 HIS 39 33.081 -1.640 -10.762
266 HD2 HIS 39 HD2 HIS 39 30.744 1.476 -9.304
267 HE1 HIS 39 HE1 HIS 39 30.781 -2.453 -10.418
268 H GLY 40 H GLY 40 36.339 -0.085 -7.782
269 1HA GLY 40 2HA GLY 40 38.702 0.830 -7.883
270 2HA GLY 40 1HA GLY 40 37.980 2.298 -8.523
271 HA PRO 41 HA PRO 41 38.239 4.266 -7.868
272 1HB PRO 41 2HB PRO 41 39.705 6.021 -6.357
273 2HB PRO 41 1HB PRO 41 37.936 6.007 -6.290
274 1HG PRO 41 2HG PRO 41 39.893 4.521 -4.461
275 2HG PRO 41 1HG PRO 41 38.577 5.574 -3.970
276 1HD PRO 41 2HD PRO 41 38.113 2.991 -3.994
277 2HD PRO 41 1HD PRO 41 36.866 4.081 -4.619
278 H ASN 42 H ASN 42 40.822 5.239 -8.218
279 HA ASN 42 HA ASN 42 42.349 2.755 -8.452
280 1HB ASN 42 2HB ASN 42 42.812 5.567 -9.623
281 2HB ASN 42 1HB ASN 42 43.810 4.163 -9.953
282 1HD2 ASN 42 2HD2 ASN 42 41.711 3.914 -12.825
283 2HD2 ASN 42 1HD2 ASN 42 43.242 4.438 -12.295
284 H ILE 43 H ILE 43 41.796 5.280 -6.460
285 HA ILE 43 HA ILE 43 44.533 5.339 -5.707
286 HB ILE 43 HB ILE 43 42.263 7.021 -4.474
287 1HG1 ILE 43 2HG1 ILE 43 44.279 7.681 -6.724
288 2HG1 ILE 43 1HG1 ILE 43 42.587 7.345 -7.003
289 1HG2 ILE 43 2HG2 ILE 43 44.423 6.914 -3.118
290 2HG2 ILE 43 1HG2 ILE 43 45.311 7.483 -4.514
291 3HG2 ILE 43 3HG2 ILE 43 44.132 8.519 -3.731
292 1HD1 ILE 43 1HD1 ILE 43 41.937 9.334 -5.673
293 2HD1 ILE 43 3HD1 ILE 43 43.630 9.705 -5.387
294 3HD1 ILE 43 2HD1 ILE 43 42.986 9.767 -7.012
295 H GLY 44 H GLY 44 43.093 3.123 -5.428
296 1HA GLY 44 2HA GLY 44 43.518 1.362 -3.786
297 2HA GLY 44 1HA GLY 44 43.003 2.451 -2.500
298 H TRP 45 H TRP 45 41.988 -0.140 -3.677
299 HA TRP 45 HA TRP 45 39.385 0.360 -4.884
300 1HB TRP 45 2HB TRP 45 39.833 -2.023 -3.055
301 2HB TRP 45 1HB TRP 45 38.853 -1.935 -4.505
302 HD1 TRP 45 HD1 TRP 45 42.560 -2.031 -3.414
303 HE1 TRP 45 HE1 TRP 45 43.941 -3.055 -5.198
304 HE3 TRP 45 HE3 TRP 45 38.969 -2.440 -6.958
305 HZ2 TRP 45 HZ2 TRP 45 43.619 -3.917 -7.805
306 HZ3 TRP 45 HZ3 TRP 45 39.582 -3.398 -9.158
307 HH2 TRP 45 HH2 TRP 45 41.906 -4.134 -9.579
308 H CYS 46 H CYS 46 37.317 0.984 -3.729
309 HA CYS 46 HA CYS 46 37.821 1.421 -0.856
310 1HB CYS 46 2HB CYS 46 35.615 2.258 -2.780
311 2HB CYS 46 1HB CYS 46 35.494 2.472 -1.051
312 H CYS 47 H CYS 47 37.346 0.060 0.445
313 HA CYS 47 HA CYS 47 35.363 -2.068 -0.103
314 1HB CYS 47 2HB CYS 47 38.050 -2.132 1.196
315 2HB CYS 47 1HB CYS 47 36.995 -3.455 1.302
316 H LYS 48 H LYS 48 35.351 -3.267 2.327
317 HA LYS 48 HA LYS 48 35.143 -1.205 4.316
318 1HB LYS 48 2HB LYS 48 32.950 -1.361 4.859
319 2HB LYS 48 1HB LYS 48 32.919 -1.205 3.122
320 1HG LYS 48 2HG LYS 48 32.564 -3.712 4.752
321 2HG LYS 48 1HG LYS 48 31.386 -2.802 3.854
322 1HD LYS 48 2HD LYS 48 33.066 -3.084 1.886
323 2HD LYS 48 1HD LYS 48 33.798 -4.301 2.867
324 1HE LYS 48 2HE LYS 48 30.903 -4.425 1.891
325 2HE LYS 48 1HE LYS 48 32.186 -5.545 1.462
326 1HZ LYS 48 1HZ LYS 48 32.020 -5.419 4.243
327 2HZ LYS 48 3HZ LYS 48 30.457 -5.688 3.623
328 3HZ LYS 48 2HZ LYS 48 31.717 -6.744 3.232
329 H LYS 49 H LYS 49 34.402 -2.320 6.310
330 HA LYS 49 HA LYS 49 35.957 -4.879 6.536
331 1HB LYS 49 2HB LYS 49 34.746 -3.007 8.632
332 2HB LYS 49 1HB LYS 49 35.412 -4.570 9.073
333 1HG LYS 49 2HG LYS 49 37.577 -3.870 7.923
334 2HG LYS 49 1HG LYS 49 36.892 -2.262 7.754
335 1HD LYS 49 2HD LYS 49 36.684 -2.032 10.188
336 2HD LYS 49 1HD LYS 49 37.170 -3.701 10.433
337 1HE LYS 49 2HE LYS 49 39.402 -3.162 9.385
338 2HE LYS 49 1HE LYS 49 38.908 -1.476 9.288
339 1HZ LYS 49 3HZ LYS 49 38.446 -2.358 11.893
340 2HZ LYS 49 2HZ LYS 49 40.014 -2.836 11.458
341 3HZ LYS 49 1HZ LYS 49 39.563 -1.202 11.345
No H/Q in entry = 341
Start of MODEL 2
1 1H GLY 1 1H GLY 1 42.120 4.996 7.070
2 2H GLY 1 3H GLY 1 42.835 3.699 6.227
3 3H GLY 1 2H GLY 1 43.809 4.904 6.942
4 1HA GLY 1 2HA GLY 1 43.733 6.105 5.088
5 2HA GLY 1 1HA GLY 1 42.721 4.851 4.351
6 H VAL 2 H VAL 2 41.627 6.766 3.306
7 HA VAL 2 HA VAL 2 39.979 8.393 5.142
8 HB VAL 2 HB VAL 2 39.912 8.346 2.083
9 1HG1 VAL 2 2HG1 VAL 2 37.982 9.487 3.137
10 2HG1 VAL 2 1HG1 VAL 2 39.062 10.528 4.053
11 3HG1 VAL 2 3HG1 VAL 2 38.995 10.640 2.304
12 1HG2 VAL 2 2HG2 VAL 2 41.624 10.111 3.908
13 2HG2 VAL 2 1HG2 VAL 2 42.243 8.864 2.842
14 3HG2 VAL 2 3HG2 VAL 2 41.499 10.296 2.166
15 HA PRO 3 HA PRO 3 36.643 5.430 4.469
16 1HB PRO 3 2HB PRO 3 34.530 6.806 5.435
17 2HB PRO 3 1HB PRO 3 35.799 6.266 6.542
18 1HG PRO 3 2HG PRO 3 35.677 8.983 5.085
19 2HG PRO 3 1HG PRO 3 35.741 8.732 6.835
20 1HD PRO 3 2HD PRO 3 38.016 9.131 5.563
21 2HD PRO 3 1HD PRO 3 37.982 7.794 6.731
22 H CYS 4 H CYS 4 34.987 5.152 2.794
23 HA CYS 4 HA CYS 4 34.618 7.539 1.066
24 1HB CYS 4 2HB CYS 4 35.198 5.886 -0.925
25 2HB CYS 4 1HB CYS 4 36.453 6.716 -0.040
26 H LEU 5 H LEU 5 33.354 7.021 -0.878
27 HA LEU 5 HA LEU 5 30.861 5.607 -0.088
28 1HB LEU 5 2HB LEU 5 30.894 8.154 -0.656
29 2HB LEU 5 1HB LEU 5 31.303 7.688 -2.296
30 HG LEU 5 HG LEU 5 29.126 6.337 -2.357
31 1HD1 LEU 5 2HD1 LEU 5 28.651 7.776 0.296
32 2HD1 LEU 5 1HD1 LEU 5 27.455 6.819 -0.572
33 3HD1 LEU 5 3HD1 LEU 5 28.853 6.045 0.133
34 1HD2 LEU 5 1HD2 LEU 5 29.279 8.667 -3.264
35 2HD2 LEU 5 3HD2 LEU 5 27.687 8.367 -2.588
36 3HD2 LEU 5 2HD2 LEU 5 28.867 9.301 -1.685
37 H CYS 6 H CYS 6 29.967 4.188 -1.681
38 HA CYS 6 HA CYS 6 31.839 3.473 -3.881
39 1HB CYS 6 2HB CYS 6 30.443 1.379 -2.215
40 2HB CYS 6 1HB CYS 6 31.896 1.239 -3.152
41 H ASP 7 H ASP 7 30.761 1.213 -4.658
42 HA ASP 7 HA ASP 7 29.311 1.590 -6.852
43 1HB ASP 7 2HB ASP 7 28.563 -0.672 -6.701
44 2HB ASP 7 1HB ASP 7 29.974 -0.622 -5.672
45 H SER 8 H SER 8 27.753 1.514 -3.697
46 HA SER 8 HA SER 8 25.112 2.249 -4.820
47 1HB SER 8 2HB SER 8 25.281 0.743 -2.746
48 2HB SER 8 1HB SER 8 25.961 2.121 -1.858
49 HG SER 8 HG SER 8 24.139 3.308 -2.348
50 H ASP 9 H ASP 9 26.925 3.965 -5.600
51 HA ASP 9 HA ASP 9 26.761 6.441 -3.951
52 1HB ASP 9 2HB ASP 9 29.024 6.257 -4.472
53 2HB ASP 9 1HB ASP 9 28.793 5.280 -5.883
54 H GLY 10 H GLY 10 26.891 5.798 -7.416
55 1HA GLY 10 2HA GLY 10 25.445 6.474 -9.149
56 2HA GLY 10 1HA GLY 10 24.227 6.855 -7.917
57 HA PRO 11 HA PRO 11 26.360 10.768 -9.484
58 1HB PRO 11 2HB PRO 11 24.612 11.790 -11.273
59 2HB PRO 11 1HB PRO 11 25.641 10.427 -11.766
60 1HG PRO 11 2HG PRO 11 22.825 10.262 -10.514
61 2HG PRO 11 1HG PRO 11 23.310 9.640 -12.094
62 1HD PRO 11 2HD PRO 11 23.398 7.975 -9.977
63 2HD PRO 11 1HD PRO 11 24.768 7.964 -11.107
64 H ARG 12 H ARG 12 24.311 9.943 -7.399
65 HA ARG 12 HA ARG 12 23.367 12.685 -6.703
66 1HB ARG 12 2HB ARG 12 21.617 11.150 -7.627
67 2HB ARG 12 1HB ARG 12 21.880 10.106 -6.245
68 1HG ARG 12 2HG ARG 12 21.192 11.964 -4.709
69 2HG ARG 12 1HG ARG 12 20.997 13.027 -6.102
70 1HD ARG 12 2HD ARG 12 19.376 11.475 -7.072
71 2HD ARG 12 1HD ARG 12 19.582 10.385 -5.695
72 HE ARG 12 HE ARG 12 18.477 13.169 -5.426
73 1HH1 ARG 12 1HH2 ARG 12 18.821 12.351 -2.842
74 2HH1 ARG 12 2HH2 ARG 12 17.479 11.350 -2.423
75 1HH2 ARG 12 1HH1 ARG 12 16.195 10.431 -4.159
76 2HH2 ARG 12 2HH1 ARG 12 16.636 10.788 -5.788
77 HA PRO 13 HA PRO 13 25.813 10.470 -3.318
78 1HB PRO 13 2HB PRO 13 28.133 11.850 -3.269
79 2HB PRO 13 1HB PRO 13 27.796 10.672 -4.554
80 1HG PRO 13 2HG PRO 13 27.208 13.697 -4.626
81 2HG PRO 13 1HG PRO 13 28.260 12.802 -5.730
82 1HD PRO 13 2HD PRO 13 25.660 13.179 -6.396
83 2HD PRO 13 1HD PRO 13 26.390 11.600 -6.711
84 H ARG 14 H ARG 14 23.814 11.634 -2.605
85 HA ARG 14 HA ARG 14 23.937 14.252 -1.406
86 1HB ARG 14 2HB ARG 14 21.785 13.726 -0.396
87 2HB ARG 14 1HB ARG 14 21.791 13.110 -2.036
88 1HG ARG 14 2HG ARG 14 22.269 10.806 -1.182
89 2HG ARG 14 1HG ARG 14 22.297 11.417 0.466
90 1HD ARG 14 2HD ARG 14 19.935 12.213 0.199
91 2HD ARG 14 1HD ARG 14 19.891 11.459 -1.392
92 HE ARG 14 HE ARG 14 20.489 9.290 -0.114
93 1HH1 ARG 14 2HH1 ARG 14 20.282 11.145 2.384
94 2HH1 ARG 14 1HH1 ARG 14 18.793 10.593 3.069
95 1HH2 ARG 14 1HH2 ARG 14 17.918 8.874 0.128
96 2HH2 ARG 14 2HH2 ARG 14 17.381 9.265 1.727
97 H GLY 15 H GLY 15 24.165 14.874 0.699
98 1HA GLY 15 2HA GLY 15 25.077 14.886 2.840
99 2HA GLY 15 1HA GLY 15 24.404 13.280 2.996
100 H ASN 16 H ASN 16 26.496 12.674 0.649
101 HA ASN 16 HA ASN 16 28.580 11.575 0.625
102 1HB ASN 16 2HB ASN 16 29.336 13.977 0.882
103 2HB ASN 16 1HB ASN 16 29.289 13.778 2.627
104 1HD2 ASN 16 2HD2 ASN 16 32.571 12.485 2.596
105 2HD2 ASN 16 1HD2 ASN 16 31.383 13.346 3.459
106 H THR 17 H THR 17 27.560 9.696 1.711
107 HA THR 17 HA THR 17 28.043 9.495 4.630
108 HB THR 17 HB THR 17 25.874 8.543 3.694
109 HG1 THR 17 HG1 THR 17 26.116 7.134 5.288
110 1HG2 THR 17 2HG2 THR 17 27.685 6.354 2.527
111 2HG2 THR 17 1HG2 THR 17 25.932 6.364 2.528
112 3HG2 THR 17 3HG2 THR 17 26.807 7.517 1.543
113 H LEU 18 H LEU 18 28.845 7.319 5.329
114 HA LEU 18 HA LEU 18 31.301 6.517 3.811
115 1HB LEU 18 2HB LEU 18 31.131 6.880 6.812
116 2HB LEU 18 1HB LEU 18 32.561 6.499 5.892
117 HG LEU 18 HG LEU 18 30.970 9.117 5.677
118 1HD1 LEU 18 3HD1 LEU 18 33.628 8.493 7.028
119 2HD1 LEU 18 2HD1 LEU 18 32.932 10.097 6.871
120 3HD1 LEU 18 1HD1 LEU 18 32.127 8.877 7.838
121 1HD2 LEU 18 2HD2 LEU 18 32.203 8.576 3.550
122 2HD2 LEU 18 1HD2 LEU 18 32.861 9.976 4.355
123 3HD2 LEU 18 3HD2 LEU 18 33.693 8.437 4.443
124 H SER 19 H SER 19 30.732 4.487 3.207
125 HA SER 19 HA SER 19 29.683 2.638 5.344
126 1HB SER 19 2HB SER 19 29.310 2.380 2.320
127 2HB SER 19 1HB SER 19 28.599 1.352 3.570
128 HG SER 19 HG SER 19 28.202 3.978 4.148
129 H GLY 20 H GLY 20 32.489 3.334 3.751
130 1HA GLY 20 2HA GLY 20 33.679 0.807 4.514
131 2HA GLY 20 1HA GLY 20 33.577 1.025 2.758
132 H ILE 21 H ILE 21 36.041 0.852 3.493
133 HA ILE 21 HA ILE 21 37.047 3.687 3.604
134 HB ILE 21 HB ILE 21 38.511 1.256 4.706
135 1HG1 ILE 21 2HG1 ILE 21 36.516 1.597 6.153
136 2HG1 ILE 21 1HG1 ILE 21 37.978 2.004 7.015
137 1HG2 ILE 21 2HG2 ILE 21 39.092 4.215 5.004
138 2HG2 ILE 21 1HG2 ILE 21 39.967 2.935 5.823
139 3HG2 ILE 21 3HG2 ILE 21 40.015 3.045 4.080
140 1HD1 ILE 21 1HD1 ILE 21 37.556 4.431 6.560
141 2HD1 ILE 21 3HD1 ILE 21 36.058 3.976 5.746
142 3HD1 ILE 21 2HD1 ILE 21 36.245 3.679 7.457
143 H LEU 22 H LEU 22 38.852 4.141 2.311
144 HA LEU 22 HA LEU 22 38.948 2.536 -0.093
145 1HB LEU 22 2HB LEU 22 40.579 4.191 -0.923
146 2HB LEU 22 1HB LEU 22 39.222 4.974 -0.170
147 HG LEU 22 HG LEU 22 40.674 5.166 1.947
148 1HD1 LEU 22 3HD1 LEU 22 42.863 4.680 -0.127
149 2HD1 LEU 22 2HD1 LEU 22 43.145 5.296 1.488
150 3HD1 LEU 22 1HD1 LEU 22 42.590 3.665 1.265
151 1HD2 LEU 22 2HD2 LEU 22 40.059 7.047 0.393
152 2HD2 LEU 22 1HD2 LEU 22 41.693 7.281 0.992
153 3HD2 LEU 22 3HD2 LEU 22 41.427 6.654 -0.625
154 H TRP 23 H TRP 23 40.675 1.237 -0.941
155 HA TRP 23 HA TRP 23 42.699 0.585 1.065
156 1HB TRP 23 2HB TRP 23 40.747 -1.297 -0.186
157 2HB TRP 23 1HB TRP 23 42.361 -1.899 0.044
158 HD1 TRP 23 HD1 TRP 23 39.343 -1.055 2.230
159 HE1 TRP 23 HE1 TRP 23 40.007 -1.205 4.648
160 HE3 TRP 23 HE3 TRP 23 44.224 -1.415 1.525
161 HZ2 TRP 23 HZ2 TRP 23 42.344 -1.358 6.101
162 HZ3 TRP 23 HZ3 TRP 23 45.786 -1.499 3.422
163 HH2 TRP 23 HH2 TRP 23 44.834 -1.495 5.776
164 H PHE 24 H PHE 24 44.415 0.290 0.768
165 HA PHE 24 HA PHE 24 45.690 0.533 -1.818
166 1HB PHE 24 2HB PHE 24 46.334 0.890 1.110
167 2HB PHE 24 1HB PHE 24 47.719 0.552 0.159
168 HD1 PHE 24 HD1 PHE 24 44.651 2.652 -0.635
169 HD2 PHE 24 HD2 PHE 24 48.852 2.631 0.107
170 HE1 PHE 24 HE1 PHE 24 44.761 5.044 -1.136
171 HE2 PHE 24 HE2 PHE 24 48.945 5.031 -0.389
172 HZ PHE 24 HZ PHE 24 46.892 6.241 -1.014
173 H TYR 25 H TYR 25 44.619 -1.908 -1.801
174 HA TYR 25 HA TYR 25 46.948 -3.645 -1.319
175 1HB TYR 25 2HB TYR 25 44.123 -4.040 -0.613
176 2HB TYR 25 1HB TYR 25 44.798 -5.416 -1.431
177 HD1 TYR 25 HD2 TYR 25 45.741 -2.972 1.316
178 HD2 TYR 25 HD1 TYR 25 45.999 -6.921 -0.237
179 HE1 TYR 25 HE2 TYR 25 46.955 -3.690 3.332
180 HE2 TYR 25 HE1 TYR 25 47.203 -7.634 1.773
181 HH TYR 25 HH TYR 25 47.701 -7.033 3.960
182 HA PRO 26 HA PRO 26 46.859 -4.260 -5.674
183 1HB PRO 26 2HB PRO 26 48.873 -6.084 -5.893
184 2HB PRO 26 1HB PRO 26 49.234 -4.440 -5.337
185 1HG PRO 26 2HG PRO 26 48.592 -6.885 -3.597
186 2HG PRO 26 1HG PRO 26 50.023 -5.857 -3.519
187 1HD PRO 26 2HD PRO 26 47.922 -5.273 -1.882
188 2HD PRO 26 1HD PRO 26 48.724 -3.914 -2.691
189 H SER 27 H SER 27 46.220 -6.693 -3.326
190 HA SER 27 HA SER 27 45.173 -8.587 -5.334
191 1HB SER 27 2HB SER 27 44.802 -9.925 -3.107
192 2HB SER 27 1HB SER 27 46.482 -9.629 -3.579
193 HG SER 27 HG SER 27 45.207 -8.771 -1.425
194 H GLY 28 H GLY 28 43.993 -5.882 -4.395
195 1HA GLY 28 2HA GLY 28 41.686 -5.231 -4.731
196 2HA GLY 28 1HA GLY 28 41.175 -6.848 -4.221
197 H CYS 29 H CYS 29 40.202 -6.680 -2.179
198 HA CYS 29 HA CYS 29 41.010 -4.556 -0.372
199 1HB CYS 29 2HB CYS 29 39.059 -6.808 0.140
200 2HB CYS 29 1HB CYS 29 39.190 -5.249 0.877
201 HA PRO 30 HA PRO 30 43.575 -7.319 1.999
202 1HB PRO 30 2HB PRO 30 43.784 -6.070 4.372
203 2HB PRO 30 1HB PRO 30 44.408 -5.300 2.906
204 1HG PRO 30 2HG PRO 30 41.612 -5.060 4.031
205 2HG PRO 30 1HG PRO 30 42.729 -3.742 3.895
206 1HD PRO 30 2HD PRO 30 40.917 -4.225 1.971
207 2HD PRO 30 1HD PRO 30 42.571 -3.891 1.426
208 H SER 31 H SER 31 43.665 -8.561 3.919
209 HA SER 31 HA SER 31 41.621 -10.387 4.185
210 1HB SER 31 2HB SER 31 43.009 -10.933 6.382
211 2HB SER 31 1HB SER 31 43.856 -11.006 4.824
212 HG SER 31 HG SER 31 43.552 -8.717 6.480
213 H GLY 32 H GLY 32 39.667 -9.912 4.800
214 1HA GLY 32 2HA GLY 32 38.200 -9.800 6.844
215 2HA GLY 32 1HA GLY 32 39.216 -8.479 7.406
216 H TRP 33 H TRP 33 39.055 -7.865 4.263
217 HA TRP 33 HA TRP 33 36.662 -6.144 4.573
218 1HB TRP 33 2HB TRP 33 39.103 -5.951 2.765
219 2HB TRP 33 1HB TRP 33 37.802 -4.781 2.748
220 HD1 TRP 33 HD1 TRP 33 40.346 -6.224 5.366
221 HE1 TRP 33 HE1 TRP 33 40.864 -4.442 7.049
222 HE3 TRP 33 HE3 TRP 33 37.291 -2.693 3.569
223 HZ2 TRP 33 HZ2 TRP 33 40.103 -1.843 7.544
224 HZ3 TRP 33 HZ3 TRP 33 37.199 -0.501 4.660
225 HH2 TRP 33 HH2 TRP 33 38.640 -0.068 6.681
226 H HIS 34 H HIS 34 35.481 -5.851 2.406
227 HA HIS 34 HA HIS 34 35.792 -8.256 0.669
228 1HB HIS 34 2HB HIS 34 34.442 -8.747 2.732
229 2HB HIS 34 1HB HIS 34 33.247 -7.597 2.160
230 HD1 HIS 34 HD1 HIS 34 32.438 -8.300 -0.417
231 HD2 HIS 34 HD2 HIS 34 33.963 -11.226 2.094
232 HE1 HIS 34 HE1 HIS 34 31.657 -10.569 -1.233
233 H ASN 35 H ASN 35 36.168 -5.498 0.234
234 HA ASN 35 HA ASN 35 35.890 -3.876 -1.354
235 1HB ASN 35 2HB ASN 35 36.075 -5.861 -2.901
236 2HB ASN 35 1HB ASN 35 34.319 -6.005 -2.852
237 1HD2 ASN 35 2HD2 ASN 35 35.966 -2.981 -4.993
238 2HD2 ASN 35 1HD2 ASN 35 36.969 -3.878 -3.947
239 H CYS 36 H CYS 36 34.666 -2.214 -1.964
240 HA CYS 36 HA CYS 36 31.786 -2.297 -1.235
241 1HB CYS 36 2HB CYS 36 32.102 -0.279 -0.168
242 2HB CYS 36 1HB CYS 36 33.618 -1.043 0.193
243 H LYS 37 H LYS 37 34.303 -0.928 -3.257
244 HA LYS 37 HA LYS 37 32.183 -0.301 -5.308
245 1HB LYS 37 2HB LYS 37 33.537 1.682 -4.264
246 2HB LYS 37 1HB LYS 37 34.920 1.033 -5.095
247 1HG LYS 37 2HG LYS 37 33.597 1.164 -7.267
248 2HG LYS 37 1HG LYS 37 32.271 1.872 -6.366
249 1HD LYS 37 2HD LYS 37 33.850 3.754 -5.682
250 2HD LYS 37 1HD LYS 37 35.043 3.068 -6.768
251 1HE LYS 37 2HE LYS 37 33.313 3.247 -8.650
252 2HE LYS 37 1HE LYS 37 32.300 4.142 -7.528
253 1HZ LYS 37 2HZ LYS 37 34.874 5.221 -7.462
254 2HZ LYS 37 1HZ LYS 37 34.404 5.070 -9.087
255 3HZ LYS 37 3HZ LYS 37 33.433 5.958 -8.005
256 H ALA 38 H ALA 38 32.291 -1.794 -6.797
257 HA ALA 38 HA ALA 38 34.716 -3.415 -7.290
258 1HB ALA 38 1HB ALA 38 32.467 -4.532 -7.170
259 2HB ALA 38 3HB ALA 38 31.937 -3.575 -8.548
260 3HB ALA 38 2HB ALA 38 33.216 -4.754 -8.750
261 H HIS 39 H HIS 39 33.840 -0.507 -8.076
262 HA HIS 39 HA HIS 39 35.055 -0.660 -10.808
263 1HB HIS 39 2HB HIS 39 32.729 1.217 -10.144
264 2HB HIS 39 1HB HIS 39 33.330 0.767 -11.733
265 HD1 HIS 39 HD1 HIS 39 33.248 -2.163 -11.720
266 HD2 HIS 39 HD2 HIS 39 30.484 0.102 -9.582
267 HE1 HIS 39 HE1 HIS 39 31.248 -3.519 -11.300
268 H GLY 40 H GLY 40 36.569 -0.174 -8.663
269 1HA GLY 40 2HA GLY 40 38.402 1.498 -8.741
270 2HA GLY 40 1HA GLY 40 37.168 2.736 -8.943
271 HA PRO 41 HA PRO 41 38.206 4.338 -8.208
272 1HB PRO 41 2HB PRO 41 39.634 5.993 -6.687
273 2HB PRO 41 1HB PRO 41 37.889 5.895 -6.436
274 1HG PRO 41 2HG PRO 41 40.021 4.239 -4.959
275 2HG PRO 41 1HG PRO 41 38.830 5.307 -4.218
276 1HD PRO 41 2HD PRO 41 38.236 2.722 -4.437
277 2HD PRO 41 1HD PRO 41 36.983 3.912 -4.819
278 H ASN 42 H ASN 42 40.747 5.288 -8.468
279 HA ASN 42 HA ASN 42 42.295 2.839 -8.845
280 1HB ASN 42 2HB ASN 42 42.750 5.735 -9.829
281 2HB ASN 42 1HB ASN 42 43.755 4.371 -10.268
282 1HD2 ASN 42 2HD2 ASN 42 41.618 3.600 -12.974
283 2HD2 ASN 42 1HD2 ASN 42 43.189 3.497 -12.326
284 H ILE 43 H ILE 43 41.711 5.279 -6.729
285 HA ILE 43 HA ILE 43 44.422 5.295 -5.936
286 HB ILE 43 HB ILE 43 43.814 7.103 -4.294
287 1HG1 ILE 43 2HG1 ILE 43 40.926 6.847 -5.245
288 2HG1 ILE 43 1HG1 ILE 43 41.489 6.159 -3.733
289 1HG2 ILE 43 1HG2 ILE 43 44.270 7.717 -6.652
290 2HG2 ILE 43 3HG2 ILE 43 42.586 7.472 -7.075
291 3HG2 ILE 43 2HG2 ILE 43 43.044 8.784 -6.006
292 1HD1 ILE 43 2HD1 ILE 43 42.218 8.439 -2.986
293 2HD1 ILE 43 1HD1 ILE 43 41.614 9.119 -4.488
294 3HD1 ILE 43 3HD1 ILE 43 40.504 8.395 -3.345
295 H GLY 44 H GLY 44 42.905 3.081 -5.674
296 1HA GLY 44 2HA GLY 44 43.503 1.271 -4.053
297 2HA GLY 44 1HA GLY 44 43.059 2.358 -2.747
298 H TRP 45 H TRP 45 42.050 -0.232 -3.992
299 HA TRP 45 HA TRP 45 39.367 0.073 -4.976
300 1HB TRP 45 2HB TRP 45 40.008 -2.133 -2.982
301 2HB TRP 45 1HB TRP 45 38.930 -2.194 -4.364
302 HD1 TRP 45 HD1 TRP 45 42.674 -2.167 -3.482
303 HE1 TRP 45 HE1 TRP 45 43.992 -3.202 -5.308
304 HE3 TRP 45 HE3 TRP 45 38.920 -2.694 -6.838
305 HZ2 TRP 45 HZ2 TRP 45 43.551 -4.114 -7.893
306 HZ3 TRP 45 HZ3 TRP 45 39.447 -3.671 -9.051
307 HH2 TRP 45 HH2 TRP 45 41.749 -4.373 -9.568
308 H CYS 46 H CYS 46 37.335 0.813 -3.782
309 HA CYS 46 HA CYS 46 37.913 1.366 -0.937
310 1HB CYS 46 2HB CYS 46 36.747 3.126 -2.404
311 2HB CYS 46 1HB CYS 46 35.459 1.974 -2.649
312 H CYS 47 H CYS 47 37.278 0.161 0.477
313 HA CYS 47 HA CYS 47 35.438 -2.070 -0.135
314 1HB CYS 47 2HB CYS 47 38.063 -2.068 1.247
315 2HB CYS 47 1HB CYS 47 37.042 -3.427 1.259
316 H LYS 48 H LYS 48 35.285 -3.310 2.173
317 HA LYS 48 HA LYS 48 34.992 -1.340 4.260
318 1HB LYS 48 2HB LYS 48 32.774 -1.519 4.676
319 2HB LYS 48 1HB LYS 48 32.861 -1.256 2.955
320 1HG LYS 48 2HG LYS 48 32.341 -3.858 4.384
321 2HG LYS 48 1HG LYS 48 31.267 -2.870 3.437
322 1HD LYS 48 2HD LYS 48 33.099 -3.099 1.611
323 2HD LYS 48 1HD LYS 48 33.738 -4.364 2.595
324 1HE LYS 48 2HE LYS 48 31.009 -4.404 1.192
325 2HE LYS 48 1HE LYS 48 32.297 -5.589 1.035
326 1HZ LYS 48 3HZ LYS 48 31.541 -5.428 3.711
327 2HZ LYS 48 2HZ LYS 48 30.156 -5.650 2.754
328 3HZ LYS 48 1HZ LYS 48 31.444 -6.754 2.648
329 H LYS 49 H LYS 49 34.092 -2.424 6.129
330 HA LYS 49 HA LYS 49 35.593 -4.955 6.608
331 1HB LYS 49 2HB LYS 49 34.175 -3.003 8.466
332 2HB LYS 49 1HB LYS 49 34.819 -4.515 9.058
333 1HG LYS 49 2HG LYS 49 36.725 -2.906 7.400
334 2HG LYS 49 1HG LYS 49 36.261 -2.162 8.910
335 1HD LYS 49 2HD LYS 49 38.302 -3.520 9.207
336 2HD LYS 49 1HD LYS 49 36.996 -4.169 10.169
337 1HE LYS 49 2HE LYS 49 36.588 -5.912 8.415
338 2HE LYS 49 1HE LYS 49 37.936 -5.272 7.484
339 1HZ LYS 49 1HZ LYS 49 38.786 -5.715 10.121
340 2HZ LYS 49 3HZ LYS 49 37.974 -7.100 9.576
341 3HZ LYS 49 2HZ LYS 49 39.292 -6.486 8.695
No H/Q in entry = 341
Start of MODEL 3
1 1H GLY 1 3H GLY 1 41.488 4.189 3.372
2 2H GLY 1 2H GLY 1 43.166 4.005 3.584
3 3H GLY 1 1H GLY 1 42.096 2.767 4.024
4 1HA GLY 1 2HA GLY 1 41.931 3.591 6.071
5 2HA GLY 1 1HA GLY 1 43.074 4.850 5.618
6 H VAL 2 H VAL 2 41.331 5.955 3.604
7 HA VAL 2 HA VAL 2 39.616 7.596 5.367
8 HB VAL 2 HB VAL 2 40.074 7.846 2.355
9 1HG1 VAL 2 2HG1 VAL 2 38.185 9.203 3.177
10 2HG1 VAL 2 1HG1 VAL 2 39.229 9.970 4.370
11 3HG1 VAL 2 3HG1 VAL 2 39.498 10.228 2.659
12 1HG2 VAL 2 3HG2 VAL 2 41.697 9.161 4.584
13 2HG2 VAL 2 2HG2 VAL 2 42.290 7.918 3.498
14 3HG2 VAL 2 1HG2 VAL 2 41.875 9.495 2.869
15 HA PRO 3 HA PRO 3 35.985 5.554 3.626
16 1HB PRO 3 2HB PRO 3 34.020 7.178 4.301
17 2HB PRO 3 1HB PRO 3 34.912 6.228 5.525
18 1HG PRO 3 2HG PRO 3 35.506 9.099 4.520
19 2HG PRO 3 1HG PRO 3 35.128 8.663 6.187
20 1HD PRO 3 2HD PRO 3 37.679 8.780 5.471
21 2HD PRO 3 1HD PRO 3 37.170 7.389 6.438
22 H CYS 4 H CYS 4 35.047 5.472 1.709
23 HA CYS 4 HA CYS 4 34.777 7.941 0.074
24 1HB CYS 4 2HB CYS 4 35.267 5.952 -1.783
25 2HB CYS 4 1HB CYS 4 36.494 7.030 -1.161
26 H LEU 5 H LEU 5 33.266 7.329 -1.857
27 HA LEU 5 HA LEU 5 30.824 6.118 -0.712
28 1HB LEU 5 2HB LEU 5 31.006 8.419 -2.022
29 2HB LEU 5 1HB LEU 5 31.160 7.439 -3.458
30 HG LEU 5 HG LEU 5 28.749 7.296 -1.576
31 1HD1 LEU 5 3HD1 LEU 5 29.088 8.843 -4.175
32 2HD1 LEU 5 2HD1 LEU 5 27.589 8.682 -3.271
33 3HD1 LEU 5 1HD1 LEU 5 28.946 9.545 -2.573
34 1HD2 LEU 5 1HD2 LEU 5 29.103 6.294 -4.457
35 2HD2 LEU 5 3HD2 LEU 5 28.941 5.270 -3.053
36 3HD2 LEU 5 2HD2 LEU 5 27.610 6.258 -3.536
37 H CYS 6 H CYS 6 29.891 4.301 -1.749
38 HA CYS 6 HA CYS 6 31.606 2.940 -3.719
39 1HB CYS 6 2HB CYS 6 30.209 1.316 -1.612
40 2HB CYS 6 1HB CYS 6 31.590 1.037 -2.601
41 H ASP 7 H ASP 7 30.449 0.728 -4.161
42 HA ASP 7 HA ASP 7 28.128 1.481 -5.827
43 1HB ASP 7 2HB ASP 7 29.885 -0.030 -6.754
44 2HB ASP 7 1HB ASP 7 29.562 -1.202 -5.490
45 H SER 8 H SER 8 28.683 -1.257 -3.622
46 HA SER 8 HA SER 8 25.851 -1.613 -3.164
47 1HB SER 8 2HB SER 8 27.494 -3.455 -2.697
48 2HB SER 8 1HB SER 8 28.169 -2.527 -1.352
49 HG SER 8 HG SER 8 25.660 -2.444 -0.811
50 H ASP 9 H ASP 9 27.915 0.787 -2.178
51 HA ASP 9 HA ASP 9 27.062 1.403 0.477
52 1HB ASP 9 2HB ASP 9 29.092 2.493 -0.554
53 2HB ASP 9 1HB ASP 9 28.086 3.165 -1.792
54 H GLY 10 H GLY 10 25.641 1.767 -2.610
55 1HA GLY 10 2HA GLY 10 23.326 2.181 -3.003
56 2HA GLY 10 1HA GLY 10 23.173 2.858 -1.376
57 HA PRO 11 HA PRO 11 24.596 6.062 -4.690
58 1HB PRO 11 2HB PRO 11 22.767 6.435 -6.583
59 2HB PRO 11 1HB PRO 11 23.682 4.912 -6.612
60 1HG PRO 11 2HG PRO 11 20.973 5.440 -5.219
61 2HG PRO 11 1HG PRO 11 21.295 4.231 -6.466
62 1HD PRO 11 2HD PRO 11 21.483 3.536 -3.844
63 2HD PRO 11 1HD PRO 11 22.685 2.915 -4.990
64 H ARG 12 H ARG 12 23.476 6.358 -2.219
65 HA ARG 12 HA ARG 12 21.382 8.419 -2.409
66 1HB ARG 12 2HB ARG 12 22.400 6.649 -0.302
67 2HB ARG 12 1HB ARG 12 22.123 8.268 0.291
68 1HG ARG 12 2HG ARG 12 20.086 7.000 0.553
69 2HG ARG 12 1HG ARG 12 19.821 8.234 -0.652
70 1HD ARG 12 2HD ARG 12 20.149 6.534 -2.465
71 2HD ARG 12 1HD ARG 12 20.395 5.293 -1.241
72 HE ARG 12 HE ARG 12 17.836 6.607 -1.912
73 1HH1 ARG 12 2HH1 ARG 12 17.673 6.637 0.916
74 2HH1 ARG 12 1HH1 ARG 12 17.175 5.044 1.364
75 1HH2 ARG 12 1HH2 ARG 12 18.109 3.692 -1.737
76 2HH2 ARG 12 2HH2 ARG 12 17.434 3.319 -0.188
77 HA PRO 13 HA PRO 13 24.319 11.747 -2.403
78 1HB PRO 13 2HB PRO 13 22.683 13.854 -2.454
79 2HB PRO 13 1HB PRO 13 22.646 12.665 -3.774
80 1HG PRO 13 2HG PRO 13 20.915 12.650 -1.213
81 2HG PRO 13 1HG PRO 13 20.315 12.748 -2.869
82 1HD PRO 13 2HD PRO 13 20.536 10.329 -1.716
83 2HD PRO 13 1HD PRO 13 21.065 10.505 -3.403
84 H ARG 14 H ARG 14 24.646 10.699 -0.206
85 HA ARG 14 HA ARG 14 23.938 12.458 2.092
86 1HB ARG 14 2HB ARG 14 25.466 9.820 1.985
87 2HB ARG 14 1HB ARG 14 24.985 10.636 3.458
88 1HG ARG 14 2HG ARG 14 22.968 9.835 1.321
89 2HG ARG 14 1HG ARG 14 23.450 8.723 2.581
90 1HD ARG 14 2HD ARG 14 22.396 11.497 3.253
91 2HD ARG 14 1HD ARG 14 21.325 10.128 2.998
92 HE ARG 14 HE ARG 14 23.517 10.027 5.049
93 1HH1 ARG 14 2HH1 ARG 14 21.700 7.693 4.406
94 2HH1 ARG 14 1HH1 ARG 14 20.506 7.820 5.652
95 1HH2 ARG 14 1HH2 ARG 14 21.415 11.100 6.461
96 2HH2 ARG 14 2HH2 ARG 14 20.334 9.805 6.838
97 H GLY 15 H GLY 15 25.388 13.775 3.109
98 1HA GLY 15 2HA GLY 15 27.891 14.331 1.684
99 2HA GLY 15 1HA GLY 15 27.297 15.206 3.090
100 H ASN 16 H ASN 16 27.183 11.978 3.748
101 HA ASN 16 HA ASN 16 30.003 11.709 4.654
102 1HB ASN 16 2HB ASN 16 28.809 12.867 6.545
103 2HB ASN 16 1HB ASN 16 27.639 11.551 6.603
104 1HD2 ASN 16 2HD2 ASN 16 29.784 9.865 8.844
105 2HD2 ASN 16 1HD2 ASN 16 28.192 10.368 8.506
106 H THR 17 H THR 17 29.677 10.180 2.823
107 HA THR 17 HA THR 17 28.052 7.799 3.342
108 HB THR 17 HB THR 17 29.192 7.250 1.007
109 HG1 THR 17 HG1 THR 17 30.754 8.647 0.808
110 1HG2 THR 17 3HG2 THR 17 27.633 9.888 1.275
111 2HG2 THR 17 2HG2 THR 17 27.729 8.906 -0.173
112 3HG2 THR 17 1HG2 THR 17 26.834 8.320 1.217
113 H LEU 18 H LEU 18 29.749 7.959 5.310
114 HA LEU 18 HA LEU 18 32.275 6.600 4.839
115 1HB LEU 18 2HB LEU 18 31.508 8.168 6.874
116 2HB LEU 18 1HB LEU 18 30.852 6.686 7.539
117 HG LEU 18 HG LEU 18 33.740 7.228 6.806
118 1HD1 LEU 18 1HD1 LEU 18 32.491 6.840 9.504
119 2HD1 LEU 18 3HD1 LEU 18 34.212 6.988 9.176
120 3HD1 LEU 18 2HD1 LEU 18 33.139 8.326 8.823
121 1HD2 LEU 18 3HD2 LEU 18 32.532 4.672 7.963
122 2HD2 LEU 18 2HD2 LEU 18 33.255 4.813 6.370
123 3HD2 LEU 18 1HD2 LEU 18 34.254 4.973 7.794
124 H SER 19 H SER 19 31.288 4.962 3.499
125 HA SER 19 HA SER 19 30.383 2.599 5.107
126 1HB SER 19 2HB SER 19 28.487 3.926 3.821
127 2HB SER 19 1HB SER 19 29.224 3.162 2.400
128 HG SER 19 HG SER 19 27.524 2.013 3.845
129 H GLY 20 H GLY 20 32.939 3.504 3.715
130 1HA GLY 20 2HA GLY 20 33.719 0.919 2.673
131 2HA GLY 20 1HA GLY 20 33.492 2.084 1.376
132 H ILE 21 H ILE 21 35.922 0.905 3.393
133 HA ILE 21 HA ILE 21 37.155 3.646 3.568
134 HB ILE 21 HB ILE 21 38.282 0.989 4.500
135 1HG1 ILE 21 2HG1 ILE 21 36.107 1.303 5.669
136 2HG1 ILE 21 1HG1 ILE 21 37.384 1.596 6.819
137 1HG2 ILE 21 1HG2 ILE 21 38.942 3.821 5.308
138 2HG2 ILE 21 3HG2 ILE 21 39.639 2.377 6.027
139 3HG2 ILE 21 2HG2 ILE 21 39.924 2.741 4.335
140 1HD1 ILE 21 1HD1 ILE 21 37.122 4.068 6.473
141 2HD1 ILE 21 3HD1 ILE 21 35.804 3.759 5.357
142 3HD1 ILE 21 2HD1 ILE 21 35.643 3.318 7.046
143 H LEU 22 H LEU 22 38.835 4.184 2.123
144 HA LEU 22 HA LEU 22 39.035 2.533 -0.212
145 1HB LEU 22 2HB LEU 22 40.861 4.095 -0.927
146 2HB LEU 22 1HB LEU 22 39.436 4.938 -0.400
147 HG LEU 22 HG LEU 22 40.630 5.230 1.881
148 1HD1 LEU 22 1HD1 LEU 22 43.061 4.600 0.127
149 2HD1 LEU 22 3HD1 LEU 22 43.139 5.261 1.747
150 3HD1 LEU 22 2HD1 LEU 22 42.580 3.635 1.499
151 1HD2 LEU 22 1HD2 LEU 22 41.748 6.559 -0.631
152 2HD2 LEU 22 3HD2 LEU 22 40.304 7.064 0.217
153 3HD2 LEU 22 2HD2 LEU 22 41.874 7.238 0.982
154 H TRP 23 H TRP 23 40.790 1.212 -0.882
155 HA TRP 23 HA TRP 23 42.647 0.514 1.283
156 1HB TRP 23 2HB TRP 23 40.627 -1.267 -0.003
157 2HB TRP 23 1HB TRP 23 42.203 -2.000 0.187
158 HD1 TRP 23 HD1 TRP 23 39.279 -0.894 2.388
159 HE1 TRP 23 HE1 TRP 23 39.942 -1.154 4.811
160 HE3 TRP 23 HE3 TRP 23 44.109 -1.740 1.653
161 HZ2 TRP 23 HZ2 TRP 23 42.259 -1.586 6.244
162 HZ3 TRP 23 HZ3 TRP 23 45.648 -2.026 3.546
163 HH2 TRP 23 HH2 TRP 23 44.720 -1.972 5.896
164 H PHE 24 H PHE 24 44.408 0.049 0.990
165 HA PHE 24 HA PHE 24 45.676 0.411 -1.601
166 1HB PHE 24 2HB PHE 24 46.310 0.712 1.305
167 2HB PHE 24 1HB PHE 24 47.686 0.157 0.440
168 HD1 PHE 24 HD1 PHE 24 44.938 2.515 -0.668
169 HD2 PHE 24 HD2 PHE 24 49.048 2.112 0.393
170 HE1 PHE 24 HE1 PHE 24 45.330 4.839 -1.297
171 HE2 PHE 24 HE2 PHE 24 49.436 4.455 -0.237
172 HZ PHE 24 HZ PHE 24 47.576 5.825 -1.088
173 H TYR 25 H TYR 25 44.473 -2.120 -1.507
174 HA TYR 25 HA TYR 25 46.860 -3.862 -1.348
175 1HB TYR 25 2HB TYR 25 44.019 -4.344 -0.628
176 2HB TYR 25 1HB TYR 25 44.728 -5.632 -1.569
177 HD1 TYR 25 HD1 TYR 25 46.689 -3.442 0.658
178 HD2 TYR 25 HD2 TYR 25 44.845 -7.239 0.234
179 HE1 TYR 25 HE1 TYR 25 47.870 -4.231 2.678
180 HE2 TYR 25 HE2 TYR 25 46.032 -8.039 2.234
181 HH TYR 25 HH TYR 25 48.457 -7.125 3.452
182 HA PRO 26 HA PRO 26 46.632 -3.312 -5.528
183 1HB PRO 26 2HB PRO 26 48.499 -5.172 -6.435
184 2HB PRO 26 1HB PRO 26 48.989 -3.700 -5.584
185 1HG PRO 26 2HG PRO 26 48.366 -6.448 -4.334
186 2HG PRO 26 1HG PRO 26 49.847 -5.496 -4.149
187 1HD PRO 26 2HD PRO 26 47.931 -5.239 -2.267
188 2HD PRO 26 1HD PRO 26 48.623 -3.720 -2.874
189 H SER 27 H SER 27 45.890 -6.261 -4.030
190 HA SER 27 HA SER 27 44.640 -7.479 -6.407
191 1HB SER 27 2HB SER 27 44.369 -9.375 -4.583
192 2HB SER 27 1HB SER 27 45.999 -9.023 -5.191
193 HG SER 27 HG SER 27 45.125 -8.766 -2.722
194 H GLY 28 H GLY 28 43.647 -5.269 -4.257
195 1HA GLY 28 2HA GLY 28 41.199 -4.688 -4.559
196 2HA GLY 28 1HA GLY 28 40.857 -6.351 -4.094
197 H CYS 29 H CYS 29 40.242 -6.496 -1.997
198 HA CYS 29 HA CYS 29 41.051 -4.440 -0.084
199 1HB CYS 29 2HB CYS 29 39.181 -6.717 0.503
200 2HB CYS 29 1HB CYS 29 39.244 -5.069 1.059
201 HA PRO 30 HA PRO 30 43.588 -7.430 2.069
202 1HB PRO 30 2HB PRO 30 43.994 -6.299 4.465
203 2HB PRO 30 1HB PRO 30 44.448 -5.365 3.023
204 1HG PRO 30 2HG PRO 30 41.771 -5.372 4.413
205 2HG PRO 30 1HG PRO 30 42.810 -3.992 4.256
206 1HD PRO 30 2HD PRO 30 40.889 -4.383 2.379
207 2HD PRO 30 1HD PRO 30 42.508 -3.919 1.823
208 H SER 31 H SER 31 43.712 -8.452 4.312
209 HA SER 31 HA SER 31 41.745 -10.430 4.448
210 1HB SER 31 2HB SER 31 42.982 -10.919 6.690
211 2HB SER 31 1HB SER 31 44.010 -10.834 5.244
212 HG SER 31 HG SER 31 43.308 -8.654 6.923
213 H GLY 32 H GLY 32 39.723 -9.955 4.861
214 1HA GLY 32 2HA GLY 32 38.090 -9.874 6.765
215 2HA GLY 32 1HA GLY 32 39.036 -8.556 7.430
216 H TRP 33 H TRP 33 38.852 -8.110 4.126
217 HA TRP 33 HA TRP 33 36.487 -6.336 4.383
218 1HB TRP 33 2HB TRP 33 38.990 -6.079 2.725
219 2HB TRP 33 1HB TRP 33 37.674 -4.928 2.702
220 HD1 TRP 33 HD1 TRP 33 40.181 -6.423 5.307
221 HE1 TRP 33 HE1 TRP 33 40.702 -4.701 7.038
222 HE3 TRP 33 HE3 TRP 33 37.173 -2.767 3.620
223 HZ2 TRP 33 HZ2 TRP 33 39.995 -2.137 7.620
224 HZ3 TRP 33 HZ3 TRP 33 37.112 -0.622 4.817
225 HH2 TRP 33 HH2 TRP 33 38.558 -0.297 6.839
226 H HIS 34 H HIS 34 35.186 -6.209 2.483
227 HA HIS 34 HA HIS 34 35.676 -8.345 0.435
228 1HB HIS 34 2HB HIS 34 34.295 -9.155 2.352
229 2HB HIS 34 1HB HIS 34 33.103 -7.919 2.014
230 HD1 HIS 34 HD1 HIS 34 32.344 -8.205 -0.777
231 HD2 HIS 34 HD2 HIS 34 33.589 -11.492 1.426
232 HE1 HIS 34 HE1 HIS 34 31.492 -10.307 -1.879
233 H ASN 35 H ASN 35 36.149 -5.684 0.212
234 HA ASN 35 HA ASN 35 35.858 -3.883 -1.206
235 1HB ASN 35 2HB ASN 35 35.751 -5.650 -2.962
236 2HB ASN 35 1HB ASN 35 34.009 -5.729 -2.741
237 1HD2 ASN 35 2HD2 ASN 35 35.653 -2.435 -4.576
238 2HD2 ASN 35 1HD2 ASN 35 36.638 -3.442 -3.628
239 H CYS 36 H CYS 36 34.523 -2.221 -1.891
240 HA CYS 36 HA CYS 36 31.797 -2.114 -0.726
241 1HB CYS 36 2HB CYS 36 32.396 -0.167 0.327
242 2HB CYS 36 1HB CYS 36 33.972 -0.849 0.279
243 H LYS 37 H LYS 37 34.153 -0.703 -2.885
244 HA LYS 37 HA LYS 37 32.050 -0.348 -4.978
245 1HB LYS 37 2HB LYS 37 33.227 1.739 -3.903
246 2HB LYS 37 1HB LYS 37 34.618 1.258 -4.833
247 1HG LYS 37 2HG LYS 37 33.294 1.320 -6.925
248 2HG LYS 37 1HG LYS 37 31.859 1.763 -6.019
249 1HD LYS 37 2HD LYS 37 33.147 3.823 -5.196
250 2HD LYS 37 1HD LYS 37 34.416 3.393 -6.326
251 1HE LYS 37 2HE LYS 37 32.928 5.044 -7.363
252 2HE LYS 37 1HE LYS 37 32.735 3.516 -8.201
253 1HZ LYS 37 3HZ LYS 37 30.919 3.628 -6.037
254 2HZ LYS 37 2HZ LYS 37 30.780 5.037 -6.937
255 3HZ LYS 37 1HZ LYS 37 30.593 3.537 -7.701
256 H ALA 38 H ALA 38 32.290 -2.088 -6.226
257 HA ALA 38 HA ALA 38 34.926 -3.194 -6.897
258 1HB ALA 38 3HB ALA 38 32.156 -3.883 -7.974
259 2HB ALA 38 2HB ALA 38 33.615 -4.818 -8.249
260 3HB ALA 38 1HB ALA 38 32.948 -4.691 -6.626
261 H HIS 39 H HIS 39 34.320 -0.447 -7.579
262 HA HIS 39 HA HIS 39 34.780 -0.554 -10.526
263 1HB HIS 39 2HB HIS 39 33.195 1.640 -9.118
264 2HB HIS 39 1HB HIS 39 33.266 1.339 -10.846
265 HD1 HIS 39 HD1 HIS 39 32.783 -1.808 -10.355
266 HD2 HIS 39 HD2 HIS 39 30.512 1.373 -8.942
267 HE1 HIS 39 HE1 HIS 39 30.525 -2.614 -9.824
268 H GLY 40 H GLY 40 36.208 -0.065 -7.710
269 1HA GLY 40 2HA GLY 40 38.554 0.891 -8.046
270 2HA GLY 40 1HA GLY 40 37.726 2.340 -8.605
271 HA PRO 41 HA PRO 41 38.546 4.134 -8.002
272 1HB PRO 41 2HB PRO 41 40.049 5.854 -6.569
273 2HB PRO 41 1HB PRO 41 38.282 5.909 -6.451
274 1HG PRO 41 2HG PRO 41 40.219 4.348 -4.668
275 2HG PRO 41 1HG PRO 41 38.986 5.465 -4.118
276 1HD PRO 41 2HD PRO 41 38.345 2.954 -4.086
277 2HD PRO 41 1HD PRO 41 37.163 4.137 -4.673
278 H ASN 42 H ASN 42 41.164 4.959 -8.312
279 HA ASN 42 HA ASN 42 42.634 2.421 -8.388
280 1HB ASN 42 2HB ASN 42 44.135 3.676 -9.952
281 2HB ASN 42 1HB ASN 42 42.481 3.897 -10.516
282 1HD2 ASN 42 2HD2 ASN 42 44.509 7.187 -9.675
283 2HD2 ASN 42 1HD2 ASN 42 45.244 5.704 -10.051
284 H ILE 43 H ILE 43 42.132 5.157 -6.669
285 HA ILE 43 HA ILE 43 44.793 5.168 -5.750
286 HB ILE 43 HB ILE 43 42.540 6.878 -4.512
287 1HG1 ILE 43 2HG1 ILE 43 44.294 7.560 -6.951
288 2HG1 ILE 43 1HG1 ILE 43 42.589 7.183 -7.045
289 1HG2 ILE 43 1HG2 ILE 43 44.800 6.846 -3.352
290 2HG2 ILE 43 3HG2 ILE 43 45.557 7.413 -4.828
291 3HG2 ILE 43 2HG2 ILE 43 44.419 8.431 -3.960
292 1HD1 ILE 43 3HD1 ILE 43 42.042 9.152 -5.627
293 2HD1 ILE 43 2HD1 ILE 43 43.743 9.582 -5.571
294 3HD1 ILE 43 1HD1 ILE 43 42.888 9.604 -7.094
295 H GLY 44 H GLY 44 43.253 3.004 -5.401
296 1HA GLY 44 2HA GLY 44 43.610 1.318 -3.625
297 2HA GLY 44 1HA GLY 44 43.104 2.515 -2.434
298 H TRP 45 H TRP 45 42.072 -0.091 -3.894
299 HA TRP 45 HA TRP 45 39.458 0.450 -4.970
300 1HB TRP 45 2HB TRP 45 39.829 -1.952 -3.159
301 2HB TRP 45 1HB TRP 45 38.909 -1.845 -4.652
302 HD1 TRP 45 HD1 TRP 45 42.560 -1.931 -3.405
303 HE1 TRP 45 HE1 TRP 45 44.034 -2.927 -5.118
304 HE3 TRP 45 HE3 TRP 45 39.144 -2.404 -7.129
305 HZ2 TRP 45 HZ2 TRP 45 43.856 -3.800 -7.723
306 HZ3 TRP 45 HZ3 TRP 45 39.895 -3.366 -9.290
307 HH2 TRP 45 HH2 TRP 45 42.249 -4.058 -9.582
308 H CYS 46 H CYS 46 37.323 0.964 -3.827
309 HA CYS 46 HA CYS 46 37.842 1.469 -0.970
310 1HB CYS 46 2HB CYS 46 36.676 3.081 -2.639
311 2HB CYS 46 1HB CYS 46 35.368 1.952 -2.593
312 H CYS 47 H CYS 47 37.371 0.137 0.455
313 HA CYS 47 HA CYS 47 35.536 -2.131 -0.079
314 1HB CYS 47 2HB CYS 47 38.246 -2.037 1.160
315 2HB CYS 47 1HB CYS 47 37.215 -3.394 1.311
316 H LYS 48 H LYS 48 35.206 -3.447 1.960
317 HA LYS 48 HA LYS 48 35.109 -1.740 4.212
318 1HB LYS 48 2HB LYS 48 33.103 -1.260 2.649
319 2HB LYS 48 1HB LYS 48 32.571 -2.907 2.930
320 1HG LYS 48 2HG LYS 48 31.453 -1.193 4.326
321 2HG LYS 48 1HG LYS 48 32.262 -2.452 5.266
322 1HD LYS 48 2HD LYS 48 34.116 -1.059 5.721
323 2HD LYS 48 1HD LYS 48 33.718 0.074 4.477
324 1HE LYS 48 2HE LYS 48 31.686 0.762 5.868
325 2HE LYS 48 1HE LYS 48 32.174 -0.388 7.104
326 1HZ LYS 48 1HZ LYS 48 34.366 1.248 6.477
327 2HZ LYS 48 3HZ LYS 48 33.012 2.233 6.763
328 3HZ LYS 48 2HZ LYS 48 33.520 1.120 7.937
329 H LYS 49 H LYS 49 34.572 -2.722 6.017
330 HA LYS 49 HA LYS 49 35.505 -5.525 6.167
331 1HB LYS 49 2HB LYS 49 34.503 -3.763 8.440
332 2HB LYS 49 1HB LYS 49 35.396 -5.270 8.563
333 1HG LYS 49 2HG LYS 49 37.257 -4.197 7.236
334 2HG LYS 49 1HG LYS 49 36.377 -2.685 7.266
335 1HD LYS 49 2HD LYS 49 37.906 -2.395 9.027
336 2HD LYS 49 1HD LYS 49 36.461 -2.912 9.869
337 1HE LYS 49 2HE LYS 49 38.643 -4.856 9.007
338 2HE LYS 49 1HE LYS 49 38.603 -4.094 10.589
339 1HZ LYS 49 2HZ LYS 49 36.081 -5.152 10.116
340 2HZ LYS 49 1HZ LYS 49 37.213 -6.351 9.703
341 3HZ LYS 49 3HZ LYS 49 37.228 -5.648 11.249
No H/Q in entry = 341
Start of MODEL 4
1 1H GLY 1 3H GLY 1 42.672 6.411 7.364
2 2H GLY 1 2H GLY 1 43.318 4.846 7.244
3 3H GLY 1 1H GLY 1 44.123 6.154 6.516
4 1HA GLY 1 2HA GLY 1 42.992 5.842 4.642
5 2HA GLY 1 1HA GLY 1 42.120 4.514 5.419
6 H VAL 2 H VAL 2 41.083 6.624 3.584
7 HA VAL 2 HA VAL 2 39.231 8.101 5.386
8 HB VAL 2 HB VAL 2 39.373 8.319 2.341
9 1HG1 VAL 2 2HG1 VAL 2 37.440 9.423 3.397
10 2HG1 VAL 2 1HG1 VAL 2 38.519 10.358 4.428
11 3HG1 VAL 2 3HG1 VAL 2 38.531 10.593 2.687
12 1HG2 VAL 2 3HG2 VAL 2 41.081 9.880 4.331
13 2HG2 VAL 2 2HG2 VAL 2 41.692 8.710 3.176
14 3HG2 VAL 2 1HG2 VAL 2 40.978 10.200 2.606
15 HA PRO 3 HA PRO 3 35.997 5.399 3.735
16 1HB PRO 3 2HB PRO 3 33.788 6.457 4.726
17 2HB PRO 3 1HB PRO 3 34.980 5.652 5.756
18 1HG PRO 3 2HG PRO 3 34.806 8.688 5.074
19 2HG PRO 3 1HG PRO 3 34.753 8.000 6.700
20 1HD PRO 3 2HD PRO 3 37.125 8.824 5.638
21 2HD PRO 3 1HD PRO 3 37.057 7.373 6.649
22 H CYS 4 H CYS 4 35.495 5.472 1.733
23 HA CYS 4 HA CYS 4 34.844 8.072 0.415
24 1HB CYS 4 2HB CYS 4 35.339 6.308 -1.649
25 2HB CYS 4 1HB CYS 4 36.525 7.333 -0.903
26 H LEU 5 H LEU 5 33.528 7.331 -1.809
27 HA LEU 5 HA LEU 5 30.947 6.313 -0.745
28 1HB LEU 5 2HB LEU 5 31.146 8.566 -2.096
29 2HB LEU 5 1HB LEU 5 31.449 7.564 -3.498
30 HG LEU 5 HG LEU 5 29.189 6.299 -2.531
31 1HD1 LEU 5 1HD1 LEU 5 29.041 7.877 -0.614
32 2HD1 LEU 5 3HD1 LEU 5 28.844 9.213 -1.733
33 3HD1 LEU 5 2HD1 LEU 5 27.620 7.951 -1.635
34 1HD2 LEU 5 2HD2 LEU 5 29.490 7.123 -4.826
35 2HD2 LEU 5 1HD2 LEU 5 27.909 7.510 -4.206
36 3HD2 LEU 5 3HD2 LEU 5 29.144 8.761 -4.300
37 H CYS 6 H CYS 6 29.897 4.613 -1.986
38 HA CYS 6 HA CYS 6 31.709 3.181 -3.813
39 1HB CYS 6 2HB CYS 6 30.135 1.457 -1.932
40 2HB CYS 6 1HB CYS 6 31.638 1.280 -2.732
41 H ASP 7 H ASP 7 30.477 1.025 -4.357
42 HA ASP 7 HA ASP 7 28.408 1.905 -6.220
43 1HB ASP 7 2HB ASP 7 29.988 0.229 -6.993
44 2HB ASP 7 1HB ASP 7 29.684 -0.807 -5.616
45 H SER 8 H SER 8 28.439 -0.705 -3.811
46 HA SER 8 HA SER 8 25.508 -0.395 -3.507
47 1HB SER 8 2HB SER 8 26.050 -2.640 -2.124
48 2HB SER 8 1HB SER 8 26.108 -2.698 -3.893
49 HG SER 8 HG SER 8 28.177 -2.906 -2.122
50 H ASP 9 H ASP 9 27.343 1.520 -2.539
51 HA ASP 9 HA ASP 9 27.692 1.235 0.331
52 1HB ASP 9 2HB ASP 9 29.282 2.614 -0.642
53 2HB ASP 9 1HB ASP 9 28.218 3.397 -1.763
54 H GLY 10 H GLY 10 25.355 0.539 0.357
55 1HA GLY 10 2HA GLY 10 23.380 0.972 1.593
56 2HA GLY 10 1HA GLY 10 23.762 2.704 1.554
57 HA PRO 11 HA PRO 11 20.765 1.880 -2.009
58 1HB PRO 11 2HB PRO 11 18.289 1.862 -0.979
59 2HB PRO 11 1HB PRO 11 19.255 0.377 -0.890
60 1HG PRO 11 2HG PRO 11 19.081 2.615 1.229
61 2HG PRO 11 1HG PRO 11 18.667 0.912 1.455
62 1HD PRO 11 2HD PRO 11 21.170 1.741 2.079
63 2HD PRO 11 1HD PRO 11 20.969 0.201 1.222
64 H ARG 12 H ARG 12 22.060 4.097 -0.472
65 HA ARG 12 HA ARG 12 20.014 6.222 -0.862
66 1HB ARG 12 2HB ARG 12 22.256 5.957 1.002
67 2HB ARG 12 1HB ARG 12 21.816 7.578 0.475
68 1HG ARG 12 2HG ARG 12 19.386 6.948 1.054
69 2HG ARG 12 1HG ARG 12 20.032 5.479 1.771
70 1HD ARG 12 2HD ARG 12 19.767 7.185 3.460
71 2HD ARG 12 1HD ARG 12 21.489 6.848 3.209
72 HE ARG 12 HE ARG 12 21.659 8.986 1.966
73 1HH1 ARG 12 2HH1 ARG 12 18.437 8.620 2.008
74 2HH1 ARG 12 1HH1 ARG 12 18.032 10.142 2.723
75 1HH2 ARG 12 1HH2 ARG 12 21.374 10.776 3.606
76 2HH2 ARG 12 2HH2 ARG 12 19.764 11.426 3.672
77 HA PRO 13 HA PRO 13 22.594 8.048 -4.058
78 1HB PRO 13 2HB PRO 13 21.296 10.350 -4.452
79 2HB PRO 13 1HB PRO 13 20.533 8.799 -4.868
80 1HG PRO 13 2HG PRO 13 20.311 10.331 -2.199
81 2HG PRO 13 1HG PRO 13 18.969 9.902 -3.270
82 1HD PRO 13 2HD PRO 13 19.610 8.255 -1.259
83 2HD PRO 13 1HD PRO 13 19.244 7.531 -2.842
84 H ARG 14 H ARG 14 23.966 7.919 -2.040
85 HA ARG 14 HA ARG 14 25.691 8.889 -0.756
86 1HB ARG 14 2HB ARG 14 25.302 11.384 -2.439
87 2HB ARG 14 1HB ARG 14 26.775 10.738 -1.745
88 1HG ARG 14 2HG ARG 14 26.646 8.774 -3.266
89 2HG ARG 14 1HG ARG 14 25.222 9.449 -4.017
90 1HD ARG 14 2HD ARG 14 27.897 10.877 -3.936
91 2HD ARG 14 1HD ARG 14 27.238 10.018 -5.327
92 HE ARG 14 HE ARG 14 25.782 12.319 -4.068
93 1HH1 ARG 14 1HH2 ARG 14 24.013 12.010 -5.869
94 2HH1 ARG 14 2HH2 ARG 14 24.615 12.447 -7.430
95 1HH2 ARG 14 2HH1 ARG 14 27.968 12.228 -6.353
96 2HH2 ARG 14 1HH1 ARG 14 26.961 12.566 -7.717
97 H GLY 15 H GLY 15 25.838 11.818 -0.493
98 1HA GLY 15 2HA GLY 15 25.009 13.561 0.909
99 2HA GLY 15 1HA GLY 15 23.655 12.518 1.358
100 H ASN 16 H ASN 16 24.636 10.374 2.420
101 HA ASN 16 HA ASN 16 26.890 10.932 4.237
102 1HB ASN 16 2HB ASN 16 25.510 10.702 6.322
103 2HB ASN 16 1HB ASN 16 25.057 12.126 5.398
104 1HD2 ASN 16 2HD2 ASN 16 22.026 10.059 6.385
105 2HD2 ASN 16 1HD2 ASN 16 23.344 10.592 7.321
106 H THR 17 H THR 17 26.897 9.067 2.437
107 HA THR 17 HA THR 17 26.264 6.503 3.807
108 HB THR 17 HB THR 17 26.221 5.624 1.376
109 HG1 THR 17 HG1 THR 17 27.476 7.089 0.463
110 1HG2 THR 17 1HG2 THR 17 24.483 8.126 1.791
111 2HG2 THR 17 3HG2 THR 17 24.167 6.795 0.695
112 3HG2 THR 17 2HG2 THR 17 24.055 6.551 2.437
113 H LEU 18 H LEU 18 28.202 6.433 4.945
114 HA LEU 18 HA LEU 18 30.742 6.042 3.378
115 1HB LEU 18 2HB LEU 18 30.301 7.098 6.222
116 2HB LEU 18 1HB LEU 18 31.867 6.821 5.512
117 HG LEU 18 HG LEU 18 29.819 8.742 4.296
118 1HD1 LEU 18 1HD1 LEU 18 32.218 9.357 6.093
119 2HD1 LEU 18 3HD1 LEU 18 31.227 10.567 5.293
120 3HD1 LEU 18 2HD1 LEU 18 30.537 9.553 6.545
121 1HD2 LEU 18 3HD2 LEU 18 32.818 8.346 3.816
122 2HD2 LEU 18 2HD2 LEU 18 31.548 7.882 2.702
123 3HD2 LEU 18 1HD2 LEU 18 31.835 9.574 3.053
124 H SER 19 H SER 19 29.793 3.908 3.122
125 HA SER 19 HA SER 19 29.953 2.242 5.596
126 1HB SER 19 2HB SER 19 27.947 2.213 3.913
127 2HB SER 19 1HB SER 19 29.016 1.255 2.874
128 HG SER 19 HG SER 19 27.741 0.487 5.163
129 H GLY 20 H GLY 20 32.485 3.050 4.834
130 1HA GLY 20 2HA GLY 20 33.961 0.678 4.842
131 2HA GLY 20 1HA GLY 20 33.739 1.020 3.133
132 H ILE 21 H ILE 21 36.217 0.872 3.534
133 HA ILE 21 HA ILE 21 37.251 3.663 3.762
134 HB ILE 21 HB ILE 21 38.391 1.151 5.057
135 1HG1 ILE 21 2HG1 ILE 21 36.822 2.489 6.452
136 2HG1 ILE 21 1HG1 ILE 21 38.431 2.432 7.140
137 1HG2 ILE 21 1HG2 ILE 21 39.912 3.723 4.579
138 2HG2 ILE 21 3HG2 ILE 21 40.447 2.435 5.647
139 3HG2 ILE 21 2HG2 ILE 21 40.296 2.136 3.936
140 1HD1 ILE 21 3HD1 ILE 21 38.910 4.702 6.136
141 2HD1 ILE 21 2HD1 ILE 21 37.275 4.714 5.491
142 3HD1 ILE 21 1HD1 ILE 21 37.539 4.743 7.204
143 H LEU 22 H LEU 22 38.979 4.109 2.431
144 HA LEU 22 HA LEU 22 39.017 2.581 -0.011
145 1HB LEU 22 2HB LEU 22 40.458 4.350 -0.813
146 2HB LEU 22 1HB LEU 22 39.312 5.061 0.294
147 HG LEU 22 HG LEU 22 41.163 4.763 2.098
148 1HD1 LEU 22 1HD1 LEU 22 42.822 4.729 -0.473
149 2HD1 LEU 22 3HD1 LEU 22 43.474 4.983 1.139
150 3HD1 LEU 22 2HD1 LEU 22 42.776 3.446 0.716
151 1HD2 LEU 22 1HD2 LEU 22 41.392 6.798 -0.178
152 2HD2 LEU 22 3HD2 LEU 22 40.320 6.933 1.197
153 3HD2 LEU 22 2HD2 LEU 22 42.059 7.044 1.430
154 H TRP 23 H TRP 23 40.673 1.258 -0.925
155 HA TRP 23 HA TRP 23 42.737 0.459 0.984
156 1HB TRP 23 2HB TRP 23 40.678 -1.290 -0.274
157 2HB TRP 23 1HB TRP 23 42.273 -1.972 -0.137
158 HD1 TRP 23 HD1 TRP 23 39.375 -1.118 2.182
159 HE1 TRP 23 HE1 TRP 23 40.108 -1.435 4.562
160 HE3 TRP 23 HE3 TRP 23 44.214 -1.609 1.291
161 HZ2 TRP 23 HZ2 TRP 23 42.506 -1.750 5.929
162 HZ3 TRP 23 HZ3 TRP 23 45.833 -1.850 3.122
163 HH2 TRP 23 HH2 TRP 23 44.971 -1.950 5.502
164 H PHE 24 H PHE 24 44.458 0.141 0.599
165 HA PHE 24 HA PHE 24 45.643 0.390 -2.050
166 1HB PHE 24 2HB PHE 24 46.386 0.788 0.829
167 2HB PHE 24 1HB PHE 24 47.732 0.286 -0.110
168 HD1 PHE 24 HD1 PHE 24 44.786 2.646 -0.430
169 HD2 PHE 24 HD2 PHE 24 48.986 2.131 -0.960
170 HE1 PHE 24 HE1 PHE 24 44.984 4.974 -1.173
171 HE2 PHE 24 HE2 PHE 24 49.178 4.468 -1.699
172 HZ PHE 24 HZ PHE 24 47.170 5.892 -1.805
173 H TYR 25 H TYR 25 44.464 -2.019 -2.011
174 HA TYR 25 HA TYR 25 46.736 -3.864 -1.653
175 1HB TYR 25 2HB TYR 25 43.966 -4.132 -0.737
176 2HB TYR 25 1HB TYR 25 44.515 -5.550 -1.592
177 HD1 TYR 25 HD2 TYR 25 45.703 -3.123 1.034
178 HD2 TYR 25 HD1 TYR 25 45.873 -7.070 -0.510
179 HE1 TYR 25 HE2 TYR 25 47.074 -3.806 2.954
180 HE2 TYR 25 HE1 TYR 25 47.236 -7.764 1.412
181 HH TYR 25 HH TYR 25 48.449 -7.009 3.273
182 HA PRO 26 HA PRO 26 46.422 -4.409 -6.000
183 1HB PRO 26 2HB PRO 26 48.315 -6.372 -6.335
184 2HB PRO 26 1HB PRO 26 48.776 -4.721 -5.890
185 1HG PRO 26 2HG PRO 26 48.196 -7.069 -3.984
186 2HG PRO 26 1HG PRO 26 49.665 -6.091 -4.059
187 1HD PRO 26 2HD PRO 26 47.751 -5.388 -2.290
188 2HD PRO 26 1HD PRO 26 48.463 -4.063 -3.232
189 H SER 27 H SER 27 45.723 -6.765 -3.666
190 HA SER 27 HA SER 27 44.501 -8.652 -5.568
191 1HB SER 27 2HB SER 27 44.129 -9.858 -3.249
192 2HB SER 27 1HB SER 27 45.799 -9.708 -3.826
193 HG SER 27 HG SER 27 44.665 -8.611 -1.677
194 H GLY 28 H GLY 28 43.556 -5.825 -4.406
195 1HA GLY 28 2HA GLY 28 41.298 -5.014 -4.718
196 2HA GLY 28 1HA GLY 28 40.673 -6.601 -4.244
197 H CYS 29 H CYS 29 40.098 -6.791 -2.098
198 HA CYS 29 HA CYS 29 40.891 -4.674 -0.248
199 1HB CYS 29 2HB CYS 29 38.958 -6.932 0.276
200 2HB CYS 29 1HB CYS 29 39.085 -5.354 0.971
201 HA PRO 30 HA PRO 30 43.566 -7.599 1.786
202 1HB PRO 30 2HB PRO 30 44.099 -6.403 4.134
203 2HB PRO 30 1HB PRO 30 44.572 -5.626 2.613
204 1HG PRO 30 2HG PRO 30 41.974 -5.273 4.106
205 2HG PRO 30 1HG PRO 30 43.121 -4.020 3.774
206 1HD PRO 30 2HD PRO 30 41.043 -4.409 2.094
207 2HD PRO 30 1HD PRO 30 42.637 -4.112 1.374
208 H SER 31 H SER 31 43.831 -8.682 3.906
209 HA SER 31 HA SER 31 41.834 -10.540 4.318
210 1HB SER 31 2HB SER 31 43.269 -10.965 6.477
211 2HB SER 31 1HB SER 31 44.138 -11.021 4.932
212 HG SER 31 HG SER 31 43.694 -8.670 6.467
213 H GLY 32 H GLY 32 39.855 -10.008 4.925
214 1HA GLY 32 2HA GLY 32 38.428 -9.796 6.982
215 2HA GLY 32 1HA GLY 32 39.508 -8.528 7.523
216 H TRP 33 H TRP 33 39.112 -7.991 4.314
217 HA TRP 33 HA TRP 33 36.871 -6.118 4.821
218 1HB TRP 33 2HB TRP 33 39.175 -6.035 2.847
219 2HB TRP 33 1HB TRP 33 37.912 -4.829 2.912
220 HD1 TRP 33 HD1 TRP 33 40.612 -6.316 5.342
221 HE1 TRP 33 HE1 TRP 33 41.250 -4.553 6.987
222 HE3 TRP 33 HE3 TRP 33 37.454 -2.796 3.760
223 HZ2 TRP 33 HZ2 TRP 33 40.512 -1.908 7.537
224 HZ3 TRP 33 HZ3 TRP 33 37.414 -0.618 4.825
225 HH2 TRP 33 HH2 TRP 33 38.981 -0.145 6.761
226 H HIS 34 H HIS 34 35.553 -5.703 2.773
227 HA HIS 34 HA HIS 34 35.626 -8.078 0.963
228 1HB HIS 34 2HB HIS 34 34.350 -8.672 2.998
229 2HB HIS 34 1HB HIS 34 33.225 -7.369 2.650
230 HD1 HIS 34 HD1 HIS 34 34.571 -10.462 0.937
231 HD2 HIS 34 HD2 HIS 34 31.130 -8.134 1.094
232 HE1 HIS 34 HE1 HIS 34 32.806 -11.536 -0.457
233 H ASN 35 H ASN 35 36.060 -5.361 0.341
234 HA ASN 35 HA ASN 35 35.666 -3.880 -1.344
235 1HB ASN 35 2HB ASN 35 35.579 -5.636 -2.929
236 2HB ASN 35 1HB ASN 35 34.050 -6.253 -2.346
237 1HD2 ASN 35 2HD2 ASN 35 32.166 -3.727 -4.139
238 2HD2 ASN 35 1HD2 ASN 35 32.157 -4.500 -2.617
239 H CYS 36 H CYS 36 34.558 -2.110 -1.765
240 HA CYS 36 HA CYS 36 31.745 -1.928 -0.802
241 1HB CYS 36 2HB CYS 36 32.350 -0.064 0.339
242 2HB CYS 36 1HB CYS 36 33.952 -0.664 0.250
243 H LYS 37 H LYS 37 34.224 -0.916 -3.067
244 HA LYS 37 HA LYS 37 32.139 -0.605 -5.166
245 1HB LYS 37 2HB LYS 37 33.077 1.638 -4.113
246 2HB LYS 37 1HB LYS 37 34.511 1.279 -5.037
247 1HG LYS 37 2HG LYS 37 33.216 1.165 -7.118
248 2HG LYS 37 1HG LYS 37 31.718 1.383 -6.233
249 1HD LYS 37 2HD LYS 37 32.809 3.638 -5.395
250 2HD LYS 37 1HD LYS 37 33.932 3.381 -6.710
251 1HE LYS 37 2HE LYS 37 32.189 3.453 -8.365
252 2HE LYS 37 1HE LYS 37 30.925 3.315 -7.149
253 1HZ LYS 37 3HZ LYS 37 32.519 5.494 -6.490
254 2HZ LYS 37 2HZ LYS 37 32.143 5.612 -8.143
255 3HZ LYS 37 1HZ LYS 37 30.897 5.478 -6.983
256 H ALA 38 H ALA 38 32.597 -1.914 -6.778
257 HA ALA 38 HA ALA 38 35.384 -2.875 -7.204
258 1HB ALA 38 2HB ALA 38 32.740 -3.881 -8.399
259 2HB ALA 38 1HB ALA 38 34.318 -4.629 -8.604
260 3HB ALA 38 3HB ALA 38 33.564 -4.610 -7.017
261 H HIS 39 H HIS 39 34.540 -0.239 -7.765
262 HA HIS 39 HA HIS 39 35.013 -0.142 -10.723
263 1HB HIS 39 2HB HIS 39 33.185 1.808 -9.249
264 2HB HIS 39 1HB HIS 39 33.261 1.553 -10.983
265 HD1 HIS 39 HD1 HIS 39 33.037 -1.640 -10.573
266 HD2 HIS 39 HD2 HIS 39 30.555 1.307 -9.023
267 HE1 HIS 39 HE1 HIS 39 30.875 -2.640 -10.020
268 H GLY 40 H GLY 40 36.959 -0.143 -8.909
269 1HA GLY 40 2HA GLY 40 38.969 1.126 -8.610
270 2HA GLY 40 1HA GLY 40 38.106 2.558 -9.193
271 HA PRO 41 HA PRO 41 38.755 4.390 -8.341
272 1HB PRO 41 2HB PRO 41 40.192 6.021 -6.727
273 2HB PRO 41 1HB PRO 41 38.421 6.013 -6.625
274 1HG PRO 41 2HG PRO 41 40.365 4.260 -5.007
275 2HG PRO 41 1HG PRO 41 39.208 5.409 -4.333
276 1HD PRO 41 2HD PRO 41 38.429 2.904 -4.531
277 2HD PRO 41 1HD PRO 41 37.313 4.166 -5.074
278 H ASN 42 H ASN 42 41.270 5.307 -8.407
279 HA ASN 42 HA ASN 42 42.875 2.868 -8.744
280 1HB ASN 42 2HB ASN 42 43.425 5.770 -9.636
281 2HB ASN 42 1HB ASN 42 44.339 4.349 -10.116
282 1HD2 ASN 42 2HD2 ASN 42 41.474 5.295 -12.542
283 2HD2 ASN 42 1HD2 ASN 42 42.437 6.373 -11.649
284 H ILE 43 H ILE 43 42.181 5.382 -6.773
285 HA ILE 43 HA ILE 43 44.769 5.373 -5.680
286 HB ILE 43 HB ILE 43 42.381 7.005 -4.577
287 1HG1 ILE 43 2HG1 ILE 43 44.394 7.803 -6.776
288 2HG1 ILE 43 1HG1 ILE 43 42.717 7.414 -7.078
289 1HG2 ILE 43 1HG2 ILE 43 44.502 6.951 -3.176
290 2HG2 ILE 43 3HG2 ILE 43 45.405 7.584 -4.535
291 3HG2 ILE 43 2HG2 ILE 43 44.165 8.556 -3.763
292 1HD1 ILE 43 1HD1 ILE 43 41.987 9.333 -5.674
293 2HD1 ILE 43 3HD1 ILE 43 43.664 9.763 -5.388
294 3HD1 ILE 43 2HD1 ILE 43 43.005 9.847 -7.004
295 H GLY 44 H GLY 44 43.239 3.173 -5.552
296 1HA GLY 44 2HA GLY 44 43.502 1.389 -3.880
297 2HA GLY 44 1HA GLY 44 43.085 2.530 -2.620
298 H TRP 45 H TRP 45 41.974 0.017 -4.226
299 HA TRP 45 HA TRP 45 39.302 0.494 -5.077
300 1HB TRP 45 2HB TRP 45 39.713 -1.880 -3.246
301 2HB TRP 45 1HB TRP 45 38.759 -1.781 -4.703
302 HD1 TRP 45 HD1 TRP 45 42.497 -1.887 -3.651
303 HE1 TRP 45 HE1 TRP 45 43.791 -3.171 -5.339
304 HE3 TRP 45 HE3 TRP 45 38.767 -2.649 -6.977
305 HZ2 TRP 45 HZ2 TRP 45 43.336 -4.353 -7.802
306 HZ3 TRP 45 HZ3 TRP 45 39.264 -3.907 -9.045
307 HH2 TRP 45 HH2 TRP 45 41.546 -4.751 -9.457
308 H CYS 46 H CYS 46 37.284 1.089 -3.797
309 HA CYS 46 HA CYS 46 37.937 1.473 -0.939
310 1HB CYS 46 2HB CYS 46 35.558 2.259 -2.660
311 2HB CYS 46 1HB CYS 46 35.672 2.553 -0.943
312 H CYS 47 H CYS 47 37.427 0.137 0.478
313 HA CYS 47 HA CYS 47 35.449 -1.978 -0.092
314 1HB CYS 47 2HB CYS 47 38.174 -2.108 1.093
315 2HB CYS 47 1HB CYS 47 37.116 -3.411 1.298
316 H LYS 48 H LYS 48 35.404 -3.322 2.232
317 HA LYS 48 HA LYS 48 35.320 -1.378 4.344
318 1HB LYS 48 2HB LYS 48 33.125 -1.384 4.859
319 2HB LYS 48 1HB LYS 48 33.123 -1.232 3.119
320 1HG LYS 48 2HG LYS 48 32.558 -3.718 4.741
321 2HG LYS 48 1HG LYS 48 31.475 -2.726 3.800
322 1HD LYS 48 2HD LYS 48 33.158 -3.130 1.886
323 2HD LYS 48 1HD LYS 48 33.803 -4.384 2.879
324 1HE LYS 48 2HE LYS 48 30.888 -4.338 1.921
325 2HE LYS 48 1HE LYS 48 32.103 -5.492 1.410
326 1HZ LYS 48 1HZ LYS 48 32.017 -5.538 4.187
327 2HZ LYS 48 3HZ LYS 48 30.418 -5.611 3.605
328 3HZ LYS 48 2HZ LYS 48 31.557 -6.767 3.105
329 H LYS 49 H LYS 49 34.473 -2.429 6.294
330 HA LYS 49 HA LYS 49 35.844 -5.076 6.582
331 1HB LYS 49 2HB LYS 49 34.702 -3.152 8.659
332 2HB LYS 49 1HB LYS 49 35.381 -4.718 9.072
333 1HG LYS 49 2HG LYS 49 37.513 -4.015 7.868
334 2HG LYS 49 1HG LYS 49 36.814 -2.410 7.699
335 1HD LYS 49 2HD LYS 49 36.607 -2.212 10.155
336 2HD LYS 49 1HD LYS 49 37.219 -3.846 10.359
337 1HE LYS 49 2HE LYS 49 39.365 -3.152 9.264
338 2HE LYS 49 1HE LYS 49 38.747 -1.505 9.162
339 1HZ LYS 49 3HZ LYS 49 38.414 -2.405 11.783
340 2HZ LYS 49 2HZ LYS 49 40.006 -2.753 11.302
341 3HZ LYS 49 1HZ LYS 49 39.409 -1.160 11.195
No H/Q in entry = 341
Start of MODEL 5
1 1H GLY 1 1H GLY 1 42.093 5.952 8.171
2 2H GLY 1 3H GLY 1 42.652 4.357 7.989
3 3H GLY 1 2H GLY 1 43.676 5.658 7.612
4 1HA GLY 1 2HA GLY 1 42.958 5.667 5.533
5 2HA GLY 1 1HA GLY 1 41.885 4.319 5.921
6 H VAL 2 H VAL 2 41.201 6.305 4.104
7 HA VAL 2 HA VAL 2 39.269 8.064 5.487
8 HB VAL 2 HB VAL 2 39.860 7.943 2.507
9 1HG1 VAL 2 3HG1 VAL 2 37.876 9.267 3.118
10 2HG1 VAL 2 2HG1 VAL 2 38.841 10.229 4.231
11 3HG1 VAL 2 1HG1 VAL 2 39.145 10.307 2.507
12 1HG2 VAL 2 3HG2 VAL 2 41.354 9.603 4.590
13 2HG2 VAL 2 2HG2 VAL 2 42.048 8.289 3.660
14 3HG2 VAL 2 1HG2 VAL 2 41.554 9.756 2.853
15 HA PRO 3 HA PRO 3 35.986 5.390 3.929
16 1HB PRO 3 2HB PRO 3 33.801 6.678 4.818
17 2HB PRO 3 1HB PRO 3 34.987 5.994 5.924
18 1HG PRO 3 2HG PRO 3 34.994 8.866 4.778
19 2HG PRO 3 1HG PRO 3 34.846 8.437 6.487
20 1HD PRO 3 2HD PRO 3 37.275 8.938 5.456
21 2HD PRO 3 1HD PRO 3 37.082 7.605 6.613
22 H CYS 4 H CYS 4 35.089 5.180 1.999
23 HA CYS 4 HA CYS 4 34.664 7.655 0.369
24 1HB CYS 4 2HB CYS 4 35.278 5.814 -1.534
25 2HB CYS 4 1HB CYS 4 36.464 6.838 -0.762
26 H LEU 5 H LEU 5 33.351 7.345 -1.546
27 HA LEU 5 HA LEU 5 30.752 6.249 -0.793
28 1HB LEU 5 2HB LEU 5 31.157 8.446 -2.146
29 2HB LEU 5 1HB LEU 5 31.564 7.411 -3.491
30 HG LEU 5 HG LEU 5 29.214 6.277 -3.080
31 1HD1 LEU 5 2HD1 LEU 5 28.788 7.381 -0.859
32 2HD1 LEU 5 1HD1 LEU 5 28.793 8.944 -1.645
33 3HD1 LEU 5 3HD1 LEU 5 27.540 7.774 -2.014
34 1HD2 LEU 5 2HD2 LEU 5 29.744 7.686 -5.057
35 2HD2 LEU 5 1HD2 LEU 5 28.109 7.972 -4.492
36 3HD2 LEU 5 3HD2 LEU 5 29.374 9.138 -4.136
37 H CYS 6 H CYS 6 30.081 4.223 -1.369
38 HA CYS 6 HA CYS 6 31.715 2.797 -3.354
39 1HB CYS 6 2HB CYS 6 29.929 1.357 -1.400
40 2HB CYS 6 1HB CYS 6 31.274 0.834 -2.310
41 H ASP 7 H ASP 7 30.377 0.814 -4.074
42 HA ASP 7 HA ASP 7 28.394 2.003 -5.910
43 1HB ASP 7 2HB ASP 7 30.071 0.313 -6.720
44 2HB ASP 7 1HB ASP 7 29.428 -0.898 -5.640
45 H SER 8 H SER 8 28.154 -1.033 -4.109
46 HA SER 8 HA SER 8 25.425 -1.288 -3.895
47 1HB SER 8 2HB SER 8 27.252 -1.991 -1.556
48 2HB SER 8 1HB SER 8 25.969 -2.971 -2.294
49 HG SER 8 HG SER 8 27.446 -3.700 -3.620
50 H ASP 9 H ASP 9 27.536 0.692 -2.218
51 HA ASP 9 HA ASP 9 26.419 1.569 0.125
52 1HB ASP 9 2HB ASP 9 28.597 2.424 -0.730
53 2HB ASP 9 1HB ASP 9 27.855 3.195 -2.063
54 H GLY 10 H GLY 10 25.585 2.905 -3.070
55 1HA GLY 10 2HA GLY 10 23.370 3.546 -3.721
56 2HA GLY 10 1HA GLY 10 22.871 3.491 -2.035
57 HA PRO 11 HA PRO 11 23.815 7.810 -3.757
58 1HB PRO 11 2HB PRO 11 21.481 8.768 -4.588
59 2HB PRO 11 1HB PRO 11 22.200 7.423 -5.498
60 1HG PRO 11 2HG PRO 11 20.201 7.234 -3.154
61 2HG PRO 11 1HG PRO 11 19.974 6.610 -4.790
62 1HD PRO 11 2HD PRO 11 20.993 4.989 -2.855
63 2HD PRO 11 1HD PRO 11 21.653 4.902 -4.499
64 H ARG 12 H ARG 12 23.615 7.103 -1.134
65 HA ARG 12 HA ARG 12 22.160 9.378 0.162
66 1HB ARG 12 2HB ARG 12 22.740 6.579 1.036
67 2HB ARG 12 1HB ARG 12 22.728 7.816 2.274
68 1HG ARG 12 2HG ARG 12 20.510 6.885 2.082
69 2HG ARG 12 1HG ARG 12 20.469 8.538 1.541
70 1HD ARG 12 2HD ARG 12 20.430 7.826 -0.809
71 2HD ARG 12 1HD ARG 12 20.616 6.136 -0.341
72 HE ARG 12 HE ARG 12 18.254 7.843 0.368
73 1HH1 ARG 12 1HH2 ARG 12 19.409 4.948 1.232
74 2HH1 ARG 12 2HH2 ARG 12 18.128 3.967 0.598
75 1HH2 ARG 12 2HH1 ARG 12 16.734 6.644 -1.205
76 2HH2 ARG 12 1HH1 ARG 12 16.577 4.964 -0.836
77 HA PRO 13 HA PRO 13 26.218 10.658 1.738
78 1HB PRO 13 2HB PRO 13 25.587 12.133 3.916
79 2HB PRO 13 1HB PRO 13 25.044 12.690 2.322
80 1HG PRO 13 2HG PRO 13 23.484 10.864 4.267
81 2HG PRO 13 1HG PRO 13 22.969 12.437 3.646
82 1HD PRO 13 2HD PRO 13 22.193 10.208 2.356
83 2HD PRO 13 1HD PRO 13 22.731 11.597 1.387
84 H ARG 14 H ARG 14 27.706 9.864 3.251
85 HA ARG 14 HA ARG 14 27.072 7.369 4.507
86 1HB ARG 14 2HB ARG 14 29.493 9.142 4.987
87 2HB ARG 14 1HB ARG 14 29.363 7.431 5.317
88 1HG ARG 14 2HG ARG 14 29.136 6.949 2.908
89 2HG ARG 14 1HG ARG 14 29.226 8.667 2.547
90 1HD ARG 14 2HD ARG 14 31.482 8.759 3.693
91 2HD ARG 14 1HD ARG 14 31.410 7.012 3.895
92 HE ARG 14 HE ARG 14 31.651 6.730 1.546
93 1HH1 ARG 14 2HH1 ARG 14 30.271 8.636 0.102
94 2HH1 ARG 14 1HH1 ARG 14 31.373 9.912 -0.281
95 1HH2 ARG 14 1HH2 ARG 14 33.686 8.943 2.148
96 2HH2 ARG 14 2HH2 ARG 14 33.324 10.101 0.920
97 H GLY 15 H GLY 15 25.438 9.478 5.658
98 1HA GLY 15 2HA GLY 15 26.309 10.295 8.232
99 2HA GLY 15 1HA GLY 15 24.646 10.233 7.695
100 H ASN 16 H ASN 16 26.487 7.279 7.784
101 HA ASN 16 HA ASN 16 25.018 6.539 10.298
102 1HB ASN 16 2HB ASN 16 25.491 4.912 7.736
103 2HB ASN 16 1HB ASN 16 25.171 4.107 9.264
104 1HD2 ASN 16 2HD2 ASN 16 21.836 5.791 9.352
105 2HD2 ASN 16 1HD2 ASN 16 23.189 5.828 10.378
106 H THR 17 H THR 17 27.499 4.709 8.528
107 HA THR 17 HA THR 17 29.532 5.542 10.508
108 HB THR 17 HB THR 17 28.761 2.548 10.267
109 HG1 THR 17 HG1 THR 17 27.788 4.678 11.800
110 1HG2 THR 17 2HG2 THR 17 31.108 3.204 11.160
111 2HG2 THR 17 1HG2 THR 17 30.304 4.129 12.420
112 3HG2 THR 17 3HG2 THR 17 30.108 2.385 12.347
113 H LEU 18 H LEU 18 29.404 6.167 7.974
114 HA LEU 18 HA LEU 18 30.725 6.230 5.998
115 1HB LEU 18 2HB LEU 18 32.455 4.247 7.475
116 2HB LEU 18 1HB LEU 18 32.854 5.027 5.974
117 HG LEU 18 HG LEU 18 33.947 6.393 7.539
118 1HD1 LEU 18 3HD1 LEU 18 32.543 7.890 6.126
119 2HD1 LEU 18 2HD1 LEU 18 31.266 7.820 7.325
120 3HD1 LEU 18 1HD1 LEU 18 32.793 8.558 7.725
121 1HD2 LEU 18 1HD2 LEU 18 33.132 5.356 9.547
122 2HD2 LEU 18 3HD2 LEU 18 33.131 7.108 9.677
123 3HD2 LEU 18 2HD2 LEU 18 31.623 6.260 9.430
124 H SER 19 H SER 19 30.816 5.168 4.026
125 HA SER 19 HA SER 19 29.174 2.734 3.912
126 1HB SER 19 2HB SER 19 29.567 3.291 1.378
127 2HB SER 19 1HB SER 19 28.551 4.387 2.356
128 HG SER 19 HG SER 19 31.106 4.721 1.353
129 H GLY 20 H GLY 20 32.407 3.436 4.135
130 1HA GLY 20 2HA GLY 20 33.450 0.888 4.130
131 2HA GLY 20 1HA GLY 20 33.438 1.297 2.405
132 H ILE 21 H ILE 21 35.942 0.941 3.233
133 HA ILE 21 HA ILE 21 37.005 3.712 3.632
134 HB ILE 21 HB ILE 21 38.216 1.123 4.680
135 1HG1 ILE 21 2HG1 ILE 21 36.195 1.724 6.047
136 2HG1 ILE 21 1HG1 ILE 21 37.652 1.888 6.999
137 1HG2 ILE 21 2HG2 ILE 21 39.156 3.958 5.101
138 2HG2 ILE 21 1HG2 ILE 21 39.822 2.544 5.907
139 3HG2 ILE 21 3HG2 ILE 21 39.962 2.708 4.167
140 1HD1 ILE 21 1HD1 ILE 21 37.630 4.366 6.588
141 2HD1 ILE 21 3HD1 ILE 21 36.161 4.164 5.649
142 3HD1 ILE 21 2HD1 ILE 21 36.157 3.819 7.365
143 H LEU 22 H LEU 22 38.784 4.153 2.368
144 HA LEU 22 HA LEU 22 38.920 2.613 -0.068
145 1HB LEU 22 2HB LEU 22 40.814 4.183 -0.686
146 2HB LEU 22 1HB LEU 22 39.338 4.977 -0.221
147 HG LEU 22 HG LEU 22 40.362 5.233 2.109
148 1HD1 LEU 22 2HD1 LEU 22 42.937 4.659 0.585
149 2HD1 LEU 22 1HD1 LEU 22 42.870 5.366 2.185
150 3HD1 LEU 22 3HD1 LEU 22 42.350 3.732 1.941
151 1HD2 LEU 22 2HD2 LEU 22 40.126 7.114 0.480
152 2HD2 LEU 22 1HD2 LEU 22 41.624 7.299 1.377
153 3HD2 LEU 22 3HD2 LEU 22 41.647 6.675 -0.263
154 H TRP 23 H TRP 23 40.707 1.392 -0.895
155 HA TRP 23 HA TRP 23 42.654 0.580 1.123
156 1HB TRP 23 2HB TRP 23 40.661 -1.211 -0.201
157 2HB TRP 23 1HB TRP 23 42.249 -1.852 0.029
158 HD1 TRP 23 HD1 TRP 23 39.231 -1.014 2.201
159 HE1 TRP 23 HE1 TRP 23 39.833 -1.230 4.619
160 HE3 TRP 23 HE3 TRP 23 44.109 -1.382 1.577
161 HZ2 TRP 23 HZ2 TRP 23 42.144 -1.419 6.121
162 HZ3 TRP 23 HZ3 TRP 23 45.641 -1.505 3.512
163 HH2 TRP 23 HH2 TRP 23 44.644 -1.548 5.842
164 H PHE 24 H PHE 24 44.373 0.284 0.775
165 HA PHE 24 HA PHE 24 45.663 0.555 -1.811
166 1HB PHE 24 2HB PHE 24 46.224 1.011 1.097
167 2HB PHE 24 1HB PHE 24 47.631 0.516 0.249
168 HD1 PHE 24 HD1 PHE 24 44.747 2.918 0.178
169 HD2 PHE 24 HD2 PHE 24 48.757 2.229 -1.092
170 HE1 PHE 24 HE1 PHE 24 44.883 5.222 -0.646
171 HE2 PHE 24 HE2 PHE 24 48.888 4.535 -1.916
172 HZ PHE 24 HZ PHE 24 46.955 6.038 -1.694
173 H TYR 25 H TYR 25 44.526 -1.826 -1.859
174 HA TYR 25 HA TYR 25 46.787 -3.661 -1.413
175 1HB TYR 25 2HB TYR 25 43.947 -3.923 -0.608
176 2HB TYR 25 1HB TYR 25 44.569 -5.346 -1.425
177 HD1 TYR 25 HD2 TYR 25 45.587 -2.875 1.223
178 HD2 TYR 25 HD1 TYR 25 45.856 -6.857 -0.231
179 HE1 TYR 25 HE2 TYR 25 46.849 -3.514 3.221
180 HE2 TYR 25 HE1 TYR 25 47.115 -7.501 1.768
181 HH TYR 25 HH TYR 25 48.288 -6.666 3.633
182 HA PRO 26 HA PRO 26 46.458 -4.308 -5.763
183 1HB PRO 26 2HB PRO 26 48.071 -6.514 -6.005
184 2HB PRO 26 1HB PRO 26 48.761 -4.939 -5.587
185 1HG PRO 26 2HG PRO 26 47.862 -7.160 -3.649
186 2HG PRO 26 1HG PRO 26 49.424 -6.340 -3.708
187 1HD PRO 26 2HD PRO 26 47.507 -5.435 -2.000
188 2HD PRO 26 1HD PRO 26 48.437 -4.197 -2.858
189 H SER 27 H SER 27 45.710 -6.635 -3.369
190 HA SER 27 HA SER 27 44.106 -8.371 -5.097
191 1HB SER 27 2HB SER 27 43.704 -9.447 -2.735
192 2HB SER 27 1HB SER 27 45.397 -9.426 -3.278
193 HG SER 27 HG SER 27 44.075 -7.846 -1.393
194 H GLY 28 H GLY 28 43.364 -5.557 -4.853
195 1HA GLY 28 2HA GLY 28 41.273 -4.451 -4.746
196 2HA GLY 28 1HA GLY 28 40.539 -5.960 -4.219
197 H CYS 29 H CYS 29 40.549 -6.518 -2.083
198 HA CYS 29 HA CYS 29 41.134 -4.376 -0.169
199 1HB CYS 29 2HB CYS 29 39.465 -6.838 0.296
200 2HB CYS 29 1HB CYS 29 39.476 -5.290 1.067
201 HA PRO 30 HA PRO 30 43.594 -7.426 2.139
202 1HB PRO 30 2HB PRO 30 43.980 -6.233 4.448
203 2HB PRO 30 1HB PRO 30 44.528 -5.422 2.968
204 1HG PRO 30 2HG PRO 30 41.820 -5.100 4.288
205 2HG PRO 30 1HG PRO 30 42.979 -3.828 4.071
206 1HD PRO 30 2HD PRO 30 41.014 -4.300 2.216
207 2HD PRO 30 1HD PRO 30 42.620 -3.812 1.671
208 H SER 31 H SER 31 43.605 -8.624 4.071
209 HA SER 31 HA SER 31 41.529 -10.335 4.435
210 1HB SER 31 2HB SER 31 43.608 -9.627 6.538
211 2HB SER 31 1HB SER 31 42.908 -11.222 6.210
212 HG SER 31 HG SER 31 44.421 -11.409 4.737
213 H GLY 32 H GLY 32 39.585 -9.852 5.072
214 1HA GLY 32 2HA GLY 32 38.133 -9.584 7.110
215 2HA GLY 32 1HA GLY 32 39.177 -8.250 7.589
216 H TRP 33 H TRP 33 38.982 -7.834 4.418
217 HA TRP 33 HA TRP 33 36.605 -6.075 4.582
218 1HB TRP 33 2HB TRP 33 39.105 -5.928 2.869
219 2HB TRP 33 1HB TRP 33 37.818 -4.750 2.815
220 HD1 TRP 33 HD1 TRP 33 40.382 -6.140 5.462
221 HE1 TRP 33 HE1 TRP 33 40.836 -4.325 7.130
222 HE3 TRP 33 HE3 TRP 33 37.222 -2.730 3.623
223 HZ2 TRP 33 HZ2 TRP 33 39.986 -1.741 7.607
224 HZ3 TRP 33 HZ3 TRP 33 37.042 -0.546 4.691
225 HH2 TRP 33 HH2 TRP 33 38.461 -0.041 6.711
226 H HIS 34 H HIS 34 35.472 -5.894 2.464
227 HA HIS 34 HA HIS 34 35.916 -8.270 0.704
228 1HB HIS 34 2HB HIS 34 34.458 -8.807 2.683
229 2HB HIS 34 1HB HIS 34 33.271 -7.663 2.092
230 HD1 HIS 34 HD1 HIS 34 32.529 -8.298 -0.509
231 HD2 HIS 34 HD2 HIS 34 34.101 -11.280 1.895
232 HE1 HIS 34 HE1 HIS 34 31.844 -10.544 -1.442
233 H ASN 35 H ASN 35 36.284 -5.503 0.240
234 HA ASN 35 HA ASN 35 36.079 -3.929 -1.366
235 1HB ASN 35 2HB ASN 35 36.324 -5.904 -2.856
236 2HB ASN 35 1HB ASN 35 34.576 -6.112 -2.869
237 1HD2 ASN 35 2HD2 ASN 35 34.010 -3.328 -4.948
238 2HD2 ASN 35 1HD2 ASN 35 33.291 -4.355 -3.785
239 H CYS 36 H CYS 36 34.814 -2.257 -2.084
240 HA CYS 36 HA CYS 36 31.932 -2.351 -1.389
241 1HB CYS 36 2HB CYS 36 32.227 -0.556 -0.097
242 2HB CYS 36 1HB CYS 36 33.845 -1.094 0.012
243 H LYS 37 H LYS 37 34.412 -0.771 -3.321
244 HA LYS 37 HA LYS 37 32.313 -0.334 -5.438
245 1HB LYS 37 2HB LYS 37 33.223 1.856 -4.444
246 2HB LYS 37 1HB LYS 37 34.799 1.432 -5.077
247 1HG LYS 37 2HG LYS 37 33.587 1.066 -7.378
248 2HG LYS 37 1HG LYS 37 32.192 1.794 -6.644
249 1HD LYS 37 2HD LYS 37 34.859 3.199 -6.985
250 2HD LYS 37 1HD LYS 37 33.521 3.324 -8.104
251 1HE LYS 37 2HE LYS 37 32.118 4.144 -6.064
252 2HE LYS 37 1HE LYS 37 33.675 4.344 -5.264
253 1HZ LYS 37 3HZ LYS 37 33.871 5.450 -7.818
254 2HZ LYS 37 2HZ LYS 37 32.447 6.045 -7.086
255 3HZ LYS 37 1HZ LYS 37 33.950 6.224 -6.306
256 H ALA 38 H ALA 38 32.687 -2.101 -6.580
257 HA ALA 38 HA ALA 38 35.364 -3.139 -7.177
258 1HB ALA 38 3HB ALA 38 32.652 -3.841 -8.413
259 2HB ALA 38 2HB ALA 38 34.142 -4.752 -8.610
260 3HB ALA 38 1HB ALA 38 33.367 -4.677 -7.034
261 H HIS 39 H HIS 39 34.372 -0.386 -7.938
262 HA HIS 39 HA HIS 39 35.297 -0.447 -10.767
263 1HB HIS 39 2HB HIS 39 33.074 1.370 -9.744
264 2HB HIS 39 1HB HIS 39 33.503 1.058 -11.420
265 HD1 HIS 39 HD1 HIS 39 33.561 -2.089 -11.099
266 HD2 HIS 39 HD2 HIS 39 30.611 0.471 -9.634
267 HE1 HIS 39 HE1 HIS 39 31.477 -3.347 -10.781
268 H GLY 40 H GLY 40 36.418 0.355 -7.921
269 1HA GLY 40 2HA GLY 40 38.380 2.069 -8.554
270 2HA GLY 40 1HA GLY 40 37.026 3.197 -8.471
271 HA PRO 41 HA PRO 41 38.549 4.842 -7.552
272 1HB PRO 41 2HB PRO 41 40.508 5.830 -6.012
273 2HB PRO 41 1HB PRO 41 38.821 6.035 -5.541
274 1HG PRO 41 2HG PRO 41 40.614 3.632 -4.752
275 2HG PRO 41 1HG PRO 41 39.864 4.771 -3.623
276 1HD PRO 41 2HD PRO 41 38.510 2.647 -4.130
277 2HD PRO 41 1HD PRO 41 37.632 4.169 -4.314
278 H ASN 42 H ASN 42 41.169 5.613 -7.988
279 HA ASN 42 HA ASN 42 42.282 3.232 -9.281
280 1HB ASN 42 2HB ASN 42 43.609 4.879 -10.584
281 2HB ASN 42 1HB ASN 42 41.964 5.504 -10.581
282 1HD2 ASN 42 2HD2 ASN 42 44.750 7.878 -9.099
283 2HD2 ASN 42 1HD2 ASN 42 45.067 6.619 -10.192
284 H ILE 43 H ILE 43 42.391 5.056 -6.572
285 HA ILE 43 HA ILE 43 45.141 4.620 -6.274
286 HB ILE 43 HB ILE 43 44.752 5.697 -3.845
287 1HG1 ILE 43 2HG1 ILE 43 42.089 6.484 -5.032
288 2HG1 ILE 43 1HG1 ILE 43 42.217 5.027 -4.047
289 1HG2 ILE 43 3HG2 ILE 43 43.974 7.264 -6.349
290 2HG2 ILE 43 2HG2 ILE 43 44.474 7.986 -4.830
291 3HG2 ILE 43 1HG2 ILE 43 45.608 7.031 -5.758
292 1HD1 ILE 43 2HD1 ILE 43 42.935 7.870 -3.196
293 2HD1 ILE 43 1HD1 ILE 43 41.508 6.976 -2.698
294 3HD1 ILE 43 3HD1 ILE 43 43.104 6.441 -2.185
295 H GLY 44 H GLY 44 43.386 2.530 -6.384
296 1HA GLY 44 2HA GLY 44 44.256 0.306 -5.399
297 2HA GLY 44 1HA GLY 44 43.739 1.017 -3.867
298 H TRP 45 H TRP 45 41.717 0.513 -3.353
299 HA TRP 45 HA TRP 45 39.485 0.518 -5.296
300 1HB TRP 45 2HB TRP 45 39.722 -2.014 -3.627
301 2HB TRP 45 1HB TRP 45 38.881 -1.785 -5.150
302 HD1 TRP 45 HD1 TRP 45 42.492 -2.047 -3.754
303 HE1 TRP 45 HE1 TRP 45 44.019 -2.992 -5.424
304 HE3 TRP 45 HE3 TRP 45 39.247 -2.273 -7.663
305 HZ2 TRP 45 HZ2 TRP 45 43.963 -3.743 -8.057
306 HZ3 TRP 45 HZ3 TRP 45 40.101 -3.142 -9.821
307 HH2 TRP 45 HH2 TRP 45 42.461 -3.875 -10.018
308 H CYS 46 H CYS 46 37.337 0.740 -3.954
309 HA CYS 46 HA CYS 46 38.015 1.413 -1.123
310 1HB CYS 46 2HB CYS 46 36.776 3.106 -2.616
311 2HB CYS 46 1HB CYS 46 35.489 1.932 -2.703
312 H CYS 47 H CYS 47 37.438 0.118 0.359
313 HA CYS 47 HA CYS 47 35.526 -2.056 -0.269
314 1HB CYS 47 2HB CYS 47 38.096 -2.136 1.275
315 2HB CYS 47 1HB CYS 47 37.008 -3.432 1.242
316 H LYS 48 H LYS 48 35.333 -3.246 2.110
317 HA LYS 48 HA LYS 48 34.892 -1.187 4.080
318 1HB LYS 48 2HB LYS 48 32.661 -1.407 4.418
319 2HB LYS 48 1HB LYS 48 32.787 -1.301 2.683
320 1HG LYS 48 2HG LYS 48 32.371 -3.813 4.339
321 2HG LYS 48 1HG LYS 48 31.258 -2.965 3.304
322 1HD LYS 48 2HD LYS 48 33.068 -3.210 1.508
323 2HD LYS 48 1HD LYS 48 33.838 -4.323 2.563
324 1HE LYS 48 2HE LYS 48 32.483 -5.750 1.095
325 2HE LYS 48 1HE LYS 48 31.948 -5.853 2.756
326 1HZ LYS 48 3HZ LYS 48 30.517 -3.802 1.487
327 2HZ LYS 48 2HZ LYS 48 30.498 -5.186 0.504
328 3HZ LYS 48 1HZ LYS 48 29.942 -5.282 2.114
329 H LYS 49 H LYS 49 33.994 -2.230 5.996
330 HA LYS 49 HA LYS 49 35.522 -4.751 6.515
331 1HB LYS 49 2HB LYS 49 34.167 -2.761 8.369
332 2HB LYS 49 1HB LYS 49 34.697 -4.325 8.959
333 1HG LYS 49 2HG LYS 49 37.019 -3.764 8.014
334 2HG LYS 49 1HG LYS 49 36.422 -2.127 7.758
335 1HD LYS 49 2HD LYS 49 35.918 -1.871 10.142
336 2HD LYS 49 1HD LYS 49 36.288 -3.558 10.453
337 1HE LYS 49 2HE LYS 49 38.669 -3.119 9.737
338 2HE LYS 49 1HE LYS 49 38.268 -1.409 9.594
339 1HZ LYS 49 1HZ LYS 49 37.344 -2.328 12.066
340 2HZ LYS 49 3HZ LYS 49 38.953 -2.842 11.888
341 3HZ LYS 49 2HZ LYS 49 38.564 -1.193 11.751
No H/Q in entry = 341
Start of MODEL 6
1 1H GLY 1 2H GLY 1 41.621 6.054 7.680
2 2H GLY 1 1H GLY 1 42.316 4.506 7.622
3 3H GLY 1 3H GLY 1 43.219 5.861 7.127
4 1HA GLY 1 2HA GLY 1 42.481 5.613 5.054
5 2HA GLY 1 1HA GLY 1 41.507 4.238 5.590
6 H VAL 2 H VAL 2 40.956 6.660 3.780
7 HA VAL 2 HA VAL 2 38.746 7.961 5.226
8 HB VAL 2 HB VAL 2 39.538 8.321 2.297
9 1HG1 VAL 2 2HG1 VAL 2 38.180 10.249 4.213
10 2HG1 VAL 2 1HG1 VAL 2 38.622 10.590 2.551
11 3HG1 VAL 2 3HG1 VAL 2 37.404 9.382 2.893
12 1HG2 VAL 2 1HG2 VAL 2 40.679 9.783 4.720
13 2HG2 VAL 2 3HG2 VAL 2 41.582 8.679 3.708
14 3HG2 VAL 2 2HG2 VAL 2 41.015 10.193 3.047
15 HA PRO 3 HA PRO 3 35.739 5.313 3.139
16 1HB PRO 3 2HB PRO 3 33.437 6.541 3.724
17 2HB PRO 3 1HB PRO 3 34.406 5.860 5.049
18 1HG PRO 3 2HG PRO 3 34.647 8.725 3.883
19 2HG PRO 3 1HG PRO 3 34.172 8.366 5.533
20 1HD PRO 3 2HD PRO 3 36.726 8.789 5.082
21 2HD PRO 3 1HD PRO 3 36.347 7.352 6.038
22 H CYS 4 H CYS 4 34.355 5.369 1.275
23 HA CYS 4 HA CYS 4 34.536 7.926 -0.298
24 1HB CYS 4 2HB CYS 4 35.329 6.775 -2.226
25 2HB CYS 4 1HB CYS 4 36.199 6.005 -0.920
26 H LEU 5 H LEU 5 33.017 7.775 -2.240
27 HA LEU 5 HA LEU 5 30.382 6.874 -1.246
28 1HB LEU 5 2HB LEU 5 30.876 9.168 -2.473
29 2HB LEU 5 1HB LEU 5 30.951 8.210 -3.935
30 HG LEU 5 HG LEU 5 28.603 7.279 -3.281
31 1HD1 LEU 5 2HD1 LEU 5 28.685 8.067 -0.878
32 2HD1 LEU 5 1HD1 LEU 5 28.690 9.723 -1.443
33 3HD1 LEU 5 3HD1 LEU 5 27.299 8.695 -1.737
34 1HD2 LEU 5 2HD2 LEU 5 28.862 10.258 -3.891
35 2HD2 LEU 5 1HD2 LEU 5 28.928 8.970 -5.083
36 3HD2 LEU 5 3HD2 LEU 5 27.449 9.263 -4.189
37 H CYS 6 H CYS 6 31.013 4.646 -1.319
38 HA CYS 6 HA CYS 6 31.848 3.409 -3.682
39 1HB CYS 6 2HB CYS 6 30.331 1.882 -1.574
40 2HB CYS 6 1HB CYS 6 31.649 1.365 -2.561
41 H ASP 7 H ASP 7 30.766 1.561 -4.437
42 HA ASP 7 HA ASP 7 28.605 2.229 -6.081
43 1HB ASP 7 2HB ASP 7 29.948 0.212 -6.567
44 2HB ASP 7 1HB ASP 7 29.457 -0.534 -5.060
45 H SER 8 H SER 8 28.450 0.522 -3.006
46 HA SER 8 HA SER 8 25.527 0.641 -2.946
47 1HB SER 8 2HB SER 8 26.128 -0.629 -0.680
48 2HB SER 8 1HB SER 8 26.462 -1.462 -2.210
49 HG SER 8 HG SER 8 28.232 -0.545 -0.366
50 H ASP 9 H ASP 9 28.026 2.672 -2.144
51 HA ASP 9 HA ASP 9 27.026 3.627 0.411
52 1HB ASP 9 2HB ASP 9 29.421 3.877 -0.479
53 2HB ASP 9 1HB ASP 9 28.857 5.149 -1.519
54 H GLY 10 H GLY 10 24.840 3.800 -0.155
55 1HA GLY 10 2HA GLY 10 23.805 6.374 -0.437
56 2HA GLY 10 1HA GLY 10 23.799 5.717 -2.070
57 HA PRO 11 HA PRO 11 20.033 3.821 -1.153
58 1HB PRO 11 2HB PRO 11 19.789 1.796 -2.918
59 2HB PRO 11 1HB PRO 11 20.123 3.422 -3.538
60 1HG PRO 11 2HG PRO 11 22.197 1.256 -2.784
61 2HG PRO 11 1HG PRO 11 22.019 2.042 -4.352
62 1HD PRO 11 2HD PRO 11 23.783 3.059 -2.558
63 2HD PRO 11 1HD PRO 11 22.793 4.158 -3.536
64 H ARG 12 H ARG 12 22.570 2.338 -0.161
65 HA ARG 12 HA ARG 12 21.158 0.030 1.110
66 1HB ARG 12 2HB ARG 12 23.997 0.455 0.327
67 2HB ARG 12 1HB ARG 12 23.740 -0.459 1.792
68 1HG ARG 12 2HG ARG 12 23.822 -2.023 -0.023
69 2HG ARG 12 1HG ARG 12 22.174 -1.971 0.537
70 1HD ARG 12 2HD ARG 12 21.502 -0.566 -1.368
71 2HD ARG 12 1HD ARG 12 23.184 -0.410 -1.873
72 HE ARG 12 HE ARG 12 22.892 -2.422 -3.012
73 1HH1 ARG 12 1HH2 ARG 12 22.926 -4.290 -0.890
74 2HH1 ARG 12 2HH2 ARG 12 21.356 -5.021 -0.898
75 1HH2 ARG 12 2HH1 ARG 12 19.973 -2.401 -2.786
76 2HH2 ARG 12 1HH1 ARG 12 19.623 -3.900 -2.004
77 HA PRO 13 HA PRO 13 21.203 2.327 4.895
78 1HB PRO 13 2HB PRO 13 20.544 0.388 6.694
79 2HB PRO 13 1HB PRO 13 19.377 0.873 5.452
80 1HG PRO 13 2HG PRO 13 21.480 -1.379 5.253
81 2HG PRO 13 1HG PRO 13 19.725 -1.554 5.111
82 1HD PRO 13 2HD PRO 13 21.167 -1.239 2.889
83 2HD PRO 13 1HD PRO 13 19.686 -0.266 3.027
84 H ARG 14 H ARG 14 22.210 2.025 7.216
85 HA ARG 14 HA ARG 14 24.188 2.150 8.368
86 1HB ARG 14 2HB ARG 14 24.251 -0.613 7.085
87 2HB ARG 14 1HB ARG 14 25.511 -0.079 8.155
88 1HG ARG 14 2HG ARG 14 23.785 0.350 9.941
89 2HG ARG 14 1HG ARG 14 22.557 -0.261 8.843
90 1HD ARG 14 2HD ARG 14 23.395 -2.023 10.464
91 2HD ARG 14 1HD ARG 14 23.623 -2.472 8.780
92 HE ARG 14 HE ARG 14 25.895 -2.627 9.306
93 1HH1 ARG 14 2HH1 ARG 14 27.002 -0.198 9.156
94 2HH1 ARG 14 1HH1 ARG 14 27.376 0.334 10.750
95 1HH2 ARG 14 1HH2 ARG 14 25.161 -1.993 12.198
96 2HH2 ARG 14 2HH2 ARG 14 26.289 -0.739 12.573
97 H GLY 15 H GLY 15 24.219 2.988 5.546
98 1HA GLY 15 2HA GLY 15 27.173 2.853 4.997
99 2HA GLY 15 1HA GLY 15 25.950 3.295 3.797
100 H ASN 16 H ASN 16 24.985 4.644 6.514
101 HA ASN 16 HA ASN 16 25.591 7.347 5.767
102 1HB ASN 16 2HB ASN 16 24.614 6.508 8.546
103 2HB ASN 16 1HB ASN 16 24.260 7.976 7.663
104 1HD2 ASN 16 2HD2 ASN 16 21.245 6.499 6.604
105 2HD2 ASN 16 1HD2 ASN 16 21.995 7.880 7.250
106 H THR 17 H THR 17 26.602 5.403 8.540
107 HA THR 17 HA THR 17 28.684 7.384 9.250
108 HB THR 17 HB THR 17 28.067 4.704 10.612
109 HG1 THR 17 HG1 THR 17 26.600 6.996 10.187
110 1HG2 THR 17 1HG2 THR 17 28.828 7.466 11.741
111 2HG2 THR 17 3HG2 THR 17 28.682 5.969 12.643
112 3HG2 THR 17 2HG2 THR 17 29.996 6.174 11.500
113 H LEU 18 H LEU 18 29.301 6.724 6.977
114 HA LEU 18 HA LEU 18 31.085 6.074 5.649
115 1HB LEU 18 2HB LEU 18 32.163 4.759 8.223
116 2HB LEU 18 1HB LEU 18 32.947 4.616 6.684
117 HG LEU 18 HG LEU 18 33.124 7.073 6.518
118 1HD1 LEU 18 3HD1 LEU 18 32.141 7.116 9.378
119 2HD1 LEU 18 2HD1 LEU 18 32.849 8.477 8.524
120 3HD1 LEU 18 1HD1 LEU 18 31.320 7.817 7.988
121 1HD2 LEU 18 2HD2 LEU 18 34.368 5.811 9.003
122 2HD2 LEU 18 1HD2 LEU 18 35.006 5.715 7.375
123 3HD2 LEU 18 3HD2 LEU 18 34.984 7.253 8.212
124 H SER 19 H SER 19 30.852 4.598 4.150
125 HA SER 19 HA SER 19 29.458 2.061 4.799
126 1HB SER 19 2HB SER 19 28.643 3.378 2.804
127 2HB SER 19 1HB SER 19 30.255 3.217 2.076
128 HG SER 19 HG SER 19 29.699 0.808 2.729
129 H GLY 20 H GLY 20 32.641 3.177 4.218
130 1HA GLY 20 2HA GLY 20 33.900 0.736 4.780
131 2HA GLY 20 1HA GLY 20 33.783 0.871 3.010
132 H ILE 21 H ILE 21 36.202 0.898 3.457
133 HA ILE 21 HA ILE 21 37.136 3.740 3.550
134 HB ILE 21 HB ILE 21 37.976 1.452 5.276
135 1HG1 ILE 21 2HG1 ILE 21 38.822 3.417 6.764
136 2HG1 ILE 21 1HG1 ILE 21 38.025 4.453 5.612
137 1HG2 ILE 21 1HG2 ILE 21 40.148 3.251 4.154
138 2HG2 ILE 21 3HG2 ILE 21 40.348 2.152 5.509
139 3HG2 ILE 21 2HG2 ILE 21 40.017 1.518 3.917
140 1HD1 ILE 21 3HD1 ILE 21 36.638 2.231 7.161
141 2HD1 ILE 21 2HD1 ILE 21 36.559 3.947 7.536
142 3HD1 ILE 21 1HD1 ILE 21 35.878 3.354 6.045
143 H LEU 22 H LEU 22 38.984 4.120 2.297
144 HA LEU 22 HA LEU 22 39.110 2.523 -0.104
145 1HB LEU 22 2HB LEU 22 40.627 4.255 -0.902
146 2HB LEU 22 1HB LEU 22 39.411 5.031 0.084
147 HG LEU 22 HG LEU 22 41.216 4.614 2.043
148 1HD1 LEU 22 3HD1 LEU 22 42.912 4.840 -0.481
149 2HD1 LEU 22 2HD1 LEU 22 43.525 4.942 1.163
150 3HD1 LEU 22 1HD1 LEU 22 42.860 3.443 0.572
151 1HD2 LEU 22 2HD2 LEU 22 41.401 6.857 -0.020
152 2HD2 LEU 22 1HD2 LEU 22 40.294 6.777 1.333
153 3HD2 LEU 22 3HD2 LEU 22 42.023 6.939 1.626
154 H TRP 23 H TRP 23 40.831 1.153 -0.926
155 HA TRP 23 HA TRP 23 42.853 0.528 1.100
156 1HB TRP 23 2HB TRP 23 40.949 -1.374 -0.207
157 2HB TRP 23 1HB TRP 23 42.572 -1.948 0.057
158 HD1 TRP 23 HD1 TRP 23 39.502 -1.110 2.182
159 HE1 TRP 23 HE1 TRP 23 40.143 -1.250 4.613
160 HE3 TRP 23 HE3 TRP 23 44.404 -1.466 1.545
161 HZ2 TRP 23 HZ2 TRP 23 42.472 -1.411 6.095
162 HZ3 TRP 23 HZ3 TRP 23 45.941 -1.551 3.454
163 HH2 TRP 23 HH2 TRP 23 44.965 -1.551 5.795
164 H PHE 24 H PHE 24 44.593 0.290 0.791
165 HA PHE 24 HA PHE 24 45.834 0.572 -1.818
166 1HB PHE 24 2HB PHE 24 46.432 1.147 1.054
167 2HB PHE 24 1HB PHE 24 47.848 0.612 0.238
168 HD1 PHE 24 HD1 PHE 24 44.894 2.901 -0.164
169 HD2 PHE 24 HD2 PHE 24 49.037 2.341 -0.979
170 HE1 PHE 24 HE1 PHE 24 45.015 5.168 -1.100
171 HE2 PHE 24 HE2 PHE 24 49.158 4.607 -1.911
172 HZ PHE 24 HZ PHE 24 47.138 6.024 -1.972
173 H TYR 25 H TYR 25 44.835 -1.846 -1.839
174 HA TYR 25 HA TYR 25 47.194 -3.574 -1.398
175 1HB TYR 25 2HB TYR 25 44.306 -4.099 -0.835
176 2HB TYR 25 1HB TYR 25 45.148 -5.380 -1.654
177 HD1 TYR 25 HD2 TYR 25 45.981 -2.991 1.158
178 HD2 TYR 25 HD1 TYR 25 46.069 -6.961 -0.353
179 HE1 TYR 25 HE2 TYR 25 47.065 -3.748 3.225
180 HE2 TYR 25 HE1 TYR 25 47.152 -7.723 1.706
181 HH TYR 25 HH TYR 25 48.356 -6.940 3.593
182 HA PRO 26 HA PRO 26 46.861 -4.256 -5.777
183 1HB PRO 26 2HB PRO 26 48.779 -6.123 -6.092
184 2HB PRO 26 1HB PRO 26 49.221 -4.503 -5.525
185 1HG PRO 26 2HG PRO 26 48.586 -6.970 -3.783
186 2HG PRO 26 1HG PRO 26 50.040 -5.975 -3.749
187 1HD PRO 26 2HD PRO 26 47.947 -5.385 -2.033
188 2HD PRO 26 1HD PRO 26 48.850 -4.046 -2.756
189 H SER 27 H SER 27 46.465 -6.825 -3.435
190 HA SER 27 HA SER 27 45.164 -8.598 -5.393
191 1HB SER 27 2HB SER 27 44.998 -10.053 -3.244
192 2HB SER 27 1HB SER 27 46.648 -9.651 -3.756
193 HG SER 27 HG SER 27 45.242 -8.825 -1.578
194 H GLY 28 H GLY 28 43.956 -6.059 -4.853
195 1HA GLY 28 2HA GLY 28 41.705 -5.316 -4.676
196 2HA GLY 28 1HA GLY 28 41.235 -6.990 -4.321
197 H CYS 29 H CYS 29 39.921 -6.043 -2.491
198 HA CYS 29 HA CYS 29 40.952 -4.524 -0.422
199 1HB CYS 29 2HB CYS 29 39.056 -6.822 0.028
200 2HB CYS 29 1HB CYS 29 39.155 -5.278 0.827
201 HA PRO 30 HA PRO 30 43.514 -7.367 1.860
202 1HB PRO 30 2HB PRO 30 43.850 -6.092 4.185
203 2HB PRO 30 1HB PRO 30 44.423 -5.316 2.696
204 1HG PRO 30 2HG PRO 30 41.664 -5.085 3.934
205 2HG PRO 30 1HG PRO 30 42.781 -3.770 3.781
206 1HD PRO 30 2HD PRO 30 40.918 -4.218 1.879
207 2HD PRO 30 1HD PRO 30 42.559 -3.884 1.305
208 H SER 31 H SER 31 43.477 -8.735 3.654
209 HA SER 31 HA SER 31 41.217 -10.250 3.986
210 1HB SER 31 2HB SER 31 43.603 -10.926 4.698
211 2HB SER 31 1HB SER 31 43.352 -9.941 6.152
212 HG SER 31 HG SER 31 42.433 -12.392 5.641
213 H GLY 32 H GLY 32 39.560 -10.091 5.042
214 1HA GLY 32 2HA GLY 32 38.099 -9.615 6.980
215 2HA GLY 32 1HA GLY 32 39.214 -8.333 7.442
216 H TRP 33 H TRP 33 38.935 -7.904 4.257
217 HA TRP 33 HA TRP 33 36.652 -6.057 4.561
218 1HB TRP 33 2HB TRP 33 39.076 -5.953 2.725
219 2HB TRP 33 1HB TRP 33 37.812 -4.756 2.734
220 HD1 TRP 33 HD1 TRP 33 40.387 -6.218 5.306
221 HE1 TRP 33 HE1 TRP 33 40.971 -4.450 6.959
222 HE3 TRP 33 HE3 TRP 33 37.339 -2.658 3.548
223 HZ2 TRP 33 HZ2 TRP 33 40.250 -1.819 7.450
224 HZ3 TRP 33 HZ3 TRP 33 37.306 -0.464 4.609
225 HH2 TRP 33 HH2 TRP 33 38.786 -0.029 6.597
226 H HIS 34 H HIS 34 35.456 -5.774 2.476
227 HA HIS 34 HA HIS 34 35.715 -8.172 0.695
228 1HB HIS 34 2HB HIS 34 34.295 -8.609 2.749
229 2HB HIS 34 1HB HIS 34 33.137 -7.453 2.121
230 HD1 HIS 34 HD1 HIS 34 32.483 -8.197 -0.537
231 HD2 HIS 34 HD2 HIS 34 33.716 -11.094 2.158
232 HE1 HIS 34 HE1 HIS 34 31.693 -10.461 -1.346
233 H ASN 35 H ASN 35 36.181 -5.420 0.223
234 HA ASN 35 HA ASN 35 35.929 -3.828 -1.433
235 1HB ASN 35 2HB ASN 35 35.998 -5.810 -2.956
236 2HB ASN 35 1HB ASN 35 34.249 -5.969 -2.809
237 1HD2 ASN 35 2HD2 ASN 35 35.691 -2.757 -4.894
238 2HD2 ASN 35 1HD2 ASN 35 36.707 -3.477 -3.735
239 H CYS 36 H CYS 36 34.717 -2.138 -2.043
240 HA CYS 36 HA CYS 36 31.869 -2.077 -1.223
241 1HB CYS 36 2HB CYS 36 32.318 -0.180 -0.025
242 2HB CYS 36 1HB CYS 36 33.874 -0.892 0.133
243 H LYS 37 H LYS 37 34.276 -0.151 -2.893
244 HA LYS 37 HA LYS 37 32.308 0.413 -5.050
245 1HB LYS 37 2HB LYS 37 33.704 2.281 -4.110
246 2HB LYS 37 1HB LYS 37 35.151 1.492 -4.690
247 1HG LYS 37 2HG LYS 37 34.440 1.720 -7.015
248 2HG LYS 37 1HG LYS 37 32.831 2.208 -6.544
249 1HD LYS 37 2HD LYS 37 35.368 3.862 -6.101
250 2HD LYS 37 1HD LYS 37 34.193 4.130 -7.373
251 1HE LYS 37 2HE LYS 37 32.450 4.328 -5.466
252 2HE LYS 37 1HE LYS 37 33.815 4.497 -4.374
253 1HZ LYS 37 2HZ LYS 37 34.080 6.269 -6.576
254 2HZ LYS 37 1HZ LYS 37 32.553 6.423 -5.831
255 3HZ LYS 37 3HZ LYS 37 33.965 6.619 -4.913
256 H ALA 38 H ALA 38 32.107 -1.264 -6.253
257 HA ALA 38 HA ALA 38 34.303 -3.019 -7.077
258 1HB ALA 38 3HB ALA 38 31.975 -3.891 -6.743
259 2HB ALA 38 2HB ALA 38 31.416 -2.848 -8.048
260 3HB ALA 38 1HB ALA 38 32.519 -4.168 -8.394
261 H HIS 39 H HIS 39 34.231 -0.112 -7.706
262 HA HIS 39 HA HIS 39 34.738 -0.251 -10.639
263 1HB HIS 39 2HB HIS 39 33.551 2.204 -9.263
264 2HB HIS 39 1HB HIS 39 33.523 1.837 -10.975
265 HD1 HIS 39 HD1 HIS 39 32.432 -1.124 -10.449
266 HD2 HIS 39 HD2 HIS 39 30.929 2.441 -8.923
267 HE1 HIS 39 HE1 HIS 39 30.059 -1.440 -9.816
268 H GLY 40 H GLY 40 36.190 -0.320 -7.962
269 1HA GLY 40 2HA GLY 40 38.587 0.194 -7.881
270 2HA GLY 40 1HA GLY 40 38.233 1.744 -8.625
271 HA PRO 41 HA PRO 41 38.344 3.790 -8.169
272 1HB PRO 41 2HB PRO 41 39.773 5.691 -6.909
273 2HB PRO 41 1HB PRO 41 38.036 5.570 -6.642
274 1HG PRO 41 2HG PRO 41 40.222 4.171 -4.977
275 2HG PRO 41 1HG PRO 41 39.011 5.288 -4.352
276 1HD PRO 41 2HD PRO 41 38.441 2.761 -4.214
277 2HD PRO 41 1HD PRO 41 37.186 3.853 -4.813
278 H ASN 42 H ASN 42 40.977 4.935 -8.386
279 HA ASN 42 HA ASN 42 42.578 2.511 -8.823
280 1HB ASN 42 2HB ASN 42 42.313 4.156 -10.763
281 2HB ASN 42 1HB ASN 42 42.928 5.433 -9.724
282 1HD2 ASN 42 2HD2 ASN 42 45.608 2.664 -11.056
283 2HD2 ASN 42 1HD2 ASN 42 43.986 2.180 -10.955
284 H ILE 43 H ILE 43 42.064 5.095 -6.885
285 HA ILE 43 HA ILE 43 44.687 5.067 -5.940
286 HB ILE 43 HB ILE 43 43.852 6.926 -4.289
287 1HG1 ILE 43 2HG1 ILE 43 41.266 6.593 -5.878
288 2HG1 ILE 43 1HG1 ILE 43 41.481 6.071 -4.216
289 1HG2 ILE 43 2HG2 ILE 43 44.880 7.472 -6.487
290 2HG2 ILE 43 1HG2 ILE 43 43.335 7.303 -7.292
291 3HG2 ILE 43 3HG2 ILE 43 43.598 8.604 -6.145
292 1HD1 ILE 43 1HD1 ILE 43 41.975 8.421 -3.563
293 2HD1 ILE 43 3HD1 ILE 43 41.730 8.943 -5.219
294 3HD1 ILE 43 2HD1 ILE 43 40.390 8.281 -4.307
295 H GLY 44 H GLY 44 43.176 2.887 -5.661
296 1HA GLY 44 2HA GLY 44 43.653 1.148 -3.962
297 2HA GLY 44 1HA GLY 44 43.182 2.288 -2.715
298 H TRP 45 H TRP 45 42.194 -0.358 -3.877
299 HA TRP 45 HA TRP 45 39.537 -0.070 -4.937
300 1HB TRP 45 2HB TRP 45 40.181 -2.224 -2.873
301 2HB TRP 45 1HB TRP 45 39.078 -2.333 -4.224
302 HD1 TRP 45 HD1 TRP 45 42.871 -2.213 -3.483
303 HE1 TRP 45 HE1 TRP 45 44.121 -3.305 -5.318
304 HE3 TRP 45 HE3 TRP 45 38.977 -3.018 -6.611
305 HZ2 TRP 45 HZ2 TRP 45 43.577 -4.403 -7.800
306 HZ3 TRP 45 HZ3 TRP 45 39.415 -4.130 -8.773
307 HH2 TRP 45 HH2 TRP 45 41.708 -4.819 -9.363
308 H CYS 46 H CYS 46 37.544 0.759 -3.823
309 HA CYS 46 HA CYS 46 38.061 1.365 -0.986
310 1HB CYS 46 2HB CYS 46 37.005 2.984 -2.710
311 2HB CYS 46 1HB CYS 46 35.679 1.869 -2.736
312 H CYS 47 H CYS 47 37.421 0.169 0.427
313 HA CYS 47 HA CYS 47 35.501 -1.977 -0.178
314 1HB CYS 47 2HB CYS 47 38.165 -2.082 1.157
315 2HB CYS 47 1HB CYS 47 37.094 -3.402 1.209
316 H LYS 48 H LYS 48 35.296 -3.272 2.072
317 HA LYS 48 HA LYS 48 35.107 -1.363 4.205
318 1HB LYS 48 2HB LYS 48 32.871 -1.362 4.566
319 2HB LYS 48 1HB LYS 48 32.965 -1.187 2.834
320 1HG LYS 48 2HG LYS 48 32.296 -3.683 4.390
321 2HG LYS 48 1HG LYS 48 31.288 -2.684 3.382
322 1HD LYS 48 2HD LYS 48 33.092 -3.090 1.595
323 2HD LYS 48 1HD LYS 48 33.664 -4.351 2.611
324 1HE LYS 48 2HE LYS 48 30.868 -4.328 1.365
325 2HE LYS 48 1HE LYS 48 32.131 -5.511 1.069
326 1HZ LYS 48 3HZ LYS 48 31.642 -5.439 3.813
327 2HZ LYS 48 2HZ LYS 48 30.156 -5.554 3.007
328 3HZ LYS 48 1HZ LYS 48 31.365 -6.718 2.721
329 H LYS 49 H LYS 49 34.170 -2.424 6.009
330 HA LYS 49 HA LYS 49 35.337 -5.180 6.301
331 1HB LYS 49 2HB LYS 49 34.601 -3.113 8.418
332 2HB LYS 49 1HB LYS 49 35.244 -4.707 8.756
333 1HG LYS 49 2HG LYS 49 37.249 -4.113 7.278
334 2HG LYS 49 1HG LYS 49 36.603 -2.488 7.158
335 1HD LYS 49 2HD LYS 49 38.274 -2.452 8.903
336 2HD LYS 49 1HD LYS 49 36.714 -2.328 9.690
337 1HE LYS 49 2HE LYS 49 36.767 -4.741 10.250
338 2HE LYS 49 1HE LYS 49 38.272 -4.932 9.361
339 1HZ LYS 49 2HZ LYS 49 38.586 -2.840 11.193
340 2HZ LYS 49 1HZ LYS 49 37.905 -4.163 12.010
341 3HZ LYS 49 3HZ LYS 49 39.360 -4.354 11.153
No H/Q in entry = 341
Start of MODEL 7
1 1H GLY 1 3H GLY 1 40.669 5.483 7.773
2 2H GLY 1 2H GLY 1 41.507 4.034 7.469
3 3H GLY 1 1H GLY 1 42.347 5.405 8.023
4 1HA GLY 1 2HA GLY 1 42.692 6.079 5.942
5 2HA GLY 1 1HA GLY 1 41.821 4.657 5.368
6 H VAL 2 H VAL 2 41.040 6.185 3.677
7 HA VAL 2 HA VAL 2 39.018 8.119 4.638
8 HB VAL 2 HB VAL 2 40.035 7.633 1.814
9 1HG1 VAL 2 2HG1 VAL 2 37.822 8.805 1.919
10 2HG1 VAL 2 1HG1 VAL 2 38.507 9.994 3.012
11 3HG1 VAL 2 3HG1 VAL 2 39.073 9.894 1.358
12 1HG2 VAL 2 3HG2 VAL 2 40.916 9.720 3.882
13 2HG2 VAL 2 2HG2 VAL 2 41.894 8.378 3.316
14 3HG2 VAL 2 1HG2 VAL 2 41.462 9.666 2.213
15 HA PRO 3 HA PRO 3 35.901 5.304 2.992
16 1HB PRO 3 2HB PRO 3 33.716 6.363 4.035
17 2HB PRO 3 1HB PRO 3 34.861 5.580 5.138
18 1HG PRO 3 2HG PRO 3 34.704 8.566 4.412
19 2HG PRO 3 1HG PRO 3 34.735 7.854 6.031
20 1HD PRO 3 2HD PRO 3 37.012 8.733 4.845
21 2HD PRO 3 1HD PRO 3 37.039 7.329 5.933
22 H CYS 4 H CYS 4 34.830 5.373 1.145
23 HA CYS 4 HA CYS 4 34.525 8.069 -0.178
24 1HB CYS 4 2HB CYS 4 35.134 7.063 -2.223
25 2HB CYS 4 1HB CYS 4 36.057 6.105 -1.097
26 H LEU 5 H LEU 5 32.812 7.005 -2.255
27 HA LEU 5 HA LEU 5 30.276 6.418 -0.756
28 1HB LEU 5 2HB LEU 5 30.560 8.771 -1.929
29 2HB LEU 5 1HB LEU 5 30.525 7.895 -3.438
30 HG LEU 5 HG LEU 5 28.306 7.957 -1.349
31 1HD1 LEU 5 3HD1 LEU 5 28.486 9.106 -4.174
32 2HD1 LEU 5 2HD1 LEU 5 27.058 9.153 -3.157
33 3HD1 LEU 5 1HD1 LEU 5 28.496 10.040 -2.683
34 1HD2 LEU 5 3HD2 LEU 5 28.330 6.532 -4.053
35 2HD2 LEU 5 2HD2 LEU 5 28.273 5.754 -2.477
36 3HD2 LEU 5 1HD2 LEU 5 26.933 6.731 -3.008
37 H CYS 6 H CYS 6 30.345 4.121 -1.123
38 HA CYS 6 HA CYS 6 31.348 3.151 -3.614
39 1HB CYS 6 2HB CYS 6 29.947 1.282 -1.670
40 2HB CYS 6 1HB CYS 6 31.332 1.100 -2.647
41 H ASP 7 H ASP 7 30.149 1.121 -4.305
42 HA ASP 7 HA ASP 7 27.921 2.107 -5.887
43 1HB ASP 7 2HB ASP 7 29.537 0.545 -6.880
44 2HB ASP 7 1HB ASP 7 29.186 -0.676 -5.671
45 H SER 8 H SER 8 28.165 -0.706 -3.727
46 HA SER 8 HA SER 8 25.252 -0.639 -3.275
47 1HB SER 8 2HB SER 8 26.102 -2.764 -1.816
48 2HB SER 8 1HB SER 8 26.055 -2.885 -3.584
49 HG SER 8 HG SER 8 28.226 -2.840 -1.962
50 H ASP 9 H ASP 9 27.281 1.347 -2.337
51 HA ASP 9 HA ASP 9 27.504 1.210 0.532
52 1HB ASP 9 2HB ASP 9 28.997 2.565 -0.677
53 2HB ASP 9 1HB ASP 9 27.826 3.443 -1.589
54 H GLY 10 H GLY 10 25.223 2.319 -1.750
55 1HA GLY 10 2HA GLY 10 22.821 2.392 -1.327
56 2HA GLY 10 1HA GLY 10 23.172 2.720 0.380
57 HA PRO 11 HA PRO 11 24.128 6.720 -2.095
58 1HB PRO 11 2HB PRO 11 22.869 7.217 -4.409
59 2HB PRO 11 1HB PRO 11 24.152 5.984 -4.406
60 1HG PRO 11 2HG PRO 11 21.130 5.527 -3.991
61 2HG PRO 11 1HG PRO 11 22.156 4.793 -5.225
62 1HD PRO 11 2HD PRO 11 21.759 3.462 -2.903
63 2HD PRO 11 1HD PRO 11 23.387 3.478 -3.607
64 H ARG 12 H ARG 12 22.522 6.229 -0.146
65 HA ARG 12 HA ARG 12 20.086 7.932 -0.415
66 1HB ARG 12 2HB ARG 12 20.816 5.669 1.409
67 2HB ARG 12 1HB ARG 12 19.616 6.820 1.947
68 1HG ARG 12 2HG ARG 12 18.413 6.373 -0.314
69 2HG ARG 12 1HG ARG 12 19.500 4.999 -0.487
70 1HD ARG 12 2HD ARG 12 18.746 4.106 1.693
71 2HD ARG 12 1HD ARG 12 17.713 5.509 1.926
72 HE ARG 12 HE ARG 12 16.181 4.656 0.323
73 1HH1 ARG 12 1HH2 ARG 12 17.902 2.273 1.629
74 2HH1 ARG 12 2HH2 ARG 12 17.823 1.137 0.326
75 1HH2 ARG 12 2HH1 ARG 12 16.517 3.562 -1.881
76 2HH2 ARG 12 1HH1 ARG 12 17.001 1.910 -1.752
77 HA PRO 13 HA PRO 13 21.739 10.968 2.374
78 1HB PRO 13 2HB PRO 13 19.592 11.992 3.602
79 2HB PRO 13 1HB PRO 13 19.748 12.052 1.833
80 1HG PRO 13 2HG PRO 13 18.392 9.830 3.491
81 2HG PRO 13 1HG PRO 13 17.600 10.872 2.306
82 1HD PRO 13 2HD PRO 13 18.559 8.527 1.465
83 2HD PRO 13 1HD PRO 13 18.878 9.954 0.464
84 H ARG 14 H ARG 14 22.344 8.603 3.258
85 HA ARG 14 HA ARG 14 22.726 8.969 6.054
86 1HB ARG 14 2HB ARG 14 21.583 6.711 6.683
87 2HB ARG 14 1HB ARG 14 20.497 8.050 6.402
88 1HG ARG 14 2HG ARG 14 19.648 7.162 4.443
89 2HG ARG 14 1HG ARG 14 21.165 6.455 3.942
90 1HD ARG 14 2HD ARG 14 19.463 5.335 6.207
91 2HD ARG 14 1HD ARG 14 19.433 4.738 4.547
92 HE ARG 14 HE ARG 14 21.932 4.750 6.211
93 1HH1 ARG 14 2HH1 ARG 14 22.473 4.179 3.508
94 2HH1 ARG 14 1HH1 ARG 14 22.305 2.469 3.347
95 1HH2 ARG 14 1HH2 ARG 14 20.451 2.261 6.360
96 2HH2 ARG 14 2HH2 ARG 14 21.094 1.320 5.063
97 H GLY 15 H GLY 15 24.555 8.325 6.552
98 1HA GLY 15 2HA GLY 15 26.474 6.980 6.763
99 2HA GLY 15 1HA GLY 15 25.633 5.714 5.876
100 H ASN 16 H ASN 16 25.031 7.215 3.679
101 HA ASN 16 HA ASN 16 26.110 6.803 1.525
102 1HB ASN 16 2HB ASN 16 24.836 8.915 1.925
103 2HB ASN 16 1HB ASN 16 26.355 9.739 2.250
104 1HD2 ASN 16 2HD2 ASN 16 26.491 10.260 -1.270
105 2HD2 ASN 16 1HD2 ASN 16 26.382 11.055 0.235
106 H THR 17 H THR 17 28.464 8.747 3.459
107 HA THR 17 HA THR 17 30.515 7.719 1.559
108 HB THR 17 HB THR 17 31.755 9.893 2.121
109 HG1 THR 17 HG1 THR 17 30.875 10.785 3.768
110 1HG2 THR 17 3HG2 THR 17 30.200 9.758 0.044
111 2HG2 THR 17 2HG2 THR 17 28.901 10.350 1.059
112 3HG2 THR 17 1HG2 THR 17 30.299 11.365 0.751
113 H LEU 18 H LEU 18 29.579 6.656 4.064
114 HA LEU 18 HA LEU 18 32.215 6.435 5.456
115 1HB LEU 18 2HB LEU 18 29.853 7.674 6.508
116 2HB LEU 18 1HB LEU 18 30.078 6.184 7.379
117 HG LEU 18 HG LEU 18 31.226 7.942 8.555
118 1HD1 LEU 18 1HD1 LEU 18 32.398 5.780 8.610
119 2HD1 LEU 18 3HD1 LEU 18 33.326 6.207 7.188
120 3HD1 LEU 18 2HD1 LEU 18 33.536 7.111 8.673
121 1HD2 LEU 18 2HD2 LEU 18 32.721 8.544 5.982
122 2HD2 LEU 18 1HD2 LEU 18 31.518 9.556 6.741
123 3HD2 LEU 18 3HD2 LEU 18 33.059 9.283 7.534
124 H SER 19 H SER 19 30.476 4.757 3.571
125 HA SER 19 HA SER 19 29.839 2.421 5.254
126 1HB SER 19 2HB SER 19 29.600 2.626 2.232
127 2HB SER 19 1HB SER 19 28.717 1.556 3.319
128 HG SER 19 HG SER 19 27.499 3.538 2.786
129 H GLY 20 H GLY 20 32.778 3.285 4.409
130 1HA GLY 20 2HA GLY 20 34.002 0.784 4.678
131 2HA GLY 20 1HA GLY 20 33.749 0.974 2.939
132 H ILE 21 H ILE 21 36.271 0.813 3.428
133 HA ILE 21 HA ILE 21 37.299 3.627 3.352
134 HB ILE 21 HB ILE 21 38.664 1.285 4.740
135 1HG1 ILE 21 2HG1 ILE 21 36.720 2.167 6.077
136 2HG1 ILE 21 1HG1 ILE 21 38.249 2.419 6.876
137 1HG2 ILE 21 3HG2 ILE 21 39.542 4.164 4.490
138 2HG2 ILE 21 2HG2 ILE 21 40.311 2.968 5.524
139 3HG2 ILE 21 1HG2 ILE 21 40.331 2.766 3.786
140 1HD1 ILE 21 1HD1 ILE 21 36.810 4.532 5.244
141 2HD1 ILE 21 3HD1 ILE 21 36.798 4.438 6.993
142 3HD1 ILE 21 2HD1 ILE 21 38.292 4.799 6.144
143 H LEU 22 H LEU 22 38.939 4.027 1.906
144 HA LEU 22 HA LEU 22 39.186 2.295 -0.381
145 1HB LEU 22 2HB LEU 22 40.892 3.878 -1.188
146 2HB LEU 22 1HB LEU 22 39.502 4.718 -0.577
147 HG LEU 22 HG LEU 22 40.842 5.155 1.595
148 1HD1 LEU 22 1HD1 LEU 22 43.153 4.262 -0.187
149 2HD1 LEU 22 3HD1 LEU 22 43.327 5.069 1.360
150 3HD1 LEU 22 2HD1 LEU 22 42.685 3.461 1.296
151 1HD2 LEU 22 3HD2 LEU 22 40.552 6.895 -0.211
152 2HD2 LEU 22 2HD2 LEU 22 42.139 7.038 0.523
153 3HD2 LEU 22 1HD2 LEU 22 41.963 6.261 -1.040
154 H TRP 23 H TRP 23 41.089 1.087 -1.085
155 HA TRP 23 HA TRP 23 42.960 0.437 1.064
156 1HB TRP 23 2HB TRP 23 41.070 -1.431 -0.290
157 2HB TRP 23 1HB TRP 23 42.676 -2.059 -0.006
158 HD1 TRP 23 HD1 TRP 23 39.563 -1.232 2.028
159 HE1 TRP 23 HE1 TRP 23 40.095 -1.369 4.457
160 HE3 TRP 23 HE3 TRP 23 44.478 -1.523 1.549
161 HZ2 TRP 23 HZ2 TRP 23 42.422 -1.503 6.038
162 HZ3 TRP 23 HZ3 TRP 23 45.961 -1.586 3.489
163 HH2 TRP 23 HH2 TRP 23 44.916 -1.606 5.809
164 H PHE 24 H PHE 24 44.754 0.158 0.817
165 HA PHE 24 HA PHE 24 46.031 0.470 -1.772
166 1HB PHE 24 2HB PHE 24 46.639 0.876 1.134
167 2HB PHE 24 1HB PHE 24 48.032 0.411 0.253
168 HD1 PHE 24 HD1 PHE 24 45.029 2.699 -0.105
169 HD2 PHE 24 HD2 PHE 24 49.234 2.253 -0.687
170 HE1 PHE 24 HE1 PHE 24 45.172 5.019 -0.884
171 HE2 PHE 24 HE2 PHE 24 49.365 4.577 -1.459
172 HZ PHE 24 HZ PHE 24 47.332 5.965 -1.558
173 H TYR 25 H TYR 25 44.944 -1.875 -1.906
174 HA TYR 25 HA TYR 25 47.199 -3.730 -1.509
175 1HB TYR 25 2HB TYR 25 44.341 -4.077 -0.784
176 2HB TYR 25 1HB TYR 25 45.032 -5.440 -1.622
177 HD1 TYR 25 HD2 TYR 25 45.954 -3.058 1.139
178 HD2 TYR 25 HD1 TYR 25 46.213 -7.005 -0.415
179 HE1 TYR 25 HE2 TYR 25 47.125 -3.762 3.167
180 HE2 TYR 25 HE1 TYR 25 47.395 -7.715 1.628
181 HH TYR 25 HH TYR 25 48.759 -5.627 3.819
182 HA PRO 26 HA PRO 26 46.872 -4.328 -5.870
183 1HB PRO 26 2HB PRO 26 48.756 -6.260 -6.188
184 2HB PRO 26 1HB PRO 26 49.237 -4.656 -5.600
185 1HG PRO 26 2HG PRO 26 48.454 -7.115 -3.901
186 2HG PRO 26 1HG PRO 26 49.961 -6.203 -3.825
187 1HD PRO 26 2HD PRO 26 47.923 -5.524 -2.135
188 2HD PRO 26 1HD PRO 26 48.848 -4.211 -2.886
189 H SER 27 H SER 27 46.188 -6.803 -3.585
190 HA SER 27 HA SER 27 44.969 -8.564 -5.618
191 1HB SER 27 2HB SER 27 44.660 -9.975 -3.414
192 2HB SER 27 1HB SER 27 46.324 -9.730 -3.974
193 HG SER 27 HG SER 27 45.107 -8.788 -1.764
194 H GLY 28 H GLY 28 43.947 -5.891 -4.688
195 1HA GLY 28 2HA GLY 28 41.680 -5.081 -4.751
196 2HA GLY 28 1HA GLY 28 41.112 -6.719 -4.403
197 H CYS 29 H CYS 29 39.963 -6.368 -2.454
198 HA CYS 29 HA CYS 29 40.885 -4.586 -0.437
199 1HB CYS 29 2HB CYS 29 39.019 -6.939 -0.070
200 2HB CYS 29 1HB CYS 29 39.103 -5.449 0.820
201 HA PRO 30 HA PRO 30 43.506 -7.471 1.758
202 1HB PRO 30 2HB PRO 30 43.973 -6.205 4.054
203 2HB PRO 30 1HB PRO 30 44.481 -5.441 2.537
204 1HG PRO 30 2HG PRO 30 41.804 -5.153 3.938
205 2HG PRO 30 1HG PRO 30 42.928 -3.855 3.684
206 1HD PRO 30 2HD PRO 30 40.931 -4.313 1.906
207 2HD PRO 30 1HD PRO 30 42.542 -3.961 1.242
208 H SER 31 H SER 31 43.531 -8.835 3.545
209 HA SER 31 HA SER 31 41.272 -10.325 3.984
210 1HB SER 31 2HB SER 31 43.617 -11.083 4.657
211 2HB SER 31 1HB SER 31 43.501 -9.998 6.056
212 HG SER 31 HG SER 31 42.252 -11.462 6.961
213 H GLY 32 H GLY 32 39.647 -10.116 5.067
214 1HA GLY 32 2HA GLY 32 38.279 -9.602 7.067
215 2HA GLY 32 1HA GLY 32 39.401 -8.299 7.446
216 H TRP 33 H TRP 33 39.048 -7.916 4.280
217 HA TRP 33 HA TRP 33 36.730 -6.130 4.616
218 1HB TRP 33 2HB TRP 33 39.117 -6.005 2.726
219 2HB TRP 33 1HB TRP 33 37.821 -4.836 2.720
220 HD1 TRP 33 HD1 TRP 33 40.472 -6.201 5.262
221 HE1 TRP 33 HE1 TRP 33 41.046 -4.381 6.884
222 HE3 TRP 33 HE3 TRP 33 37.336 -2.685 3.522
223 HZ2 TRP 33 HZ2 TRP 33 40.306 -1.777 7.362
224 HZ3 TRP 33 HZ3 TRP 33 37.297 -0.483 4.573
225 HH2 TRP 33 HH2 TRP 33 38.807 -0.015 6.530
226 H HIS 34 H HIS 34 35.453 -5.892 2.595
227 HA HIS 34 HA HIS 34 35.645 -8.285 0.807
228 1HB HIS 34 2HB HIS 34 34.325 -8.875 2.796
229 2HB HIS 34 1HB HIS 34 33.234 -7.538 2.502
230 HD1 HIS 34 HD1 HIS 34 34.267 -10.816 1.010
231 HD2 HIS 34 HD2 HIS 34 31.199 -8.019 0.744
232 HE1 HIS 34 HE1 HIS 34 32.424 -11.758 -0.400
233 H ASN 35 H ASN 35 36.026 -5.493 0.431
234 HA ASN 35 HA ASN 35 35.757 -3.852 -1.169
235 1HB ASN 35 2HB ASN 35 35.907 -5.727 -2.782
236 2HB ASN 35 1HB ASN 35 34.166 -5.952 -2.661
237 1HD2 ASN 35 2HD2 ASN 35 35.318 -2.395 -4.371
238 2HD2 ASN 35 1HD2 ASN 35 36.192 -2.910 -3.016
239 H CYS 36 H CYS 36 34.498 -2.218 -1.817
240 HA CYS 36 HA CYS 36 31.675 -2.218 -0.896
241 1HB CYS 36 2HB CYS 36 32.163 -0.265 0.213
242 2HB CYS 36 1HB CYS 36 33.769 -0.865 0.189
243 H LYS 37 H LYS 37 33.993 -0.873 -3.183
244 HA LYS 37 HA LYS 37 31.771 -0.816 -5.221
245 1HB LYS 37 2HB LYS 37 32.317 1.523 -4.361
246 2HB LYS 37 1HB LYS 37 33.928 1.333 -5.012
247 1HG LYS 37 2HG LYS 37 33.213 1.481 -7.213
248 2HG LYS 37 1HG LYS 37 31.693 0.675 -6.920
249 1HD LYS 37 2HD LYS 37 31.131 2.938 -7.450
250 2HD LYS 37 1HD LYS 37 30.923 2.828 -5.727
251 1HE LYS 37 2HE LYS 37 32.108 4.857 -6.040
252 2HE LYS 37 1HE LYS 37 33.364 3.728 -5.554
253 1HZ LYS 37 3HZ LYS 37 32.994 3.554 -8.324
254 2HZ LYS 37 2HZ LYS 37 33.188 5.188 -7.908
255 3HZ LYS 37 1HZ LYS 37 34.368 4.028 -7.498
256 H ALA 38 H ALA 38 32.273 -1.998 -6.899
257 HA ALA 38 HA ALA 38 35.035 -2.978 -7.291
258 1HB ALA 38 1HB ALA 38 32.451 -3.590 -8.777
259 2HB ALA 38 3HB ALA 38 33.976 -4.436 -8.984
260 3HB ALA 38 2HB ALA 38 33.113 -4.553 -7.452
261 H HIS 39 H HIS 39 34.071 -0.170 -7.756
262 HA HIS 39 HA HIS 39 35.159 0.091 -10.535
263 1HB HIS 39 2HB HIS 39 32.861 1.740 -9.394
264 2HB HIS 39 1HB HIS 39 33.398 1.723 -11.071
265 HD1 HIS 39 HD1 HIS 39 33.589 -1.351 -11.408
266 HD2 HIS 39 HD2 HIS 39 30.506 0.638 -9.416
267 HE1 HIS 39 HE1 HIS 39 31.597 -2.784 -11.346
268 H GLY 40 H GLY 40 37.061 0.312 -9.289
269 1HA GLY 40 2HA GLY 40 38.844 1.674 -8.589
270 2HA GLY 40 1HA GLY 40 37.827 3.065 -8.977
271 HA PRO 41 HA PRO 41 38.777 4.635 -8.009
272 1HB PRO 41 2HB PRO 41 40.220 6.059 -6.203
273 2HB PRO 41 1HB PRO 41 38.454 6.192 -6.214
274 1HG PRO 41 2HG PRO 41 40.174 4.300 -4.561
275 2HG PRO 41 1HG PRO 41 38.972 5.410 -3.930
276 1HD PRO 41 2HD PRO 41 38.230 2.904 -4.346
277 2HD PRO 41 1HD PRO 41 37.106 4.198 -4.812
278 H ASN 42 H ASN 42 41.359 5.094 -8.280
279 HA ASN 42 HA ASN 42 42.613 2.428 -8.248
280 1HB ASN 42 2HB ASN 42 43.647 5.041 -9.510
281 2HB ASN 42 1HB ASN 42 44.164 3.413 -9.898
282 1HD2 ASN 42 1HD2 ASN 42 42.064 1.961 -10.626
283 2HD2 ASN 42 2HD2 ASN 42 41.089 2.771 -11.758
284 H ILE 43 H ILE 43 42.254 5.164 -6.534
285 HA ILE 43 HA ILE 43 44.887 5.065 -5.583
286 HB ILE 43 HB ILE 43 42.637 6.882 -4.478
287 1HG1 ILE 43 2HG1 ILE 43 44.601 7.421 -6.800
288 2HG1 ILE 43 1HG1 ILE 43 42.896 7.107 -7.023
289 1HG2 ILE 43 3HG2 ILE 43 44.814 6.810 -3.162
290 2HG2 ILE 43 2HG2 ILE 43 45.684 7.304 -4.597
291 3HG2 ILE 43 1HG2 ILE 43 44.532 8.388 -3.843
292 1HD1 ILE 43 1HD1 ILE 43 42.322 9.156 -5.738
293 2HD1 ILE 43 3HD1 ILE 43 44.029 9.518 -5.540
294 3HD1 ILE 43 2HD1 ILE 43 43.317 9.516 -7.134
295 H GLY 44 H GLY 44 43.231 2.969 -5.261
296 1HA GLY 44 2HA GLY 44 43.545 1.303 -3.552
297 2HA GLY 44 1HA GLY 44 43.123 2.455 -2.301
298 H TRP 45 H TRP 45 42.067 -0.174 -3.231
299 HA TRP 45 HA TRP 45 39.463 0.147 -4.387
300 1HB TRP 45 2HB TRP 45 40.169 -2.048 -2.398
301 2HB TRP 45 1HB TRP 45 38.986 -2.108 -3.688
302 HD1 TRP 45 HD1 TRP 45 42.810 -2.047 -3.151
303 HE1 TRP 45 HE1 TRP 45 43.949 -2.941 -5.135
304 HE3 TRP 45 HE3 TRP 45 38.761 -2.490 -6.167
305 HZ2 TRP 45 HZ2 TRP 45 43.302 -3.751 -7.681
306 HZ3 TRP 45 HZ3 TRP 45 39.101 -3.364 -8.458
307 HH2 TRP 45 HH2 TRP 45 41.369 -3.997 -9.219
308 H CYS 46 H CYS 46 37.480 0.894 -3.495
309 HA CYS 46 HA CYS 46 37.533 1.571 -0.618
310 1HB CYS 46 2HB CYS 46 36.762 3.097 -2.558
311 2HB CYS 46 1HB CYS 46 35.502 1.930 -2.786
312 H CYS 47 H CYS 47 37.234 0.084 0.499
313 HA CYS 47 HA CYS 47 35.341 -2.084 -0.103
314 1HB CYS 47 2HB CYS 47 38.070 -2.090 1.110
315 2HB CYS 47 1HB CYS 47 37.093 -3.481 1.223
316 H LYS 48 H LYS 48 35.252 -3.429 2.201
317 HA LYS 48 HA LYS 48 35.134 -1.452 4.289
318 1HB LYS 48 2HB LYS 48 32.939 -1.534 4.813
319 2HB LYS 48 1HB LYS 48 32.924 -1.374 3.075
320 1HG LYS 48 2HG LYS 48 32.507 -3.932 4.660
321 2HG LYS 48 1HG LYS 48 31.345 -2.963 3.805
322 1HD LYS 48 2HD LYS 48 32.956 -3.222 1.810
323 2HD LYS 48 1HD LYS 48 33.752 -4.436 2.720
324 1HE LYS 48 2HE LYS 48 32.228 -5.763 1.400
325 2HE LYS 48 1HE LYS 48 31.704 -5.804 3.066
326 1HZ LYS 48 1HZ LYS 48 30.468 -3.641 1.791
327 2HZ LYS 48 3HZ LYS 48 30.301 -5.024 0.830
328 3HZ LYS 48 2HZ LYS 48 29.755 -5.049 2.444
329 H LYS 49 H LYS 49 34.418 -2.443 6.202
330 HA LYS 49 HA LYS 49 35.675 -5.152 6.512
331 1HB LYS 49 2HB LYS 49 34.885 -3.087 8.605
332 2HB LYS 49 1HB LYS 49 35.601 -4.645 8.963
333 1HG LYS 49 2HG LYS 49 37.517 -3.957 7.358
334 2HG LYS 49 1HG LYS 49 36.812 -2.353 7.359
335 1HD LYS 49 2HD LYS 49 38.584 -2.369 9.014
336 2HD LYS 49 1HD LYS 49 37.059 -2.298 9.873
337 1HE LYS 49 2HE LYS 49 37.166 -4.743 10.316
338 2HE LYS 49 1HE LYS 49 38.638 -4.866 9.364
339 1HZ LYS 49 1HZ LYS 49 38.993 -2.861 11.268
340 2HZ LYS 49 3HZ LYS 49 38.341 -4.213 12.056
341 3HZ LYS 49 2HZ LYS 49 39.774 -4.368 11.162
No H/Q in entry = 341
Start of MODEL 8
1 1H GLY 1 1H GLY 1 42.497 5.281 7.127
2 2H GLY 1 3H GLY 1 43.094 3.768 6.643
3 3H GLY 1 2H GLY 1 44.143 5.106 6.730
4 1HA GLY 1 2HA GLY 1 43.697 5.619 4.629
5 2HA GLY 1 1HA GLY 1 42.594 4.233 4.545
6 H VAL 2 H VAL 2 41.827 6.378 3.112
7 HA VAL 2 HA VAL 2 39.943 7.943 4.776
8 HB VAL 2 HB VAL 2 40.783 8.272 1.852
9 1HG1 VAL 2 1HG1 VAL 2 38.539 9.269 2.285
10 2HG1 VAL 2 3HG1 VAL 2 39.210 10.213 3.611
11 3HG1 VAL 2 2HG1 VAL 2 39.738 10.499 1.966
12 1HG2 VAL 2 2HG2 VAL 2 41.611 9.830 4.348
13 2HG2 VAL 2 1HG2 VAL 2 42.643 8.717 3.467
14 3HG2 VAL 2 3HG2 VAL 2 42.119 10.207 2.707
15 HA PRO 3 HA PRO 3 36.610 5.470 3.023
16 1HB PRO 3 2HB PRO 3 34.463 6.741 3.948
17 2HB PRO 3 1HB PRO 3 35.563 5.979 5.107
18 1HG PRO 3 2HG PRO 3 35.655 8.890 4.084
19 2HG PRO 3 1HG PRO 3 35.506 8.376 5.766
20 1HD PRO 3 2HD PRO 3 37.958 8.903 4.784
21 2HD PRO 3 1HD PRO 3 37.755 7.482 5.823
22 H CYS 4 H CYS 4 34.918 5.591 1.561
23 HA CYS 4 HA CYS 4 34.558 8.008 -0.037
24 1HB CYS 4 2HB CYS 4 35.076 6.172 -2.029
25 2HB CYS 4 1HB CYS 4 36.233 7.359 -1.459
26 H LEU 5 H LEU 5 32.789 7.571 -1.707
27 HA LEU 5 HA LEU 5 30.692 5.995 -0.425
28 1HB LEU 5 2HB LEU 5 30.222 8.237 -1.534
29 2HB LEU 5 1HB LEU 5 30.706 7.564 -3.079
30 HG LEU 5 HG LEU 5 28.495 6.095 -1.601
31 1HD1 LEU 5 1HD1 LEU 5 28.041 8.755 -3.022
32 2HD1 LEU 5 3HD1 LEU 5 26.796 7.672 -2.408
33 3HD1 LEU 5 2HD1 LEU 5 27.877 8.476 -1.292
34 1HD2 LEU 5 2HD2 LEU 5 29.320 5.430 -3.985
35 2HD2 LEU 5 1HD2 LEU 5 27.626 5.851 -3.908
36 3HD2 LEU 5 3HD2 LEU 5 28.792 7.000 -4.520
37 H CYS 6 H CYS 6 29.514 4.417 -1.959
38 HA CYS 6 HA CYS 6 31.385 3.095 -3.769
39 1HB CYS 6 2HB CYS 6 30.005 1.317 -1.772
40 2HB CYS 6 1HB CYS 6 31.452 1.157 -2.701
41 H ASP 7 H ASP 7 30.402 0.909 -4.390
42 HA ASP 7 HA ASP 7 28.124 1.600 -6.112
43 1HB ASP 7 2HB ASP 7 29.917 0.086 -6.973
44 2HB ASP 7 1HB ASP 7 29.571 -1.069 -5.695
45 H SER 8 H SER 8 28.725 -0.211 -3.209
46 HA SER 8 HA SER 8 25.827 -0.858 -2.956
47 1HB SER 8 2HB SER 8 26.672 -2.601 -1.338
48 2HB SER 8 1HB SER 8 27.350 -2.806 -2.971
49 HG SER 8 HG SER 8 28.806 -2.520 -0.922
50 H ASP 9 H ASP 9 28.282 1.048 -1.698
51 HA ASP 9 HA ASP 9 28.125 1.428 0.966
52 1HB ASP 9 2HB ASP 9 29.478 2.934 -0.242
53 2HB ASP 9 1HB ASP 9 28.205 3.496 -1.274
54 H GLY 10 H GLY 10 25.648 2.445 -1.192
55 1HA GLY 10 2HA GLY 10 23.322 2.076 -0.038
56 2HA GLY 10 1HA GLY 10 23.906 3.389 1.017
57 HA PRO 11 HA PRO 11 22.823 4.540 -3.555
58 1HB PRO 11 2HB PRO 11 20.152 4.626 -3.921
59 2HB PRO 11 1HB PRO 11 20.974 3.055 -3.843
60 1HG PRO 11 2HG PRO 11 19.734 4.621 -1.492
61 2HG PRO 11 1HG PRO 11 19.278 3.002 -2.042
62 1HD PRO 11 2HD PRO 11 21.106 3.230 -0.075
63 2HD PRO 11 1HD PRO 11 21.421 2.063 -1.377
64 H ARG 12 H ARG 12 23.081 6.177 -1.041
65 HA ARG 12 HA ARG 12 21.550 8.603 -1.923
66 1HB ARG 12 2HB ARG 12 22.578 7.757 0.775
67 2HB ARG 12 1HB ARG 12 22.163 9.429 0.431
68 1HG ARG 12 2HG ARG 12 19.911 8.604 -0.454
69 2HG ARG 12 1HG ARG 12 20.334 7.001 0.132
70 1HD ARG 12 2HD ARG 12 20.406 7.790 2.423
71 2HD ARG 12 1HD ARG 12 20.240 9.473 1.896
72 HE ARG 12 HE ARG 12 18.006 8.431 0.832
73 1HH1 ARG 12 1HH2 ARG 12 17.450 6.171 2.185
74 2HH1 ARG 12 2HH2 ARG 12 16.810 6.605 3.730
75 1HH2 ARG 12 2HH1 ARG 12 18.112 9.864 3.525
76 2HH2 ARG 12 1HH1 ARG 12 17.205 8.781 4.520
77 HA PRO 13 HA PRO 13 25.805 9.772 -3.074
78 1HB PRO 13 2HB PRO 13 25.226 11.335 -5.228
79 2HB PRO 13 1HB PRO 13 25.025 9.577 -5.360
80 1HG PRO 13 2HG PRO 13 22.908 11.646 -4.514
81 2HG PRO 13 1HG PRO 13 22.812 10.510 -5.866
82 1HD PRO 13 2HD PRO 13 21.736 9.862 -3.503
83 2HD PRO 13 1HD PRO 13 22.609 8.596 -4.388
84 H ARG 14 H ARG 14 26.789 12.004 -3.296
85 HA ARG 14 HA ARG 14 27.296 14.040 -2.324
86 1HB ARG 14 2HB ARG 14 24.242 14.411 -2.197
87 2HB ARG 14 1HB ARG 14 25.489 15.638 -2.167
88 1HG ARG 14 2HG ARG 14 26.172 15.192 -4.445
89 2HG ARG 14 1HG ARG 14 25.138 13.779 -4.539
90 1HD ARG 14 2HD ARG 14 24.103 15.727 -5.681
91 2HD ARG 14 1HD ARG 14 23.123 15.206 -4.315
92 HE ARG 14 HE ARG 14 24.939 17.222 -3.418
93 1HH1 ARG 14 2HH1 ARG 14 21.817 16.826 -3.471
94 2HH1 ARG 14 1HH1 ARG 14 21.333 18.354 -4.117
95 1HH2 ARG 14 1HH2 ARG 14 24.611 19.144 -5.125
96 2HH2 ARG 14 2HH2 ARG 14 22.983 19.712 -5.074
97 H GLY 15 H GLY 15 26.195 15.455 -0.208
98 1HA GLY 15 2HA GLY 15 25.822 15.362 2.125
99 2HA GLY 15 1HA GLY 15 25.378 13.672 1.940
100 H ASN 16 H ASN 16 27.630 12.552 1.000
101 HA ASN 16 HA ASN 16 29.943 12.066 1.332
102 1HB ASN 16 2HB ASN 16 30.237 14.370 2.576
103 2HB ASN 16 1HB ASN 16 29.770 13.510 4.034
104 1HD2 ASN 16 2HD2 ASN 16 33.459 12.871 2.530
105 2HD2 ASN 16 1HD2 ASN 16 32.350 13.797 1.616
106 H THR 17 H THR 17 29.133 9.916 1.459
107 HA THR 17 HA THR 17 28.058 8.948 3.999
108 HB THR 17 HB THR 17 27.746 6.805 2.509
109 HG1 THR 17 HG1 THR 17 29.073 6.946 0.884
110 1HG2 THR 17 2HG2 THR 17 26.786 9.422 1.190
111 2HG2 THR 17 1HG2 THR 17 26.069 7.837 0.997
112 3HG2 THR 17 3HG2 THR 17 25.954 8.671 2.537
113 H LEU 18 H LEU 18 28.930 6.944 4.964
114 HA LEU 18 HA LEU 18 31.812 6.444 4.419
115 1HB LEU 18 2HB LEU 18 31.283 8.193 6.368
116 2HB LEU 18 1HB LEU 18 30.872 6.768 7.302
117 HG LEU 18 HG LEU 18 33.541 7.348 5.957
118 1HD1 LEU 18 1HD1 LEU 18 32.786 7.218 8.906
119 2HD1 LEU 18 3HD1 LEU 18 34.411 7.452 8.282
120 3HD1 LEU 18 2HD1 LEU 18 33.182 8.671 8.003
121 1HD2 LEU 18 2HD2 LEU 18 32.773 4.931 7.659
122 2HD2 LEU 18 1HD2 LEU 18 33.164 4.882 5.952
123 3HD2 LEU 18 3HD2 LEU 18 34.401 5.298 7.110
124 H SER 19 H SER 19 30.511 4.585 3.456
125 HA SER 19 HA SER 19 29.525 2.617 5.423
126 1HB SER 19 2HB SER 19 29.673 2.408 2.386
127 2HB SER 19 1HB SER 19 28.744 1.359 3.478
128 HG SER 19 HG SER 19 27.234 2.870 3.132
129 H GLY 20 H GLY 20 32.507 3.273 3.907
130 1HA GLY 20 2HA GLY 20 33.747 0.912 5.047
131 2HA GLY 20 1HA GLY 20 33.654 0.832 3.285
132 H ILE 21 H ILE 21 36.061 0.826 3.444
133 HA ILE 21 HA ILE 21 37.084 3.635 3.477
134 HB ILE 21 HB ILE 21 38.072 1.263 5.052
135 1HG1 ILE 21 2HG1 ILE 21 36.604 3.023 6.110
136 2HG1 ILE 21 1HG1 ILE 21 38.114 2.748 6.947
137 1HG2 ILE 21 1HG2 ILE 21 39.918 3.529 4.264
138 2HG2 ILE 21 3HG2 ILE 21 40.237 2.376 5.551
139 3HG2 ILE 21 2HG2 ILE 21 40.112 1.822 3.902
140 1HD1 ILE 21 2HD1 ILE 21 37.579 4.999 4.973
141 2HD1 ILE 21 1HD1 ILE 21 37.659 5.190 6.696
142 3HD1 ILE 21 3HD1 ILE 21 39.098 4.771 5.810
143 H LEU 22 H LEU 22 38.799 4.156 2.003
144 HA LEU 22 HA LEU 22 39.005 2.494 -0.336
145 1HB LEU 22 2HB LEU 22 40.611 4.119 -1.161
146 2HB LEU 22 1HB LEU 22 39.406 4.997 -0.254
147 HG LEU 22 HG LEU 22 41.057 4.993 1.719
148 1HD1 LEU 22 3HD1 LEU 22 43.043 4.303 -0.487
149 2HD1 LEU 22 2HD1 LEU 22 43.467 4.857 1.119
150 3HD1 LEU 22 1HD1 LEU 22 42.730 3.299 0.913
151 1HD2 LEU 22 2HD2 LEU 22 40.585 6.972 0.231
152 2HD2 LEU 22 1HD2 LEU 22 42.282 6.982 0.697
153 3HD2 LEU 22 3HD2 LEU 22 41.800 6.419 -0.896
154 H TRP 23 H TRP 23 40.830 1.180 -1.013
155 HA TRP 23 HA TRP 23 42.675 0.504 1.171
156 1HB TRP 23 2HB TRP 23 40.680 -1.273 -0.115
157 2HB TRP 23 1HB TRP 23 42.260 -2.010 0.086
158 HD1 TRP 23 HD1 TRP 23 39.286 -0.972 2.212
159 HE1 TRP 23 HE1 TRP 23 39.860 -1.269 4.650
160 HE3 TRP 23 HE3 TRP 23 44.134 -1.721 1.604
161 HZ2 TRP 23 HZ2 TRP 23 42.186 -1.699 6.157
162 HZ3 TRP 23 HZ3 TRP 23 45.635 -2.031 3.526
163 HH2 TRP 23 HH2 TRP 23 44.642 -2.038 5.859
164 H PHE 24 H PHE 24 44.432 0.021 0.908
165 HA PHE 24 HA PHE 24 45.728 0.403 -1.675
166 1HB PHE 24 2HB PHE 24 46.347 0.672 1.220
167 2HB PHE 24 1HB PHE 24 47.716 0.073 0.388
168 HD1 PHE 24 HD1 PHE 24 45.052 2.731 0.197
169 HD2 PHE 24 HD2 PHE 24 49.102 1.746 -0.697
170 HE1 PHE 24 HE1 PHE 24 45.463 5.045 -0.495
171 HE2 PHE 24 HE2 PHE 24 49.511 4.065 -1.388
172 HZ PHE 24 HZ PHE 24 47.689 5.721 -1.289
173 H TYR 25 H TYR 25 44.489 -2.153 -1.648
174 HA TYR 25 HA TYR 25 46.836 -3.877 -1.504
175 1HB TYR 25 2HB TYR 25 44.087 -4.363 -0.612
176 2HB TYR 25 1HB TYR 25 44.655 -5.671 -1.621
177 HD1 TYR 25 HD1 TYR 25 46.893 -3.576 0.455
178 HD2 TYR 25 HD2 TYR 25 44.861 -7.282 0.141
179 HE1 TYR 25 HE1 TYR 25 48.212 -4.440 2.333
180 HE2 TYR 25 HE2 TYR 25 46.187 -8.165 2.014
181 HH TYR 25 HH TYR 25 47.502 -7.348 3.940
182 HA PRO 26 HA PRO 26 46.737 -4.210 -5.700
183 1HB PRO 26 2HB PRO 26 48.682 -6.130 -6.102
184 2HB PRO 26 1HB PRO 26 49.102 -4.535 -5.457
185 1HG PRO 26 2HG PRO 26 48.381 -7.074 -3.861
186 2HG PRO 26 1HG PRO 26 49.839 -6.092 -3.707
187 1HD PRO 26 2HD PRO 26 47.726 -5.566 -2.048
188 2HD PRO 26 1HD PRO 26 48.556 -4.164 -2.747
189 H SER 27 H SER 27 46.016 -6.670 -3.575
190 HA SER 27 HA SER 27 44.882 -8.561 -5.500
191 1HB SER 27 2HB SER 27 44.344 -9.611 -3.024
192 2HB SER 27 1HB SER 27 45.949 -9.765 -3.751
193 HG SER 27 HG SER 27 46.610 -8.577 -2.153
194 H GLY 28 H GLY 28 43.885 -5.745 -4.237
195 1HA GLY 28 2HA GLY 28 41.631 -4.916 -4.698
196 2HA GLY 28 1HA GLY 28 40.986 -6.514 -4.282
197 H CYS 29 H CYS 29 40.186 -6.617 -2.176
198 HA CYS 29 HA CYS 29 40.977 -4.553 -0.264
199 1HB CYS 29 2HB CYS 29 38.978 -6.756 0.204
200 2HB CYS 29 1HB CYS 29 39.114 -5.158 0.858
201 HA PRO 30 HA PRO 30 43.508 -7.517 1.881
202 1HB PRO 30 2HB PRO 30 44.007 -6.325 4.235
203 2HB PRO 30 1HB PRO 30 44.446 -5.471 2.737
204 1HG PRO 30 2HG PRO 30 41.815 -5.352 4.204
205 2HG PRO 30 1HG PRO 30 42.898 -4.008 3.975
206 1HD PRO 30 2HD PRO 30 40.908 -4.392 2.180
207 2HD PRO 30 1HD PRO 30 42.528 -4.026 1.547
208 H SER 31 H SER 31 43.762 -8.588 4.009
209 HA SER 31 HA SER 31 41.848 -10.536 4.353
210 1HB SER 31 2HB SER 31 43.160 -10.906 6.576
211 2HB SER 31 1HB SER 31 44.144 -10.849 5.108
212 HG SER 31 HG SER 31 43.424 -8.544 6.591
213 H GLY 32 H GLY 32 39.791 -10.043 4.781
214 1HA GLY 32 2HA GLY 32 38.218 -9.909 6.741
215 2HA GLY 32 1HA GLY 32 39.223 -8.618 7.373
216 H TRP 33 H TRP 33 39.027 -8.056 4.139
217 HA TRP 33 HA TRP 33 36.693 -6.267 4.519
218 1HB TRP 33 2HB TRP 33 39.139 -6.007 2.716
219 2HB TRP 33 1HB TRP 33 37.806 -4.874 2.771
220 HD1 TRP 33 HD1 TRP 33 40.361 -6.382 5.330
221 HE1 TRP 33 HE1 TRP 33 40.866 -4.665 7.076
222 HE3 TRP 33 HE3 TRP 33 37.328 -2.816 3.612
223 HZ2 TRP 33 HZ2 TRP 33 40.054 -2.028 7.651
224 HZ3 TRP 33 HZ3 TRP 33 37.185 -0.661 4.752
225 HH2 TRP 33 HH2 TRP 33 38.574 -0.252 6.806
226 H HIS 34 H HIS 34 35.477 -5.897 2.458
227 HA HIS 34 HA HIS 34 35.769 -8.153 0.524
228 1HB HIS 34 2HB HIS 34 34.413 -8.903 2.477
229 2HB HIS 34 1HB HIS 34 33.238 -7.648 2.111
230 HD1 HIS 34 HD1 HIS 34 34.791 -10.673 0.497
231 HD2 HIS 34 HD2 HIS 34 31.355 -8.344 0.288
232 HE1 HIS 34 HE1 HIS 34 33.185 -11.742 -1.085
233 H ASN 35 H ASN 35 36.146 -5.435 0.146
234 HA ASN 35 HA ASN 35 35.796 -3.769 -1.405
235 1HB ASN 35 2HB ASN 35 35.813 -5.644 -3.032
236 2HB ASN 35 1HB ASN 35 34.069 -5.808 -2.839
237 1HD2 ASN 35 2HD2 ASN 35 35.578 -2.490 -4.731
238 2HD2 ASN 35 1HD2 ASN 35 36.595 -3.410 -3.726
239 H CYS 36 H CYS 36 34.506 -2.135 -2.056
240 HA CYS 36 HA CYS 36 31.692 -2.098 -1.130
241 1HB CYS 36 2HB CYS 36 32.214 -0.292 0.165
242 2HB CYS 36 1HB CYS 36 33.822 -0.856 0.057
243 H LYS 37 H LYS 37 34.131 -0.727 -3.251
244 HA LYS 37 HA LYS 37 31.977 -0.299 -5.294
245 1HB LYS 37 2HB LYS 37 32.930 1.921 -4.377
246 2HB LYS 37 1HB LYS 37 34.500 1.437 -4.975
247 1HG LYS 37 2HG LYS 37 33.689 1.307 -7.271
248 2HG LYS 37 1HG LYS 37 32.036 1.559 -6.778
249 1HD LYS 37 2HD LYS 37 34.222 3.669 -6.483
250 2HD LYS 37 1HD LYS 37 33.175 3.555 -7.878
251 1HE LYS 37 2HE LYS 37 31.184 3.749 -6.194
252 2HE LYS 37 1HE LYS 37 32.419 4.249 -5.044
253 1HZ LYS 37 2HZ LYS 37 32.837 5.710 -7.356
254 2HZ LYS 37 1HZ LYS 37 31.177 5.787 -7.015
255 3HZ LYS 37 3HZ LYS 37 32.306 6.266 -5.838
256 H ALA 38 H ALA 38 32.272 -1.876 -6.681
257 HA ALA 38 HA ALA 38 34.924 -3.072 -7.164
258 1HB ALA 38 3HB ALA 38 32.206 -3.653 -8.435
259 2HB ALA 38 2HB ALA 38 33.644 -4.640 -8.628
260 3HB ALA 38 1HB ALA 38 32.867 -4.527 -7.053
261 H HIS 39 H HIS 39 34.428 -0.293 -7.782
262 HA HIS 39 HA HIS 39 35.040 -0.319 -10.708
263 1HB HIS 39 2HB HIS 39 33.384 1.863 -9.349
264 2HB HIS 39 1HB HIS 39 33.539 1.583 -11.074
265 HD1 HIS 39 HD1 HIS 39 32.971 -1.552 -10.703
266 HD2 HIS 39 HD2 HIS 39 30.711 1.623 -9.252
267 HE1 HIS 39 HE1 HIS 39 30.680 -2.330 -10.278
268 H GLY 40 H GLY 40 36.525 -0.210 -8.105
269 1HA GLY 40 2HA GLY 40 38.786 0.725 -7.992
270 2HA GLY 40 1HA GLY 40 38.155 2.196 -8.732
271 HA PRO 41 HA PRO 41 38.628 4.103 -8.161
272 1HB PRO 41 2HB PRO 41 39.836 6.013 -6.720
273 2HB PRO 41 1HB PRO 41 38.072 5.874 -6.654
274 1HG PRO 41 2HG PRO 41 40.085 4.486 -4.764
275 2HG PRO 41 1HG PRO 41 38.805 5.592 -4.284
276 1HD PRO 41 2HD PRO 41 38.253 3.036 -4.222
277 2HD PRO 41 1HD PRO 41 37.051 4.140 -4.915
278 H ASN 42 H ASN 42 41.142 5.118 -8.246
279 HA ASN 42 HA ASN 42 42.862 2.733 -8.077
280 1HB ASN 42 2HB ASN 42 42.671 4.244 -10.251
281 2HB ASN 42 1HB ASN 42 43.472 5.496 -9.317
282 1HD2 ASN 42 2HD2 ASN 42 46.581 3.464 -9.320
283 2HD2 ASN 42 1HD2 ASN 42 45.666 4.234 -8.107
284 H ILE 43 H ILE 43 41.807 5.330 -6.410
285 HA ILE 43 HA ILE 43 44.348 5.751 -5.253
286 HB ILE 43 HB ILE 43 41.668 7.104 -4.504
287 1HG1 ILE 43 2HG1 ILE 43 42.793 9.144 -5.746
288 2HG1 ILE 43 1HG1 ILE 43 43.880 7.967 -6.441
289 1HG2 ILE 43 1HG2 ILE 43 44.521 8.014 -3.855
290 2HG2 ILE 43 3HG2 ILE 43 43.061 8.903 -3.473
291 3HG2 ILE 43 2HG2 ILE 43 43.379 7.381 -2.686
292 1HD1 ILE 43 3HD1 ILE 43 40.855 7.945 -6.748
293 2HD1 ILE 43 2HD1 ILE 43 41.997 8.534 -7.943
294 3HD1 ILE 43 1HD1 ILE 43 41.964 6.837 -7.559
295 H GLY 44 H GLY 44 43.181 3.367 -5.098
296 1HA GLY 44 2HA GLY 44 43.462 1.616 -3.503
297 2HA GLY 44 1HA GLY 44 42.932 2.670 -2.195
298 H TRP 45 H TRP 45 41.971 0.110 -3.686
299 HA TRP 45 HA TRP 45 39.390 0.568 -4.828
300 1HB TRP 45 2HB TRP 45 39.851 -1.791 -2.975
301 2HB TRP 45 1HB TRP 45 38.868 -1.741 -4.418
302 HD1 TRP 45 HD1 TRP 45 42.572 -1.771 -3.333
303 HE1 TRP 45 HE1 TRP 45 43.963 -2.851 -5.090
304 HE3 TRP 45 HE3 TRP 45 38.987 -2.284 -6.858
305 HZ2 TRP 45 HZ2 TRP 45 43.634 -3.776 -7.675
306 HZ3 TRP 45 HZ3 TRP 45 39.595 -3.300 -9.030
307 HH2 TRP 45 HH2 TRP 45 41.915 -4.046 -9.435
308 H CYS 46 H CYS 46 37.254 1.106 -3.784
309 HA CYS 46 HA CYS 46 37.597 1.579 -0.874
310 1HB CYS 46 2HB CYS 46 35.341 2.105 -2.775
311 2HB CYS 46 1HB CYS 46 35.393 2.643 -1.117
312 H CYS 47 H CYS 47 37.253 0.159 0.393
313 HA CYS 47 HA CYS 47 35.395 -2.053 -0.200
314 1HB CYS 47 2HB CYS 47 38.100 -2.007 1.074
315 2HB CYS 47 1HB CYS 47 37.118 -3.395 1.180
316 H LYS 48 H LYS 48 35.326 -3.346 2.128
317 HA LYS 48 HA LYS 48 35.121 -1.398 4.225
318 1HB LYS 48 2HB LYS 48 32.918 -1.496 4.696
319 2HB LYS 48 1HB LYS 48 32.924 -1.327 2.964
320 1HG LYS 48 2HG LYS 48 32.497 -3.847 4.557
321 2HG LYS 48 1HG LYS 48 31.348 -2.908 3.644
322 1HD LYS 48 2HD LYS 48 33.049 -3.185 1.709
323 2HD LYS 48 1HD LYS 48 33.761 -4.426 2.665
324 1HE LYS 48 2HE LYS 48 30.882 -4.533 1.659
325 2HE LYS 48 1HE LYS 48 32.168 -5.658 1.250
326 1HZ LYS 48 1HZ LYS 48 31.942 -5.533 4.032
327 2HZ LYS 48 3HZ LYS 48 30.395 -5.778 3.373
328 3HZ LYS 48 2HZ LYS 48 31.654 -6.860 3.012
329 H LYS 49 H LYS 49 34.347 -2.543 6.149
330 HA LYS 49 HA LYS 49 35.927 -5.056 6.394
331 1HB LYS 49 2HB LYS 49 34.407 -3.405 8.451
332 2HB LYS 49 1HB LYS 49 35.148 -4.944 8.860
333 1HG LYS 49 2HG LYS 49 37.333 -4.052 7.909
334 2HG LYS 49 1HG LYS 49 36.557 -2.484 7.749
335 1HD LYS 49 2HD LYS 49 36.179 -2.366 10.164
336 2HD LYS 49 1HD LYS 49 36.770 -4.007 10.384
337 1HE LYS 49 2HE LYS 49 39.004 -3.297 9.486
338 2HE LYS 49 1HE LYS 49 38.406 -1.644 9.363
339 1HZ LYS 49 1HZ LYS 49 37.864 -2.585 11.934
340 2HZ LYS 49 3HZ LYS 49 39.491 -2.932 11.572
341 3HZ LYS 49 2HZ LYS 49 38.909 -1.337 11.446
No H/Q in entry = 341
Start of MODEL 9
1 1H GLY 1 3H GLY 1 43.377 6.683 6.983
2 2H GLY 1 2H GLY 1 43.834 5.116 7.443
3 3H GLY 1 1H GLY 1 44.638 5.887 6.158
4 1HA GLY 1 2HA GLY 1 43.180 5.058 4.711
5 2HA GLY 1 1HA GLY 1 42.329 4.280 6.047
6 H VAL 2 H VAL 2 41.677 6.139 3.552
7 HA VAL 2 HA VAL 2 39.927 8.076 4.944
8 HB VAL 2 HB VAL 2 40.389 7.730 1.957
9 1HG1 VAL 2 1HG1 VAL 2 38.359 9.025 2.511
10 2HG1 VAL 2 3HG1 VAL 2 39.310 10.108 3.512
11 3HG1 VAL 2 2HG1 VAL 2 39.580 10.049 1.780
12 1HG2 VAL 2 1HG2 VAL 2 41.819 9.609 3.910
13 2HG2 VAL 2 3HG2 VAL 2 42.561 8.242 3.104
14 3HG2 VAL 2 2HG2 VAL 2 42.036 9.625 2.171
15 HA PRO 3 HA PRO 3 36.364 5.542 3.782
16 1HB PRO 3 2HB PRO 3 34.409 6.861 4.937
17 2HB PRO 3 1HB PRO 3 35.594 6.006 5.929
18 1HG PRO 3 2HG PRO 3 35.645 8.978 5.056
19 2HG PRO 3 1HG PRO 3 35.716 8.361 6.708
20 1HD PRO 3 2HD PRO 3 38.010 8.921 5.333
21 2HD PRO 3 1HD PRO 3 37.961 7.524 6.434
22 H CYS 4 H CYS 4 35.300 5.551 1.951
23 HA CYS 4 HA CYS 4 34.716 8.104 0.540
24 1HB CYS 4 2HB CYS 4 35.067 6.278 -1.485
25 2HB CYS 4 1HB CYS 4 36.357 7.228 -0.800
26 H LEU 5 H LEU 5 33.351 7.040 -1.594
27 HA LEU 5 HA LEU 5 30.781 6.132 -0.406
28 1HB LEU 5 2HB LEU 5 30.827 8.445 -1.425
29 2HB LEU 5 1HB LEU 5 31.362 7.763 -2.943
30 HG LEU 5 HG LEU 5 28.739 6.782 -1.696
31 1HD1 LEU 5 1HD1 LEU 5 29.068 9.275 -3.427
32 2HD1 LEU 5 3HD1 LEU 5 27.547 8.553 -2.914
33 3HD1 LEU 5 2HD1 LEU 5 28.624 9.267 -1.726
34 1HD2 LEU 5 3HD2 LEU 5 29.628 7.194 -4.612
35 2HD2 LEU 5 2HD2 LEU 5 29.637 5.646 -3.815
36 3HD2 LEU 5 1HD2 LEU 5 28.126 6.457 -4.091
37 H CYS 6 H CYS 6 29.676 4.501 -1.654
38 HA CYS 6 HA CYS 6 31.308 3.216 -3.731
39 1HB CYS 6 2HB CYS 6 30.206 1.468 -1.517
40 2HB CYS 6 1HB CYS 6 31.457 1.221 -2.679
41 H ASP 7 H ASP 7 30.204 0.989 -4.116
42 HA ASP 7 HA ASP 7 27.705 1.613 -5.530
43 1HB ASP 7 2HB ASP 7 29.591 0.282 -6.599
44 2HB ASP 7 1HB ASP 7 29.345 -0.976 -5.409
45 H SER 8 H SER 8 28.790 -0.908 -3.269
46 HA SER 8 HA SER 8 26.044 -1.630 -2.612
47 1HB SER 8 2HB SER 8 28.705 -2.372 -1.274
48 2HB SER 8 1HB SER 8 27.152 -3.215 -1.049
49 HG SER 8 HG SER 8 27.414 -4.076 -2.979
50 H ASP 9 H ASP 9 28.109 0.785 -1.730
51 HA ASP 9 HA ASP 9 27.713 1.335 0.984
52 1HB ASP 9 2HB ASP 9 29.287 2.692 -0.282
53 2HB ASP 9 1HB ASP 9 28.042 3.198 -1.395
54 H GLY 10 H GLY 10 25.603 1.863 -1.673
55 1HA GLY 10 2HA GLY 10 23.153 1.803 -1.139
56 2HA GLY 10 1HA GLY 10 23.496 2.953 0.164
57 HA PRO 11 HA PRO 11 23.222 4.875 -4.263
58 1HB PRO 11 2HB PRO 11 20.679 4.901 -5.094
59 2HB PRO 11 1HB PRO 11 21.552 3.356 -5.087
60 1HG PRO 11 2HG PRO 11 19.850 4.536 -2.798
61 2HG PRO 11 1HG PRO 11 19.547 3.013 -3.640
62 1HD PRO 11 2HD PRO 11 21.021 2.984 -1.371
63 2HD PRO 11 1HD PRO 11 21.586 2.014 -2.745
64 H ARG 12 H ARG 12 23.290 6.016 -1.714
65 HA ARG 12 HA ARG 12 21.538 8.427 -1.987
66 1HB ARG 12 2HB ARG 12 22.802 7.129 0.436
67 2HB ARG 12 1HB ARG 12 21.986 8.682 0.490
68 1HG ARG 12 2HG ARG 12 19.943 7.679 0.488
69 2HG ARG 12 1HG ARG 12 20.285 6.807 -0.981
70 1HD ARG 12 2HD ARG 12 19.828 5.126 0.636
71 2HD ARG 12 1HD ARG 12 21.581 5.123 0.469
72 HE ARG 12 HE ARG 12 20.549 6.869 2.596
73 1HH1 ARG 12 2HH1 ARG 12 20.269 3.632 2.356
74 2HH1 ARG 12 1HH1 ARG 12 21.361 3.195 3.619
75 1HH2 ARG 12 1HH2 ARG 12 22.589 6.483 3.926
76 2HH2 ARG 12 2HH2 ARG 12 22.716 4.873 4.540
77 HA PRO 13 HA PRO 13 25.804 9.854 -2.988
78 1HB PRO 13 2HB PRO 13 25.172 11.527 -5.058
79 2HB PRO 13 1HB PRO 13 25.225 9.770 -5.302
80 1HG PRO 13 2HG PRO 13 22.789 11.475 -4.512
81 2HG PRO 13 1HG PRO 13 22.939 10.429 -5.930
82 1HD PRO 13 2HD PRO 13 21.798 9.452 -3.736
83 2HD PRO 13 1HD PRO 13 22.971 8.412 -4.558
84 H ARG 14 H ARG 14 26.721 11.958 -2.557
85 HA ARG 14 HA ARG 14 26.966 13.736 -1.130
86 1HB ARG 14 2HB ARG 14 24.355 14.501 -2.542
87 2HB ARG 14 1HB ARG 14 25.369 15.614 -1.648
88 1HG ARG 14 2HG ARG 14 27.263 15.188 -3.203
89 2HG ARG 14 1HG ARG 14 26.243 14.102 -4.133
90 1HD ARG 14 2HD ARG 14 24.663 15.937 -4.616
91 2HD ARG 14 1HD ARG 14 25.595 17.041 -3.611
92 HE ARG 14 HE ARG 14 27.510 16.412 -5.337
93 1HH1 ARG 14 1HH2 ARG 14 25.816 15.069 -7.249
94 2HH1 ARG 14 2HH2 ARG 14 25.258 16.330 -8.291
95 1HH2 ARG 14 2HH1 ARG 14 26.111 18.843 -5.992
96 2HH2 ARG 14 1HH1 ARG 14 25.437 18.548 -7.555
97 H GLY 15 H GLY 15 25.154 11.570 -0.215
98 1HA GLY 15 2HA GLY 15 23.519 12.918 1.866
99 2HA GLY 15 1HA GLY 15 23.536 11.191 1.535
100 H ASN 16 H ASN 16 26.379 13.100 1.964
101 HA ASN 16 HA ASN 16 28.237 12.759 3.394
102 1HB ASN 16 2HB ASN 16 26.521 14.307 4.603
103 2HB ASN 16 1HB ASN 16 26.083 12.886 5.537
104 1HD2 ASN 16 2HD2 ASN 16 29.842 14.363 6.193
105 2HD2 ASN 16 1HD2 ASN 16 29.228 14.495 4.615
106 H THR 17 H THR 17 27.106 10.187 2.530
107 HA THR 17 HA THR 17 27.282 8.507 4.953
108 HB THR 17 HB THR 17 25.537 7.961 3.233
109 HG1 THR 17 HG1 THR 17 25.991 5.864 3.457
110 1HG2 THR 17 2HG2 THR 17 26.885 8.614 1.145
111 2HG2 THR 17 1HG2 THR 17 27.903 7.214 1.430
112 3HG2 THR 17 3HG2 THR 17 26.198 7.014 1.064
113 H LEU 18 H LEU 18 28.782 6.769 5.058
114 HA LEU 18 HA LEU 18 31.259 6.904 3.425
115 1HB LEU 18 2HB LEU 18 31.083 7.329 6.417
116 2HB LEU 18 1HB LEU 18 32.583 6.938 5.643
117 HG LEU 18 HG LEU 18 30.875 9.420 5.035
118 1HD1 LEU 18 2HD1 LEU 18 33.507 9.143 6.554
119 2HD1 LEU 18 1HD1 LEU 18 32.711 10.662 6.187
120 3HD1 LEU 18 3HD1 LEU 18 31.950 9.510 7.267
121 1HD2 LEU 18 2HD2 LEU 18 33.694 8.715 4.029
122 2HD2 LEU 18 1HD2 LEU 18 32.252 8.707 3.047
123 3HD2 LEU 18 3HD2 LEU 18 32.831 10.206 3.725
124 H SER 19 H SER 19 29.523 4.803 3.241
125 HA SER 19 HA SER 19 30.485 2.701 5.111
126 1HB SER 19 2HB SER 19 28.053 2.714 4.471
127 2HB SER 19 1HB SER 19 28.514 2.465 2.784
128 HG SER 19 HG SER 19 29.569 0.593 3.367
129 H GLY 20 H GLY 20 32.647 3.505 3.918
130 1HA GLY 20 2HA GLY 20 33.571 1.176 2.392
131 2HA GLY 20 1HA GLY 20 33.399 2.588 1.396
132 H ILE 21 H ILE 21 35.751 0.964 3.266
133 HA ILE 21 HA ILE 21 37.165 3.603 3.739
134 HB ILE 21 HB ILE 21 38.040 0.818 4.566
135 1HG1 ILE 21 2HG1 ILE 21 35.880 1.229 5.746
136 2HG1 ILE 21 1HG1 ILE 21 37.160 1.393 6.912
137 1HG2 ILE 21 2HG2 ILE 21 38.936 3.514 5.560
138 2HG2 ILE 21 1HG2 ILE 21 39.453 1.966 6.216
139 3HG2 ILE 21 3HG2 ILE 21 39.840 2.388 4.559
140 1HD1 ILE 21 1HD1 ILE 21 37.078 3.901 6.621
141 2HD1 ILE 21 3HD1 ILE 21 35.749 3.705 5.489
142 3HD1 ILE 21 2HD1 ILE 21 35.543 3.247 7.167
143 H LEU 22 H LEU 22 38.786 4.111 2.262
144 HA LEU 22 HA LEU 22 39.079 2.480 -0.088
145 1HB LEU 22 2HB LEU 22 40.879 3.991 -0.770
146 2HB LEU 22 1HB LEU 22 39.507 4.875 -0.183
147 HG LEU 22 HG LEU 22 40.705 5.380 1.930
148 1HD1 LEU 22 2HD1 LEU 22 43.118 4.086 0.575
149 2HD1 LEU 22 1HD1 LEU 22 43.192 5.031 2.043
150 3HD1 LEU 22 3HD1 LEU 22 42.377 3.498 2.045
151 1HD2 LEU 22 3HD2 LEU 22 42.182 6.061 -0.666
152 2HD2 LEU 22 2HD2 LEU 22 40.787 6.913 -0.035
153 3HD2 LEU 22 1HD2 LEU 22 42.320 7.000 0.812
154 H TRP 23 H TRP 23 41.038 1.320 -0.737
155 HA TRP 23 HA TRP 23 42.746 0.478 1.478
156 1HB TRP 23 2HB TRP 23 40.802 -1.250 0.004
157 2HB TRP 23 1HB TRP 23 42.392 -1.967 0.222
158 HD1 TRP 23 HD1 TRP 23 39.368 -1.044 2.323
159 HE1 TRP 23 HE1 TRP 23 39.901 -1.393 4.754
160 HE3 TRP 23 HE3 TRP 23 44.226 -1.734 1.758
161 HZ2 TRP 23 HZ2 TRP 23 42.217 -1.838 6.284
162 HZ3 TRP 23 HZ3 TRP 23 45.713 -2.063 3.678
163 HH2 TRP 23 HH2 TRP 23 44.700 -2.140 6.004
164 H PHE 24 H PHE 24 44.544 0.057 1.230
165 HA PHE 24 HA PHE 24 45.856 0.553 -1.315
166 1HB PHE 24 2HB PHE 24 46.411 0.729 1.616
167 2HB PHE 24 1HB PHE 24 47.826 0.303 0.740
168 HD1 PHE 24 HD1 PHE 24 44.847 2.522 -0.080
169 HD2 PHE 24 HD2 PHE 24 49.066 2.364 0.521
170 HE1 PHE 24 HE1 PHE 24 45.015 4.888 -0.663
171 HE2 PHE 24 HE2 PHE 24 49.224 4.747 -0.058
172 HZ PHE 24 HZ PHE 24 47.197 6.012 -0.649
173 H TYR 25 H TYR 25 44.704 -1.990 -1.401
174 HA TYR 25 HA TYR 25 47.108 -3.678 -1.361
175 1HB TYR 25 2HB TYR 25 44.340 -4.308 -0.491
176 2HB TYR 25 1HB TYR 25 45.015 -5.520 -1.545
177 HD1 TYR 25 HD1 TYR 25 47.202 -3.509 0.624
178 HD2 TYR 25 HD2 TYR 25 45.109 -7.171 0.212
179 HE1 TYR 25 HE1 TYR 25 48.496 -4.447 2.491
180 HE2 TYR 25 HE2 TYR 25 46.406 -8.127 2.066
181 HH TYR 25 HH TYR 25 47.668 -7.267 4.085
182 HA PRO 26 HA PRO 26 46.658 -3.469 -5.545
183 1HB PRO 26 2HB PRO 26 48.539 -5.345 -6.376
184 2HB PRO 26 1HB PRO 26 49.031 -3.815 -5.638
185 1HG PRO 26 2HG PRO 26 48.516 -6.498 -4.213
186 2HG PRO 26 1HG PRO 26 49.969 -5.498 -4.128
187 1HD PRO 26 2HD PRO 26 48.071 -5.189 -2.210
188 2HD PRO 26 1HD PRO 26 48.783 -3.705 -2.870
189 H SER 27 H SER 27 46.269 -6.376 -3.765
190 HA SER 27 HA SER 27 44.947 -7.911 -5.856
191 1HB SER 27 2HB SER 27 44.589 -9.433 -3.723
192 2HB SER 27 1HB SER 27 46.252 -9.190 -4.283
193 HG SER 27 HG SER 27 45.224 -8.468 -1.959
194 H GLY 28 H GLY 28 43.927 -5.320 -4.285
195 1HA GLY 28 2HA GLY 28 41.623 -4.566 -4.542
196 2HA GLY 28 1HA GLY 28 41.079 -6.229 -4.277
197 H CYS 29 H CYS 29 40.105 -6.300 -2.283
198 HA CYS 29 HA CYS 29 40.980 -4.531 -0.173
199 1HB CYS 29 2HB CYS 29 38.969 -6.755 0.153
200 2HB CYS 29 1HB CYS 29 39.084 -5.174 0.870
201 HA PRO 30 HA PRO 30 43.577 -7.578 1.745
202 1HB PRO 30 2HB PRO 30 44.120 -6.453 4.128
203 2HB PRO 30 1HB PRO 30 44.559 -5.567 2.655
204 1HG PRO 30 2HG PRO 30 41.935 -5.388 4.151
205 2HG PRO 30 1HG PRO 30 43.054 -4.077 3.897
206 1HD PRO 30 2HD PRO 30 41.030 -4.420 2.162
207 2HD PRO 30 1HD PRO 30 42.637 -4.075 1.490
208 H SER 31 H SER 31 43.745 -9.033 3.496
209 HA SER 31 HA SER 31 41.600 -10.715 3.873
210 1HB SER 31 2HB SER 31 44.014 -11.245 4.543
211 2HB SER 31 1HB SER 31 43.733 -10.296 6.015
212 HG SER 31 HG SER 31 42.646 -11.943 6.764
213 H GLY 32 H GLY 32 39.743 -10.219 4.604
214 1HA GLY 32 2HA GLY 32 38.352 -9.982 6.701
215 2HA GLY 32 1HA GLY 32 39.441 -8.693 7.187
216 H TRP 33 H TRP 33 39.146 -8.071 4.047
217 HA TRP 33 HA TRP 33 36.756 -6.339 4.456
218 1HB TRP 33 2HB TRP 33 39.195 -6.043 2.675
219 2HB TRP 33 1HB TRP 33 37.856 -4.902 2.735
220 HD1 TRP 33 HD1 TRP 33 40.491 -6.415 5.239
221 HE1 TRP 33 HE1 TRP 33 40.972 -4.710 7.005
222 HE3 TRP 33 HE3 TRP 33 37.288 -2.923 3.690
223 HZ2 TRP 33 HZ2 TRP 33 40.120 -2.164 7.660
224 HZ3 TRP 33 HZ3 TRP 33 37.101 -0.808 4.920
225 HH2 TRP 33 HH2 TRP 33 38.565 -0.418 6.926
226 H HIS 34 H HIS 34 35.458 -6.010 2.452
227 HA HIS 34 HA HIS 34 35.847 -8.176 0.441
228 1HB HIS 34 2HB HIS 34 34.596 -9.053 2.421
229 2HB HIS 34 1HB HIS 34 33.301 -7.924 2.088
230 HD1 HIS 34 HD1 HIS 34 32.409 -8.275 -0.564
231 HD2 HIS 34 HD2 HIS 34 34.270 -11.423 1.377
232 HE1 HIS 34 HE1 HIS 34 31.783 -10.422 -1.721
233 H ASN 35 H ASN 35 36.176 -5.563 -0.051
234 HA ASN 35 HA ASN 35 35.718 -3.911 -1.592
235 1HB ASN 35 2HB ASN 35 35.349 -5.865 -3.142
236 2HB ASN 35 1HB ASN 35 33.664 -5.877 -2.672
237 1HD2 ASN 35 2HD2 ASN 35 34.833 -3.239 -5.444
238 2HD2 ASN 35 1HD2 ASN 35 35.923 -4.416 -4.859
239 H CYS 36 H CYS 36 34.485 -2.101 -1.996
240 HA CYS 36 HA CYS 36 31.854 -1.983 -0.602
241 1HB CYS 36 2HB CYS 36 32.467 0.053 0.221
242 2HB CYS 36 1HB CYS 36 34.036 -0.631 0.160
243 H LYS 37 H LYS 37 33.793 -0.887 -3.325
244 HA LYS 37 HA LYS 37 31.254 -0.542 -4.880
245 1HB LYS 37 2HB LYS 37 32.104 1.343 -6.086
246 2HB LYS 37 1HB LYS 37 32.454 1.688 -4.421
247 1HG LYS 37 2HG LYS 37 34.792 1.400 -4.677
248 2HG LYS 37 1HG LYS 37 34.630 0.565 -6.207
249 1HD LYS 37 2HD LYS 37 35.293 2.752 -6.841
250 2HD LYS 37 1HD LYS 37 33.586 2.667 -7.183
251 1HE LYS 37 2HE LYS 37 33.981 4.810 -6.216
252 2HE LYS 37 1HE LYS 37 33.165 3.864 -4.984
253 1HZ LYS 37 1HZ LYS 37 35.872 3.394 -4.728
254 2HZ LYS 37 3HZ LYS 37 35.685 5.091 -4.859
255 3HZ LYS 37 2HZ LYS 37 34.837 4.226 -3.657
256 H ALA 38 H ALA 38 31.142 -1.852 -6.597
257 HA ALA 38 HA ALA 38 33.386 -3.600 -7.259
258 1HB ALA 38 3HB ALA 38 31.015 -4.434 -7.294
259 2HB ALA 38 2HB ALA 38 30.638 -3.285 -8.574
260 3HB ALA 38 1HB ALA 38 31.754 -4.603 -8.879
261 H HIS 39 H HIS 39 34.079 -0.967 -7.646
262 HA HIS 39 HA HIS 39 34.489 -0.840 -10.607
263 1HB HIS 39 2HB HIS 39 34.020 1.674 -8.917
264 2HB HIS 39 1HB HIS 39 33.900 1.520 -10.658
265 HD1 HIS 39 HD1 HIS 39 32.035 -1.032 -10.523
266 HD2 HIS 39 HD2 HIS 39 31.584 2.478 -8.336
267 HE1 HIS 39 HE1 HIS 39 29.681 -0.809 -9.807
268 H GLY 40 H GLY 40 35.664 1.375 -8.067
269 1HA GLY 40 2HA GLY 40 38.386 0.260 -8.154
270 2HA GLY 40 1HA GLY 40 38.214 1.864 -8.858
271 HA PRO 41 HA PRO 41 38.911 3.751 -8.386
272 1HB PRO 41 2HB PRO 41 40.098 5.753 -7.170
273 2HB PRO 41 1HB PRO 41 38.366 5.554 -6.898
274 1HG PRO 41 2HG PRO 41 40.579 4.294 -5.127
275 2HG PRO 41 1HG PRO 41 39.339 5.439 -4.598
276 1HD PRO 41 2HD PRO 41 38.805 2.854 -4.390
277 2HD PRO 41 1HD PRO 41 37.564 3.973 -4.947
278 H ASN 42 H ASN 42 41.559 4.745 -8.495
279 HA ASN 42 HA ASN 42 43.086 2.246 -8.254
280 1HB ASN 42 2HB ASN 42 43.121 3.592 -10.487
281 2HB ASN 42 1HB ASN 42 43.925 4.895 -9.603
282 1HD2 ASN 42 2HD2 ASN 42 46.972 3.170 -10.150
283 2HD2 ASN 42 1HD2 ASN 42 46.172 4.666 -10.289
284 H ILE 43 H ILE 43 42.375 5.068 -6.768
285 HA ILE 43 HA ILE 43 44.930 5.237 -5.636
286 HB ILE 43 HB ILE 43 43.992 7.265 -4.331
287 1HG1 ILE 43 2HG1 ILE 43 41.427 6.571 -5.839
288 2HG1 ILE 43 1HG1 ILE 43 41.649 6.390 -4.112
289 1HG2 ILE 43 3HG2 ILE 43 45.013 7.532 -6.592
290 2HG2 ILE 43 2HG2 ILE 43 43.469 7.192 -7.349
291 3HG2 ILE 43 1HG2 ILE 43 43.690 8.654 -6.405
292 1HD1 ILE 43 1HD1 ILE 43 42.046 8.836 -3.916
293 2HD1 ILE 43 3HD1 ILE 43 41.774 9.023 -5.643
294 3HD1 ILE 43 2HD1 ILE 43 40.475 8.476 -4.604
295 H GLY 44 H GLY 44 43.386 3.073 -5.198
296 1HA GLY 44 2HA GLY 44 43.706 1.521 -3.326
297 2HA GLY 44 1HA GLY 44 43.276 2.792 -2.191
298 H TRP 45 H TRP 45 42.210 0.184 -3.520
299 HA TRP 45 HA TRP 45 39.633 0.527 -4.604
300 1HB TRP 45 2HB TRP 45 40.243 -1.672 -2.613
301 2HB TRP 45 1HB TRP 45 39.125 -1.736 -3.961
302 HD1 TRP 45 HD1 TRP 45 42.869 -1.692 -3.166
303 HE1 TRP 45 HE1 TRP 45 44.154 -2.644 -5.050
304 HE3 TRP 45 HE3 TRP 45 39.057 -2.095 -6.443
305 HZ2 TRP 45 HZ2 TRP 45 43.656 -3.440 -7.679
306 HZ3 TRP 45 HZ3 TRP 45 39.519 -2.973 -8.712
307 HH2 TRP 45 HH2 TRP 45 41.819 -3.646 -9.327
308 H CYS 46 H CYS 46 37.558 1.114 -3.706
309 HA CYS 46 HA CYS 46 37.693 1.711 -0.789
310 1HB CYS 46 2HB CYS 46 36.749 3.304 -2.607
311 2HB CYS 46 1HB CYS 46 35.484 2.115 -2.714
312 H CYS 47 H CYS 47 37.375 0.219 0.443
313 HA CYS 47 HA CYS 47 35.523 -2.002 -0.203
314 1HB CYS 47 2HB CYS 47 38.236 -1.919 1.030
315 2HB CYS 47 1HB CYS 47 37.243 -3.294 1.206
316 H LYS 48 H LYS 48 35.393 -3.434 1.975
317 HA LYS 48 HA LYS 48 35.148 -1.639 4.146
318 1HB LYS 48 2HB LYS 48 33.102 -1.478 2.507
319 2HB LYS 48 1HB LYS 48 32.685 -3.096 3.022
320 1HG LYS 48 2HG LYS 48 31.443 -1.339 4.182
321 2HG LYS 48 1HG LYS 48 32.416 -2.308 5.304
322 1HD LYS 48 2HD LYS 48 34.099 -0.661 5.407
323 2HD LYS 48 1HD LYS 48 33.522 0.188 4.015
324 1HE LYS 48 2HE LYS 48 31.382 0.718 5.412
325 2HE LYS 48 1HE LYS 48 32.254 0.094 6.802
326 1HZ LYS 48 1HZ LYS 48 33.894 1.930 5.454
327 2HZ LYS 48 3HZ LYS 48 32.389 2.673 5.753
328 3HZ LYS 48 2HZ LYS 48 33.263 2.000 7.027
329 H LYS 49 H LYS 49 34.559 -2.592 6.005
330 HA LYS 49 HA LYS 49 35.815 -5.234 6.380
331 1HB LYS 49 2HB LYS 49 34.793 -3.053 8.176
332 2HB LYS 49 1HB LYS 49 34.860 -4.656 8.875
333 1HG LYS 49 2HG LYS 49 37.212 -4.849 8.493
334 2HG LYS 49 1HG LYS 49 37.226 -3.437 7.451
335 1HD LYS 49 2HD LYS 49 36.878 -1.928 9.264
336 2HD LYS 49 1HD LYS 49 36.320 -3.194 10.341
337 1HE LYS 49 2HE LYS 49 39.154 -3.225 9.245
338 2HE LYS 49 1HE LYS 49 38.747 -2.311 10.690
339 1HZ LYS 49 2HZ LYS 49 37.611 -4.834 10.930
340 2HZ LYS 49 1HZ LYS 49 39.215 -5.057 10.415
341 3HZ LYS 49 3HZ LYS 49 38.890 -4.166 11.827
No H/Q in entry = 341
Start of MODEL 10
1 1H GLY 1 3H GLY 1 43.018 6.727 6.214
2 2H GLY 1 2H GLY 1 43.469 5.119 6.506
3 3H GLY 1 1H GLY 1 44.053 5.925 5.125
4 1HA GLY 1 2HA GLY 1 42.321 5.256 3.955
5 2HA GLY 1 1HA GLY 1 41.692 4.431 5.393
6 H VAL 2 H VAL 2 40.182 5.995 3.344
7 HA VAL 2 HA VAL 2 38.889 7.924 5.197
8 HB VAL 2 HB VAL 2 39.248 8.307 2.164
9 1HG1 VAL 2 3HG1 VAL 2 37.247 9.457 3.071
10 2HG1 VAL 2 2HG1 VAL 2 38.267 10.294 4.245
11 3HG1 VAL 2 1HG1 VAL 2 38.460 10.595 2.532
12 1HG2 VAL 2 1HG2 VAL 2 40.764 9.674 4.440
13 2HG2 VAL 2 3HG2 VAL 2 41.459 8.524 3.315
14 3HG2 VAL 2 2HG2 VAL 2 40.922 10.085 2.737
15 HA PRO 3 HA PRO 3 35.430 5.644 3.509
16 1HB PRO 3 2HB PRO 3 33.312 7.215 4.131
17 2HB PRO 3 1HB PRO 3 34.244 6.351 5.389
18 1HG PRO 3 2HG PRO 3 34.724 9.191 4.285
19 2HG PRO 3 1HG PRO 3 34.333 8.793 5.960
20 1HD PRO 3 2HD PRO 3 36.893 8.993 5.293
21 2HD PRO 3 1HD PRO 3 36.421 7.600 6.271
22 H CYS 4 H CYS 4 34.344 5.439 1.678
23 HA CYS 4 HA CYS 4 34.141 7.850 -0.098
24 1HB CYS 4 2HB CYS 4 34.800 6.579 -1.991
25 2HB CYS 4 1HB CYS 4 35.911 6.058 -0.750
26 H LEU 5 H LEU 5 32.481 7.729 -1.676
27 HA LEU 5 HA LEU 5 29.964 6.603 -0.640
28 1HB LEU 5 2HB LEU 5 30.113 8.890 -1.842
29 2HB LEU 5 1HB LEU 5 30.555 8.028 -3.303
30 HG LEU 5 HG LEU 5 28.288 6.690 -2.864
31 1HD1 LEU 5 2HD1 LEU 5 27.733 9.306 -1.378
32 2HD1 LEU 5 1HD1 LEU 5 26.543 8.091 -1.817
33 3HD1 LEU 5 3HD1 LEU 5 27.791 7.707 -0.657
34 1HD2 LEU 5 3HD2 LEU 5 28.334 9.545 -3.951
35 2HD2 LEU 5 2HD2 LEU 5 28.735 8.084 -4.839
36 3HD2 LEU 5 1HD2 LEU 5 27.097 8.345 -4.278
37 H CYS 6 H CYS 6 30.742 4.371 -0.732
38 HA CYS 6 HA CYS 6 31.795 3.239 -3.088
39 1HB CYS 6 2HB CYS 6 30.289 1.703 -0.986
40 2HB CYS 6 1HB CYS 6 31.564 1.169 -2.011
41 H ASP 7 H ASP 7 30.799 1.270 -3.848
42 HA ASP 7 HA ASP 7 28.730 1.921 -5.580
43 1HB ASP 7 2HB ASP 7 30.204 -0.034 -5.963
44 2HB ASP 7 1HB ASP 7 29.487 -0.890 -4.611
45 H SER 8 H SER 8 28.210 -0.083 -2.672
46 HA SER 8 HA SER 8 25.289 0.326 -3.077
47 1HB SER 8 2HB SER 8 25.111 -1.183 -1.011
48 2HB SER 8 1HB SER 8 25.956 -1.952 -2.365
49 HG SER 8 HG SER 8 27.513 -2.138 -0.961
50 H ASP 9 H ASP 9 27.584 2.223 -2.067
51 HA ASP 9 HA ASP 9 26.442 3.119 0.497
52 1HB ASP 9 2HB ASP 9 29.002 3.229 -0.186
53 2HB ASP 9 1HB ASP 9 28.519 4.575 -1.188
54 H GLY 10 H GLY 10 24.491 3.095 -1.110
55 1HA GLY 10 2HA GLY 10 24.177 5.732 -2.467
56 2HA GLY 10 1HA GLY 10 23.073 4.346 -2.620
57 HA PRO 11 HA PRO 11 21.238 7.073 0.624
58 1HB PRO 11 2HB PRO 11 18.642 6.943 -0.056
59 2HB PRO 11 1HB PRO 11 19.741 7.802 -1.152
60 1HG PRO 11 2HG PRO 11 18.934 4.829 -1.252
61 2HG PRO 11 1HG PRO 11 18.731 6.024 -2.539
62 1HD PRO 11 2HD PRO 11 20.943 4.472 -2.526
63 2HD PRO 11 1HD PRO 11 21.125 6.189 -2.919
64 H ARG 12 H ARG 12 22.204 4.623 1.157
65 HA ARG 12 HA ARG 12 20.050 2.988 2.334
66 1HB ARG 12 2HB ARG 12 22.945 2.619 1.816
67 2HB ARG 12 1HB ARG 12 22.227 1.680 3.121
68 1HG ARG 12 2HG ARG 12 20.416 0.911 1.594
69 2HG ARG 12 1HG ARG 12 21.067 1.900 0.297
70 1HD ARG 12 2HD ARG 12 21.684 -0.498 0.175
71 2HD ARG 12 1HD ARG 12 23.064 0.607 0.238
72 HE ARG 12 HE ARG 12 22.277 -0.313 2.876
73 1HH1 ARG 12 2HH1 ARG 12 24.967 0.045 1.139
74 2HH1 ARG 12 1HH1 ARG 12 25.659 -1.502 1.442
75 1HH2 ARG 12 1HH2 ARG 12 22.659 -2.816 2.772
76 2HH2 ARG 12 2HH2 ARG 12 24.314 -3.171 2.416
77 HA PRO 13 HA PRO 13 20.255 4.730 6.367
78 1HB PRO 13 2HB PRO 13 19.546 2.655 7.989
79 2HB PRO 13 1HB PRO 13 18.373 3.363 6.864
80 1HG PRO 13 2HG PRO 13 20.277 1.003 6.351
81 2HG PRO 13 1HG PRO 13 18.511 0.989 6.230
82 1HD PRO 13 2HD PRO 13 19.896 1.419 3.999
83 2HD PRO 13 1HD PRO 13 18.547 2.529 4.328
84 H ARG 14 H ARG 14 22.127 5.316 7.010
85 HA ARG 14 HA ARG 14 24.146 5.443 8.096
86 1HB ARG 14 2HB ARG 14 23.944 2.446 8.725
87 2HB ARG 14 1HB ARG 14 24.832 3.712 9.536
88 1HG ARG 14 2HG ARG 14 22.723 4.822 10.249
89 2HG ARG 14 1HG ARG 14 21.784 3.575 9.460
90 1HD ARG 14 2HD ARG 14 21.751 2.671 11.570
91 2HD ARG 14 1HD ARG 14 23.282 1.976 11.070
92 HE ARG 14 HE ARG 14 22.929 4.304 12.881
93 1HH1 ARG 14 1HH2 ARG 14 25.291 4.619 11.100
94 2HH1 ARG 14 2HH2 ARG 14 26.566 3.917 12.032
95 1HH2 ARG 14 2HH1 ARG 14 24.300 2.272 14.162
96 2HH2 ARG 14 1HH1 ARG 14 25.978 2.536 13.852
97 H GLY 15 H GLY 15 26.139 5.425 7.172
98 1HA GLY 15 2HA GLY 15 27.960 4.147 6.022
99 2HA GLY 15 1HA GLY 15 26.713 3.367 5.054
100 H ASN 16 H ASN 16 25.297 5.980 4.870
101 HA ASN 16 HA ASN 16 25.823 6.897 2.341
102 1HB ASN 16 2HB ASN 16 25.084 8.794 4.618
103 2HB ASN 16 1HB ASN 16 24.878 9.066 2.896
104 1HD2 ASN 16 2HD2 ASN 16 22.358 6.515 4.753
105 2HD2 ASN 16 1HD2 ASN 16 23.708 7.104 5.610
106 H THR 17 H THR 17 27.681 7.732 5.140
107 HA THR 17 HA THR 17 29.664 9.100 3.388
108 HB THR 17 HB THR 17 29.289 10.132 6.260
109 HG1 THR 17 HG1 THR 17 27.662 11.571 4.862
110 1HG2 THR 17 1HG2 THR 17 29.581 11.578 3.553
111 2HG2 THR 17 3HG2 THR 17 29.742 12.327 5.138
112 3HG2 THR 17 2HG2 THR 17 30.944 11.182 4.581
113 H LEU 18 H LEU 18 29.487 6.432 4.470
114 HA LEU 18 HA LEU 18 32.190 5.960 5.162
115 1HB LEU 18 2HB LEU 18 30.569 6.847 7.420
116 2HB LEU 18 1HB LEU 18 31.051 5.203 7.732
117 HG LEU 18 HG LEU 18 33.053 7.295 6.791
118 1HD1 LEU 18 3HD1 LEU 18 32.404 6.616 9.668
119 2HD1 LEU 18 2HD1 LEU 18 33.732 7.627 9.114
120 3HD1 LEU 18 1HD1 LEU 18 32.081 8.141 8.849
121 1HD2 LEU 18 3HD2 LEU 18 33.702 4.811 6.680
122 2HD2 LEU 18 2HD2 LEU 18 34.686 5.692 7.838
123 3HD2 LEU 18 1HD2 LEU 18 33.356 4.690 8.389
124 H SER 19 H SER 19 30.363 4.640 3.461
125 HA SER 19 HA SER 19 29.819 2.058 4.815
126 1HB SER 19 2HB SER 19 28.201 3.095 3.071
127 2HB SER 19 1HB SER 19 29.441 2.675 1.872
128 HG SER 19 HG SER 19 29.331 0.516 3.048
129 H GLY 20 H GLY 20 32.581 3.318 3.407
130 1HA GLY 20 2HA GLY 20 33.765 0.658 3.133
131 2HA GLY 20 1HA GLY 20 33.620 1.530 1.650
132 H ILE 21 H ILE 21 36.036 0.817 3.528
133 HA ILE 21 HA ILE 21 37.045 3.660 3.722
134 HB ILE 21 HB ILE 21 38.243 1.072 4.792
135 1HG1 ILE 21 2HG1 ILE 21 36.186 1.835 6.069
136 2HG1 ILE 21 1HG1 ILE 21 37.626 1.819 7.056
137 1HG2 ILE 21 3HG2 ILE 21 39.241 3.901 5.149
138 2HG2 ILE 21 2HG2 ILE 21 39.856 2.496 6.002
139 3HG2 ILE 21 1HG2 ILE 21 40.025 2.599 4.263
140 1HD1 ILE 21 3HD1 ILE 21 36.455 4.301 5.732
141 2HD1 ILE 21 2HD1 ILE 21 36.312 3.887 7.431
142 3HD1 ILE 21 1HD1 ILE 21 37.879 4.294 6.760
143 H LEU 22 H LEU 22 38.746 4.234 2.403
144 HA LEU 22 HA LEU 22 39.094 2.655 0.021
145 1HB LEU 22 2HB LEU 22 40.705 4.292 -0.715
146 2HB LEU 22 1HB LEU 22 39.466 5.134 0.170
147 HG LEU 22 HG LEU 22 41.136 4.805 2.218
148 1HD1 LEU 22 2HD1 LEU 22 43.036 4.701 -0.163
149 2HD1 LEU 22 1HD1 LEU 22 43.526 4.959 1.501
150 3HD1 LEU 22 3HD1 LEU 22 42.847 3.432 1.022
151 1HD2 LEU 22 1HD2 LEU 22 40.448 7.004 1.213
152 2HD2 LEU 22 3HD2 LEU 22 42.156 7.058 1.612
153 3HD2 LEU 22 2HD2 LEU 22 41.642 6.810 -0.051
154 H TRP 23 H TRP 23 40.764 1.342 -0.755
155 HA TRP 23 HA TRP 23 42.764 0.542 1.221
156 1HB TRP 23 2HB TRP 23 40.770 -1.248 -0.137
157 2HB TRP 23 1HB TRP 23 42.370 -1.874 0.087
158 HD1 TRP 23 HD1 TRP 23 39.338 -1.016 2.230
159 HE1 TRP 23 HE1 TRP 23 39.928 -1.300 4.653
160 HE3 TRP 23 HE3 TRP 23 44.214 -1.546 1.627
161 HZ2 TRP 23 HZ2 TRP 23 42.234 -1.622 6.158
162 HZ3 TRP 23 HZ3 TRP 23 45.725 -1.789 3.558
163 HH2 TRP 23 HH2 TRP 23 44.722 -1.849 5.881
164 H PHE 24 H PHE 24 44.488 0.212 0.869
165 HA PHE 24 HA PHE 24 45.812 0.532 -1.710
166 1HB PHE 24 2HB PHE 24 46.357 0.907 1.205
167 2HB PHE 24 1HB PHE 24 47.751 0.326 0.391
168 HD1 PHE 24 HD1 PHE 24 45.016 2.649 -0.786
169 HD2 PHE 24 HD2 PHE 24 49.135 2.294 0.248
170 HE1 PHE 24 HE1 PHE 24 45.391 4.951 -1.479
171 HE2 PHE 24 HE2 PHE 24 49.512 4.616 -0.449
172 HZ PHE 24 HZ PHE 24 47.636 5.955 -1.320
173 H TYR 25 H TYR 25 44.609 -1.818 -1.825
174 HA TYR 25 HA TYR 25 46.816 -3.735 -1.424
175 1HB TYR 25 2HB TYR 25 44.004 -3.935 -0.589
176 2HB TYR 25 1HB TYR 25 44.549 -5.352 -1.461
177 HD1 TYR 25 HD2 TYR 25 45.672 -3.046 1.315
178 HD2 TYR 25 HD1 TYR 25 45.811 -6.926 -0.403
179 HE1 TYR 25 HE2 TYR 25 46.900 -3.867 3.280
180 HE2 TYR 25 HE1 TYR 25 47.029 -7.751 1.563
181 HH TYR 25 HH TYR 25 48.549 -6.716 3.419
182 HA PRO 26 HA PRO 26 46.500 -4.081 -5.794
183 1HB PRO 26 2HB PRO 26 48.279 -6.133 -6.218
184 2HB PRO 26 1HB PRO 26 48.843 -4.532 -5.721
185 1HG PRO 26 2HG PRO 26 48.148 -6.918 -3.902
186 2HG PRO 26 1HG PRO 26 49.659 -6.005 -3.942
187 1HD PRO 26 2HD PRO 26 47.771 -5.294 -2.137
188 2HD PRO 26 1HD PRO 26 48.558 -3.967 -3.012
189 H SER 27 H SER 27 45.685 -6.441 -3.545
190 HA SER 27 HA SER 27 44.408 -8.301 -5.414
191 1HB SER 27 2HB SER 27 43.759 -9.358 -3.108
192 2HB SER 27 1HB SER 27 45.501 -9.276 -3.453
193 HG SER 27 HG SER 27 43.993 -7.810 -1.641
194 H GLY 28 H GLY 28 43.618 -5.401 -4.024
195 1HA GLY 28 2HA GLY 28 41.428 -4.416 -4.625
196 2HA GLY 28 1HA GLY 28 40.674 -5.942 -4.160
197 H CYS 29 H CYS 29 40.532 -6.503 -2.031
198 HA CYS 29 HA CYS 29 41.116 -4.403 -0.079
199 1HB CYS 29 2HB CYS 29 39.474 -6.883 0.421
200 2HB CYS 29 1HB CYS 29 39.453 -5.311 1.126
201 HA PRO 30 HA PRO 30 43.618 -7.492 2.132
202 1HB PRO 30 2HB PRO 30 43.934 -6.364 4.499
203 2HB PRO 30 1HB PRO 30 44.540 -5.523 3.063
204 1HG PRO 30 2HG PRO 30 41.810 -5.208 4.320
205 2HG PRO 30 1HG PRO 30 42.982 -3.949 4.142
206 1HD PRO 30 2HD PRO 30 41.037 -4.355 2.274
207 2HD PRO 30 1HD PRO 30 42.655 -3.884 1.747
208 H SER 31 H SER 31 43.528 -8.791 4.049
209 HA SER 31 HA SER 31 41.228 -10.350 4.216
210 1HB SER 31 2HB SER 31 43.526 -11.152 4.917
211 2HB SER 31 1HB SER 31 43.418 -10.121 6.355
212 HG SER 31 HG SER 31 42.161 -11.590 7.197
213 H GLY 32 H GLY 32 39.523 -10.121 5.169
214 1HA GLY 32 2HA GLY 32 38.071 -9.696 7.139
215 2HA GLY 32 1HA GLY 32 39.150 -8.386 7.593
216 H TRP 33 H TRP 33 38.939 -7.997 4.426
217 HA TRP 33 HA TRP 33 36.576 -6.211 4.565
218 1HB TRP 33 2HB TRP 33 39.094 -6.084 2.902
219 2HB TRP 33 1HB TRP 33 37.834 -4.895 2.814
220 HD1 TRP 33 HD1 TRP 33 40.367 -6.282 5.455
221 HE1 TRP 33 HE1 TRP 33 40.886 -4.460 7.091
222 HE3 TRP 33 HE3 TRP 33 37.216 -2.807 3.688
223 HZ2 TRP 33 HZ2 TRP 33 40.114 -1.873 7.566
224 HZ3 TRP 33 HZ3 TRP 33 37.106 -0.601 4.770
225 HH2 TRP 33 HH2 TRP 33 38.608 -0.133 6.741
226 H HIS 34 H HIS 34 35.300 -6.172 2.659
227 HA HIS 34 HA HIS 34 35.812 -8.368 0.696
228 1HB HIS 34 2HB HIS 34 34.430 -9.198 2.627
229 2HB HIS 34 1HB HIS 34 33.224 -7.981 2.253
230 HD1 HIS 34 HD1 HIS 34 34.717 -11.117 0.827
231 HD2 HIS 34 HD2 HIS 34 31.548 -8.516 0.171
232 HE1 HIS 34 HE1 HIS 34 33.175 -12.125 -0.858
233 H ASN 35 H ASN 35 36.254 -5.791 0.350
234 HA ASN 35 HA ASN 35 35.961 -3.985 -1.040
235 1HB ASN 35 2HB ASN 35 35.995 -5.842 -2.702
236 2HB ASN 35 1HB ASN 35 34.235 -5.891 -2.632
237 1HD2 ASN 35 2HD2 ASN 35 35.999 -2.892 -4.708
238 2HD2 ASN 35 1HD2 ASN 35 36.985 -3.974 -3.837
239 H CYS 36 H CYS 36 34.744 -2.228 -1.553
240 HA CYS 36 HA CYS 36 31.924 -2.189 -0.598
241 1HB CYS 36 2HB CYS 36 32.334 -0.271 0.434
242 2HB CYS 36 1HB CYS 36 33.886 -0.971 0.629
243 H LYS 37 H LYS 37 34.368 -1.136 -2.881
244 HA LYS 37 HA LYS 37 32.254 -0.629 -4.909
245 1HB LYS 37 2HB LYS 37 32.917 1.559 -3.920
246 2HB LYS 37 1HB LYS 37 34.580 1.262 -4.386
247 1HG LYS 37 2HG LYS 37 34.191 1.655 -6.624
248 2HG LYS 37 1HG LYS 37 32.612 0.900 -6.612
249 1HD LYS 37 2HD LYS 37 32.346 3.261 -7.064
250 2HD LYS 37 1HD LYS 37 31.665 2.910 -5.493
251 1HE LYS 37 2HE LYS 37 33.844 3.725 -4.453
252 2HE LYS 37 1HE LYS 37 34.359 4.212 -6.064
253 1HZ LYS 37 3HZ LYS 37 31.756 5.157 -5.619
254 2HZ LYS 37 2HZ LYS 37 32.667 5.536 -4.279
255 3HZ LYS 37 1HZ LYS 37 33.183 6.067 -5.823
256 H ALA 38 H ALA 38 32.604 -1.737 -6.545
257 HA ALA 38 HA ALA 38 35.260 -2.879 -7.229
258 1HB ALA 38 1HB ALA 38 33.253 -4.424 -7.095
259 2HB ALA 38 3HB ALA 38 32.468 -3.467 -8.345
260 3HB ALA 38 2HB ALA 38 33.930 -4.367 -8.720
261 H HIS 39 H HIS 39 34.224 -0.053 -7.549
262 HA HIS 39 HA HIS 39 34.959 0.215 -10.440
263 1HB HIS 39 2HB HIS 39 32.731 1.820 -9.111
264 2HB HIS 39 1HB HIS 39 33.068 1.728 -10.831
265 HD1 HIS 39 HD1 HIS 39 33.226 -1.398 -10.994
266 HD2 HIS 39 HD2 HIS 39 30.367 0.774 -8.872
267 HE1 HIS 39 HE1 HIS 39 31.224 -2.780 -10.675
268 H GLY 40 H GLY 40 37.012 0.587 -9.136
269 1HA GLY 40 2HA GLY 40 38.684 2.239 -8.798
270 2HA GLY 40 1HA GLY 40 37.432 3.499 -8.881
271 HA PRO 41 HA PRO 41 38.994 5.016 -7.357
272 1HB PRO 41 2HB PRO 41 41.046 5.270 -5.521
273 2HB PRO 41 1HB PRO 41 39.398 5.790 -5.135
274 1HG PRO 41 2HG PRO 41 40.562 2.952 -4.727
275 2HG PRO 41 1HG PRO 41 39.983 4.017 -3.443
276 1HD PRO 41 2HD PRO 41 38.165 2.397 -4.385
277 2HD PRO 41 1HD PRO 41 37.731 4.107 -4.429
278 H ASN 42 H ASN 42 41.337 5.435 -8.031
279 HA ASN 42 HA ASN 42 42.393 3.015 -9.313
280 1HB ASN 42 2HB ASN 42 41.988 5.008 -10.818
281 2HB ASN 42 1HB ASN 42 42.879 6.037 -9.707
282 1HD2 ASN 42 2HD2 ASN 42 45.064 3.488 -12.028
283 2HD2 ASN 42 1HD2 ASN 42 43.460 3.041 -11.693
284 H ILE 43 H ILE 43 42.593 4.846 -6.637
285 HA ILE 43 HA ILE 43 45.378 4.469 -6.454
286 HB ILE 43 HB ILE 43 43.600 5.701 -4.233
287 1HG1 ILE 43 2HG1 ILE 43 45.015 7.221 -6.504
288 2HG1 ILE 43 1HG1 ILE 43 43.300 6.898 -6.507
289 1HG2 ILE 43 2HG2 ILE 43 45.994 5.195 -3.591
290 2HG2 ILE 43 1HG2 ILE 43 46.557 6.206 -4.899
291 3HG2 ILE 43 3HG2 ILE 43 45.686 6.908 -3.546
292 1HD1 ILE 43 3HD1 ILE 43 43.049 8.188 -4.369
293 2HD1 ILE 43 2HD1 ILE 43 44.765 8.571 -4.410
294 3HD1 ILE 43 1HD1 ILE 43 43.709 9.171 -5.665
295 H GLY 44 H GLY 44 43.686 2.354 -6.500
296 1HA GLY 44 2HA GLY 44 44.417 0.181 -5.319
297 2HA GLY 44 1HA GLY 44 43.883 1.015 -3.855
298 H TRP 45 H TRP 45 41.905 0.622 -3.340
299 HA TRP 45 HA TRP 45 39.633 0.596 -5.235
300 1HB TRP 45 2HB TRP 45 39.859 -1.807 -3.357
301 2HB TRP 45 1HB TRP 45 38.918 -1.667 -4.838
302 HD1 TRP 45 HD1 TRP 45 42.603 -1.971 -3.680
303 HE1 TRP 45 HE1 TRP 45 43.981 -3.078 -5.388
304 HE3 TRP 45 HE3 TRP 45 39.076 -2.362 -7.325
305 HZ2 TRP 45 HZ2 TRP 45 43.708 -3.999 -7.953
306 HZ3 TRP 45 HZ3 TRP 45 39.745 -3.419 -9.470
307 HH2 TRP 45 HH2 TRP 45 42.064 -4.232 -9.777
308 H CYS 46 H CYS 46 37.589 -0.097 -3.386
309 HA CYS 46 HA CYS 46 38.189 1.270 -0.809
310 1HB CYS 46 2HB CYS 46 37.082 2.860 -2.604
311 2HB CYS 46 1HB CYS 46 35.707 1.786 -2.538
312 H CYS 47 H CYS 47 37.569 0.014 0.673
313 HA CYS 47 HA CYS 47 35.586 -2.102 0.094
314 1HB CYS 47 2HB CYS 47 38.276 -2.328 1.387
315 2HB CYS 47 1HB CYS 47 37.109 -3.560 1.416
316 H LYS 48 H LYS 48 35.254 -3.543 2.113
317 HA LYS 48 HA LYS 48 35.119 -1.853 4.374
318 1HB LYS 48 2HB LYS 48 33.155 -1.309 2.869
319 2HB LYS 48 1HB LYS 48 32.632 -2.974 2.998
320 1HG LYS 48 2HG LYS 48 31.457 -1.430 4.552
321 2HG LYS 48 1HG LYS 48 32.313 -2.726 5.384
322 1HD LYS 48 2HD LYS 48 34.125 -1.319 5.948
323 2HD LYS 48 1HD LYS 48 33.719 -0.145 4.779
324 1HE LYS 48 2HE LYS 48 31.749 0.536 6.198
325 2HE LYS 48 1HE LYS 48 32.162 -0.733 7.347
326 1HZ LYS 48 1HZ LYS 48 34.464 0.788 6.893
327 2HZ LYS 48 3HZ LYS 48 33.172 1.858 7.175
328 3HZ LYS 48 2HZ LYS 48 33.542 0.655 8.312
329 H LYS 49 H LYS 49 34.693 -2.832 6.164
330 HA LYS 49 HA LYS 49 35.455 -5.683 6.262
331 1HB LYS 49 2HB LYS 49 34.688 -3.765 8.505
332 2HB LYS 49 1HB LYS 49 35.193 -5.423 8.775
333 1HG LYS 49 2HG LYS 49 37.348 -4.866 7.521
334 2HG LYS 49 1HG LYS 49 36.837 -3.184 7.534
335 1HD LYS 49 2HD LYS 49 36.691 -3.264 10.038
336 2HD LYS 49 1HD LYS 49 37.221 -4.941 10.008
337 1HE LYS 49 2HE LYS 49 39.344 -4.181 8.842
338 2HE LYS 49 1HE LYS 49 38.784 -2.522 9.091
339 1HZ LYS 49 3HZ LYS 49 38.599 -3.816 11.529
340 2HZ LYS 49 2HZ LYS 49 40.131 -4.168 10.886
341 3HZ LYS 49 1HZ LYS 49 39.631 -2.555 11.064
No H/Q in entry = 341
Start of MODEL 11
1 1H GLY 1 1H GLY 1 42.699 5.615 7.914
2 2H GLY 1 3H GLY 1 43.129 3.975 7.864
3 3H GLY 1 2H GLY 1 44.189 5.151 7.243
4 1HA GLY 1 2HA GLY 1 43.247 4.994 5.251
5 2HA GLY 1 1HA GLY 1 42.131 3.783 5.898
6 H VAL 2 H VAL 2 41.490 5.886 3.973
7 HA VAL 2 HA VAL 2 39.774 7.731 5.546
8 HB VAL 2 HB VAL 2 40.238 7.617 2.538
9 1HG1 VAL 2 2HG1 VAL 2 38.295 8.993 3.159
10 2HG1 VAL 2 1HG1 VAL 2 39.288 9.943 4.261
11 3HG1 VAL 2 3HG1 VAL 2 39.585 9.994 2.530
12 1HG2 VAL 2 1HG2 VAL 2 41.774 9.271 4.605
13 2HG2 VAL 2 3HG2 VAL 2 42.443 7.937 3.686
14 3HG2 VAL 2 2HG2 VAL 2 41.966 9.403 2.864
15 HA PRO 3 HA PRO 3 36.314 5.197 4.180
16 1HB PRO 3 2HB PRO 3 34.196 6.596 4.888
17 2HB PRO 3 1HB PRO 3 35.271 6.019 6.171
18 1HG PRO 3 2HG PRO 3 35.392 8.748 4.748
19 2HG PRO 3 1HG PRO 3 35.237 8.459 6.484
20 1HD PRO 3 2HD PRO 3 37.660 8.847 5.355
21 2HD PRO 3 1HD PRO 3 37.520 7.649 6.663
22 H CYS 4 H CYS 4 34.908 5.097 2.391
23 HA CYS 4 HA CYS 4 34.846 7.495 0.641
24 1HB CYS 4 2HB CYS 4 35.321 5.593 -1.242
25 2HB CYS 4 1HB CYS 4 36.612 6.481 -0.474
26 H LEU 5 H LEU 5 33.452 7.121 -1.219
27 HA LEU 5 HA LEU 5 30.893 5.942 -0.332
28 1HB LEU 5 2HB LEU 5 30.955 8.299 -1.216
29 2HB LEU 5 1HB LEU 5 31.639 7.732 -2.724
30 HG LEU 5 HG LEU 5 28.939 6.638 -1.796
31 1HD1 LEU 5 1HD1 LEU 5 28.810 9.111 -1.667
32 2HD1 LEU 5 3HD1 LEU 5 29.398 9.246 -3.316
33 3HD1 LEU 5 2HD1 LEU 5 27.838 8.504 -2.992
34 1HD2 LEU 5 3HD2 LEU 5 30.071 7.238 -4.603
35 2HD2 LEU 5 2HD2 LEU 5 30.036 5.642 -3.893
36 3HD2 LEU 5 1HD2 LEU 5 28.542 6.455 -4.250
37 H CYS 6 H CYS 6 29.923 4.333 -1.743
38 HA CYS 6 HA CYS 6 31.738 3.169 -3.777
39 1HB CYS 6 2HB CYS 6 30.431 1.193 -1.983
40 2HB CYS 6 1HB CYS 6 31.879 1.142 -2.897
41 H ASP 7 H ASP 7 30.553 0.914 -4.296
42 HA ASP 7 HA ASP 7 28.230 1.661 -5.934
43 1HB ASP 7 2HB ASP 7 30.039 0.183 -6.848
44 2HB ASP 7 1HB ASP 7 29.730 -0.990 -5.589
45 H SER 8 H SER 8 28.928 -0.933 -3.623
46 HA SER 8 HA SER 8 26.094 -1.434 -3.147
47 1HB SER 8 2HB SER 8 28.520 -2.397 -1.541
48 2HB SER 8 1HB SER 8 26.906 -3.135 -1.600
49 HG SER 8 HG SER 8 27.584 -4.068 -3.349
50 H ASP 9 H ASP 9 28.321 0.723 -2.095
51 HA ASP 9 HA ASP 9 27.633 1.247 0.618
52 1HB ASP 9 2HB ASP 9 29.755 2.043 -0.397
53 2HB ASP 9 1HB ASP 9 28.799 2.970 -1.522
54 H GLY 10 H GLY 10 25.851 2.076 -2.199
55 1HA GLY 10 2HA GLY 10 23.914 3.504 -0.509
56 2HA GLY 10 1HA GLY 10 24.741 4.559 -1.635
57 HA PRO 11 HA PRO 11 21.969 1.755 -4.341
58 1HB PRO 11 2HB PRO 11 20.415 -0.168 -3.267
59 2HB PRO 11 1HB PRO 11 22.147 -0.474 -3.492
60 1HG PRO 11 2HG PRO 11 20.776 0.662 -0.970
61 2HG PRO 11 1HG PRO 11 21.762 -0.801 -1.074
62 1HD PRO 11 2HD PRO 11 22.954 1.498 -0.371
63 2HD PRO 11 1HD PRO 11 23.785 0.444 -1.527
64 H ARG 12 H ARG 12 21.464 4.028 -2.541
65 HA ARG 12 HA ARG 12 18.596 4.403 -3.070
66 1HB ARG 12 2HB ARG 12 19.896 4.390 -0.368
67 2HB ARG 12 1HB ARG 12 18.638 5.579 -0.655
68 1HG ARG 12 2HG ARG 12 16.980 3.991 -1.014
69 2HG ARG 12 1HG ARG 12 18.080 2.743 -1.541
70 1HD ARG 12 2HD ARG 12 17.269 2.095 0.535
71 2HD ARG 12 1HD ARG 12 18.946 2.593 0.788
72 HE ARG 12 HE ARG 12 17.486 4.882 1.355
73 1HH1 ARG 12 1HH2 ARG 12 16.868 1.624 2.257
74 2HH1 ARG 12 2HH2 ARG 12 16.530 1.992 3.908
75 1HH2 ARG 12 2HH1 ARG 12 17.326 5.362 3.593
76 2HH2 ARG 12 1HH1 ARG 12 16.788 4.122 4.668
77 HA PRO 13 HA PRO 13 20.553 8.193 -4.393
78 1HB PRO 13 2HB PRO 13 18.429 9.654 -5.211
79 2HB PRO 13 1HB PRO 13 18.810 8.133 -6.040
80 1HG PRO 13 2HG PRO 13 16.901 8.514 -3.645
81 2HG PRO 13 1HG PRO 13 16.493 7.841 -5.228
82 1HD PRO 13 2HD PRO 13 17.190 6.177 -3.233
83 2HD PRO 13 1HD PRO 13 17.837 5.861 -4.860
84 H ARG 14 H ARG 14 21.045 10.229 -3.559
85 HA ARG 14 HA ARG 14 21.381 11.754 -1.858
86 1HB ARG 14 2HB ARG 14 18.327 11.477 -1.639
87 2HB ARG 14 1HB ARG 14 19.292 12.807 -1.035
88 1HG ARG 14 2HG ARG 14 19.885 13.582 -3.193
89 2HG ARG 14 1HG ARG 14 19.410 12.087 -3.974
90 1HD ARG 14 2HD ARG 14 17.733 13.876 -4.370
91 2HD ARG 14 1HD ARG 14 17.032 12.540 -3.463
92 HE ARG 14 HE ARG 14 18.069 14.615 -1.709
93 1HH1 ARG 14 2HH1 ARG 14 15.764 13.365 -0.763
94 2HH1 ARG 14 1HH1 ARG 14 14.432 14.367 -1.226
95 1HH2 ARG 14 1HH2 ARG 14 16.332 16.040 -3.664
96 2HH2 ARG 14 2HH2 ARG 14 14.771 15.949 -2.927
97 H GLY 15 H GLY 15 21.224 8.886 -1.271
98 1HA GLY 15 2HA GLY 15 20.281 8.512 1.433
99 2HA GLY 15 1HA GLY 15 21.348 7.410 0.567
100 H ASN 16 H ASN 16 23.228 9.717 0.122
101 HA ASN 16 HA ASN 16 25.251 10.410 1.122
102 1HB ASN 16 2HB ASN 16 23.246 10.982 3.371
103 2HB ASN 16 1HB ASN 16 24.901 11.577 3.370
104 1HD2 ASN 16 2HD2 ASN 16 22.195 13.317 0.903
105 2HD2 ASN 16 1HD2 ASN 16 21.761 11.870 1.682
106 H THR 17 H THR 17 24.887 7.630 1.213
107 HA THR 17 HA THR 17 25.629 6.752 3.905
108 HB THR 17 HB THR 17 25.565 4.466 2.505
109 HG1 THR 17 HG1 THR 17 25.457 4.953 0.489
110 1HG2 THR 17 1HG2 THR 17 23.080 6.276 2.468
111 2HG2 THR 17 3HG2 THR 17 23.072 4.521 2.400
112 3HG2 THR 17 2HG2 THR 17 23.566 5.341 3.873
113 H LEU 18 H LEU 18 27.595 5.806 4.376
114 HA LEU 18 HA LEU 18 29.815 5.645 2.497
115 1HB LEU 18 2HB LEU 18 29.770 8.050 2.827
116 2HB LEU 18 1HB LEU 18 29.541 7.886 4.542
117 HG LEU 18 HG LEU 18 32.106 6.669 3.630
118 1HD1 LEU 18 3HD1 LEU 18 31.712 9.700 3.336
119 2HD1 LEU 18 2HD1 LEU 18 33.232 8.837 3.209
120 3HD1 LEU 18 1HD1 LEU 18 31.993 8.581 2.006
121 1HD2 LEU 18 3HD2 LEU 18 31.357 8.858 5.649
122 2HD2 LEU 18 2HD2 LEU 18 31.520 7.159 6.039
123 3HD2 LEU 18 1HD2 LEU 18 32.921 8.085 5.566
124 H SER 19 H SER 19 29.873 3.434 3.308
125 HA SER 19 HA SER 19 30.807 3.185 6.130
126 1HB SER 19 2HB SER 19 29.543 0.989 6.170
127 2HB SER 19 1HB SER 19 28.464 2.379 5.955
128 HG SER 19 HG SER 19 29.083 0.374 4.213
129 H GLY 20 H GLY 20 32.447 3.321 3.659
130 1HA GLY 20 2HA GLY 20 33.805 0.689 3.997
131 2HA GLY 20 1HA GLY 20 33.522 1.338 2.376
132 H ILE 21 H ILE 21 36.076 0.789 3.546
133 HA ILE 21 HA ILE 21 37.211 3.569 3.725
134 HB ILE 21 HB ILE 21 38.399 0.964 4.732
135 1HG1 ILE 21 2HG1 ILE 21 36.472 1.474 6.185
136 2HG1 ILE 21 1HG1 ILE 21 37.928 1.834 7.086
137 1HG2 ILE 21 2HG2 ILE 21 39.388 3.777 5.213
138 2HG2 ILE 21 1HG2 ILE 21 40.044 2.333 5.960
139 3HG2 ILE 21 3HG2 ILE 21 40.167 2.551 4.224
140 1HD1 ILE 21 1HD1 ILE 21 37.661 4.263 6.548
141 2HD1 ILE 21 3HD1 ILE 21 36.172 3.869 5.697
142 3HD1 ILE 21 2HD1 ILE 21 36.284 3.608 7.419
143 H LEU 22 H LEU 22 38.936 4.012 2.360
144 HA LEU 22 HA LEU 22 38.995 2.406 -0.052
145 1HB LEU 22 2HB LEU 22 40.727 3.997 -0.843
146 2HB LEU 22 1HB LEU 22 39.267 4.771 -0.297
147 HG LEU 22 HG LEU 22 40.485 5.189 1.936
148 1HD1 LEU 22 3HD1 LEU 22 42.925 4.638 0.178
149 2HD1 LEU 22 2HD1 LEU 22 42.975 5.404 1.755
150 3HD1 LEU 22 1HD1 LEU 22 42.506 3.736 1.617
151 1HD2 LEU 22 1HD2 LEU 22 41.415 6.524 -0.651
152 2HD2 LEU 22 3HD2 LEU 22 39.974 6.947 0.253
153 3HD2 LEU 22 2HD2 LEU 22 41.562 7.252 0.939
154 H TRP 23 H TRP 23 40.762 1.202 -0.868
155 HA TRP 23 HA TRP 23 42.795 0.528 1.126
156 1HB TRP 23 2HB TRP 23 40.850 -1.342 -0.189
157 2HB TRP 23 1HB TRP 23 42.465 -1.933 0.097
158 HD1 TRP 23 HD1 TRP 23 39.329 -1.262 2.109
159 HE1 TRP 23 HE1 TRP 23 39.792 -1.370 4.562
160 HE3 TRP 23 HE3 TRP 23 44.227 -1.288 1.723
161 HZ2 TRP 23 HZ2 TRP 23 42.163 -1.388 6.197
162 HZ3 TRP 23 HZ3 TRP 23 45.692 -1.275 3.688
163 HH2 TRP 23 HH2 TRP 23 44.629 -1.349 5.981
164 H PHE 24 H PHE 24 44.518 0.222 0.751
165 HA PHE 24 HA PHE 24 45.796 0.628 -1.833
166 1HB PHE 24 2HB PHE 24 46.322 1.025 1.065
167 2HB PHE 24 1HB PHE 24 47.735 0.425 0.293
168 HD1 PHE 24 HD1 PHE 24 45.003 2.991 -0.037
169 HD2 PHE 24 HD2 PHE 24 49.078 2.065 -0.876
170 HE1 PHE 24 HE1 PHE 24 45.358 5.274 -0.842
171 HE2 PHE 24 HE2 PHE 24 49.434 4.355 -1.682
172 HZ PHE 24 HZ PHE 24 47.575 5.967 -1.666
173 H TYR 25 H TYR 25 44.622 -1.721 -2.010
174 HA TYR 25 HA TYR 25 46.804 -3.636 -1.616
175 1HB TYR 25 2HB TYR 25 43.968 -3.818 -0.774
176 2HB TYR 25 1HB TYR 25 44.513 -5.245 -1.631
177 HD1 TYR 25 HD2 TYR 25 45.749 -2.853 1.005
178 HD2 TYR 25 HD1 TYR 25 45.694 -6.853 -0.440
179 HE1 TYR 25 HE2 TYR 25 47.027 -3.574 2.957
180 HE2 TYR 25 HE1 TYR 25 46.970 -7.572 1.516
181 HH TYR 25 HH TYR 25 48.600 -5.503 3.528
182 HA PRO 26 HA PRO 26 46.480 -4.368 -5.967
183 1HB PRO 26 2HB PRO 26 48.054 -6.573 -6.151
184 2HB PRO 26 1HB PRO 26 48.758 -5.013 -5.693
185 1HG PRO 26 2HG PRO 26 47.705 -7.210 -3.800
186 2HG PRO 26 1HG PRO 26 49.311 -6.482 -3.803
187 1HD PRO 26 2HD PRO 26 47.396 -5.491 -2.162
188 2HD PRO 26 1HD PRO 26 48.411 -4.297 -2.984
189 H SER 27 H SER 27 45.360 -6.352 -3.534
190 HA SER 27 HA SER 27 43.832 -8.186 -5.279
191 1HB SER 27 2HB SER 27 43.389 -9.224 -2.908
192 2HB SER 27 1HB SER 27 45.077 -9.284 -3.474
193 HG SER 27 HG SER 27 43.900 -7.713 -1.522
194 H GLY 28 H GLY 28 43.243 -5.263 -4.748
195 1HA GLY 28 2HA GLY 28 41.136 -4.129 -4.708
196 2HA GLY 28 1HA GLY 28 40.352 -5.649 -4.301
197 H CYS 29 H CYS 29 40.405 -6.412 -2.211
198 HA CYS 29 HA CYS 29 40.870 -4.399 -0.150
199 1HB CYS 29 2HB CYS 29 39.467 -7.060 0.092
200 2HB CYS 29 1HB CYS 29 39.395 -5.690 1.115
201 HA PRO 30 HA PRO 30 43.591 -7.352 2.027
202 1HB PRO 30 2HB PRO 30 44.024 -6.098 4.279
203 2HB PRO 30 1HB PRO 30 44.467 -5.259 2.775
204 1HG PRO 30 2HG PRO 30 41.812 -5.087 4.216
205 2HG PRO 30 1HG PRO 30 42.878 -3.756 3.938
206 1HD PRO 30 2HD PRO 30 40.851 -4.397 2.184
207 2HD PRO 30 1HD PRO 30 42.384 -3.766 1.564
208 H SER 31 H SER 31 43.625 -8.608 3.907
209 HA SER 31 HA SER 31 41.519 -10.266 4.334
210 1HB SER 31 2HB SER 31 43.772 -9.725 6.317
211 2HB SER 31 1HB SER 31 42.966 -11.267 5.992
212 HG SER 31 HG SER 31 44.395 -11.475 4.419
213 H GLY 32 H GLY 32 39.664 -9.853 5.149
214 1HA GLY 32 2HA GLY 32 38.357 -9.670 7.297
215 2HA GLY 32 1HA GLY 32 39.402 -8.334 7.743
216 H TRP 33 H TRP 33 38.971 -7.865 4.644
217 HA TRP 33 HA TRP 33 36.641 -6.082 4.997
218 1HB TRP 33 2HB TRP 33 38.975 -6.040 3.040
219 2HB TRP 33 1HB TRP 33 37.713 -4.834 3.065
220 HD1 TRP 33 HD1 TRP 33 40.496 -6.192 5.516
221 HE1 TRP 33 HE1 TRP 33 41.061 -4.352 7.129
222 HE3 TRP 33 HE3 TRP 33 37.157 -2.874 3.884
223 HZ2 TRP 33 HZ2 TRP 33 40.176 -1.730 7.633
224 HZ3 TRP 33 HZ3 TRP 33 37.009 -0.672 4.910
225 HH2 TRP 33 HH2 TRP 33 38.531 -0.086 6.816
226 H HIS 34 H HIS 34 35.377 -5.855 2.894
227 HA HIS 34 HA HIS 34 35.584 -8.323 1.238
228 1HB HIS 34 2HB HIS 34 34.257 -8.825 3.281
229 2HB HIS 34 1HB HIS 34 33.097 -7.595 2.809
230 HD1 HIS 34 HD1 HIS 34 34.499 -10.869 1.632
231 HD2 HIS 34 HD2 HIS 34 31.235 -8.396 0.928
232 HE1 HIS 34 HE1 HIS 34 32.892 -12.057 0.138
233 H ASN 35 H ASN 35 36.045 -5.700 0.597
234 HA ASN 35 HA ASN 35 35.734 -4.148 -1.053
235 1HB ASN 35 2HB ASN 35 35.902 -6.207 -2.408
236 2HB ASN 35 1HB ASN 35 34.150 -6.381 -2.339
237 1HD2 ASN 35 2HD2 ASN 35 35.519 -3.162 -4.410
238 2HD2 ASN 35 1HD2 ASN 35 36.359 -3.571 -2.993
239 H CYS 36 H CYS 36 34.513 -2.441 -1.754
240 HA CYS 36 HA CYS 36 31.629 -2.504 -1.028
241 1HB CYS 36 2HB CYS 36 31.933 -0.442 -0.074
242 2HB CYS 36 1HB CYS 36 33.398 -1.251 0.355
243 H LYS 37 H LYS 37 34.029 -1.596 -3.391
244 HA LYS 37 HA LYS 37 31.918 -1.305 -5.424
245 1HB LYS 37 2HB LYS 37 33.012 0.753 -6.376
246 2HB LYS 37 1HB LYS 37 32.136 1.064 -4.911
247 1HG LYS 37 2HG LYS 37 33.967 1.570 -3.729
248 2HG LYS 37 1HG LYS 37 35.005 0.376 -4.490
249 1HD LYS 37 2HD LYS 37 35.786 2.564 -5.129
250 2HD LYS 37 1HD LYS 37 35.052 1.837 -6.544
251 1HE LYS 37 2HE LYS 37 32.960 3.170 -6.101
252 2HE LYS 37 1HE LYS 37 33.759 3.893 -4.711
253 1HZ LYS 37 3HZ LYS 37 35.455 4.095 -6.930
254 2HZ LYS 37 2HZ LYS 37 33.932 4.653 -7.387
255 3HZ LYS 37 1HZ LYS 37 34.702 5.335 -6.025
256 H ALA 38 H ALA 38 32.642 -1.554 -7.450
257 HA ALA 38 HA ALA 38 35.402 -2.639 -7.863
258 1HB ALA 38 1HB ALA 38 33.525 -4.379 -8.096
259 2HB ALA 38 3HB ALA 38 32.794 -3.354 -9.328
260 3HB ALA 38 2HB ALA 38 34.366 -4.081 -9.613
261 H HIS 39 H HIS 39 34.522 0.042 -7.802
262 HA HIS 39 HA HIS 39 34.879 0.840 -10.678
263 1HB HIS 39 2HB HIS 39 33.185 2.318 -8.614
264 2HB HIS 39 1HB HIS 39 33.191 2.600 -10.351
265 HD1 HIS 39 HD1 HIS 39 33.041 -0.625 -10.810
266 HD2 HIS 39 HD2 HIS 39 30.526 1.781 -8.543
267 HE1 HIS 39 HE1 HIS 39 30.886 -1.766 -10.535
268 H GLY 40 H GLY 40 37.041 0.452 -9.456
269 1HA GLY 40 2HA GLY 40 39.081 1.533 -8.906
270 2HA GLY 40 1HA GLY 40 38.225 3.090 -9.029
271 HA PRO 41 HA PRO 41 38.774 4.923 -7.442
272 1HB PRO 41 2HB PRO 41 40.847 5.326 -5.551
273 2HB PRO 41 1HB PRO 41 39.159 5.789 -5.294
274 1HG PRO 41 2HG PRO 41 40.459 3.055 -4.687
275 2HG PRO 41 1HG PRO 41 39.660 4.095 -3.504
276 1HD PRO 41 2HD PRO 41 38.055 2.329 -4.521
277 2HD PRO 41 1HD PRO 41 37.546 3.987 -4.794
278 H ASN 42 H ASN 42 41.156 5.816 -7.962
279 HA ASN 42 HA ASN 42 42.417 3.686 -9.544
280 1HB ASN 42 2HB ASN 42 42.836 6.746 -9.516
281 2HB ASN 42 1HB ASN 42 43.591 5.628 -10.637
282 1HD2 ASN 42 2HD2 ASN 42 40.918 6.540 -12.795
283 2HD2 ASN 42 1HD2 ASN 42 42.581 6.726 -12.498
284 H ILE 43 H ILE 43 42.425 5.124 -6.631
285 HA ILE 43 HA ILE 43 45.221 4.843 -6.407
286 HB ILE 43 HB ILE 43 43.362 5.979 -4.215
287 1HG1 ILE 43 2HG1 ILE 43 44.834 7.650 -6.340
288 2HG1 ILE 43 1HG1 ILE 43 43.148 7.222 -6.496
289 1HG2 ILE 43 3HG2 ILE 43 45.715 5.542 -3.463
290 2HG2 ILE 43 2HG2 ILE 43 46.335 6.554 -4.749
291 3HG2 ILE 43 1HG2 ILE 43 45.397 7.252 -3.441
292 1HD1 ILE 43 1HD1 ILE 43 42.631 8.368 -4.345
293 2HD1 ILE 43 3HD1 ILE 43 44.317 8.858 -4.202
294 3HD1 ILE 43 2HD1 ILE 43 43.341 9.470 -5.517
295 H GLY 44 H GLY 44 43.415 2.753 -6.445
296 1HA GLY 44 2HA GLY 44 44.247 0.546 -5.379
297 2HA GLY 44 1HA GLY 44 43.788 1.329 -3.855
298 H TRP 45 H TRP 45 41.822 0.806 -3.270
299 HA TRP 45 HA TRP 45 39.531 0.805 -5.173
300 1HB TRP 45 2HB TRP 45 39.803 -1.646 -3.388
301 2HB TRP 45 1HB TRP 45 38.844 -1.456 -4.856
302 HD1 TRP 45 HD1 TRP 45 42.493 -1.835 -3.685
303 HE1 TRP 45 HE1 TRP 45 43.909 -2.779 -5.482
304 HE3 TRP 45 HE3 TRP 45 39.035 -1.848 -7.407
305 HZ2 TRP 45 HZ2 TRP 45 43.666 -3.466 -8.110
306 HZ3 TRP 45 HZ3 TRP 45 39.735 -2.698 -9.633
307 HH2 TRP 45 HH2 TRP 45 42.052 -3.503 -9.981
308 H CYS 46 H CYS 46 37.468 -0.135 -3.415
309 HA CYS 46 HA CYS 46 37.954 1.148 -0.832
310 1HB CYS 46 2HB CYS 46 36.807 2.845 -2.430
311 2HB CYS 46 1HB CYS 46 35.550 1.661 -2.607
312 H CYS 47 H CYS 47 37.278 -0.051 0.599
313 HA CYS 47 HA CYS 47 35.345 -2.228 0.033
314 1HB CYS 47 2HB CYS 47 37.987 -2.319 1.385
315 2HB CYS 47 1HB CYS 47 36.893 -3.606 1.484
316 H LYS 48 H LYS 48 35.184 -3.380 2.419
317 HA LYS 48 HA LYS 48 34.987 -1.293 4.392
318 1HB LYS 48 2HB LYS 48 32.789 -1.397 4.874
319 2HB LYS 48 1HB LYS 48 32.824 -1.226 3.132
320 1HG LYS 48 2HG LYS 48 32.291 -3.688 4.775
321 2HG LYS 48 1HG LYS 48 31.213 -2.777 3.761
322 1HD LYS 48 2HD LYS 48 32.966 -3.200 1.920
323 2HD LYS 48 1HD LYS 48 33.627 -4.390 2.978
324 1HE LYS 48 2HE LYS 48 30.753 -4.499 1.970
325 2HE LYS 48 1HE LYS 48 32.025 -5.649 1.572
326 1HZ LYS 48 1HZ LYS 48 31.859 -5.437 4.356
327 2HZ LYS 48 3HZ LYS 48 30.289 -5.682 3.731
328 3HZ LYS 48 2HZ LYS 48 31.527 -6.788 3.385
329 H LYS 49 H LYS 49 34.101 -2.301 6.362
330 HA LYS 49 HA LYS 49 35.543 -4.880 6.848
331 1HB LYS 49 2HB LYS 49 34.135 -2.915 8.729
332 2HB LYS 49 1HB LYS 49 34.906 -4.371 9.305
333 1HG LYS 49 2HG LYS 49 36.674 -2.787 7.533
334 2HG LYS 49 1HG LYS 49 36.124 -1.857 8.900
335 1HD LYS 49 2HD LYS 49 38.253 -2.897 9.448
336 2HD LYS 49 1HD LYS 49 37.014 -3.610 10.451
337 1HE LYS 49 2HE LYS 49 37.893 -4.955 7.867
338 2HE LYS 49 1HE LYS 49 38.788 -5.181 9.357
339 1HZ LYS 49 1HZ LYS 49 36.086 -5.620 9.929
340 2HZ LYS 49 3HZ LYS 49 36.490 -6.476 8.497
341 3HZ LYS 49 2HZ LYS 49 37.377 -6.726 9.924
No H/Q in entry = 341
Start of MODEL 12
1 1H GLY 1 2H GLY 1 41.810 4.695 7.407
2 2H GLY 1 1H GLY 1 42.494 3.295 6.731
3 3H GLY 1 3H GLY 1 43.495 4.583 7.217
4 1HA GLY 1 2HA GLY 1 43.323 5.509 5.215
5 2HA GLY 1 1HA GLY 1 42.291 4.162 4.707
6 H VAL 2 H VAL 2 41.541 6.430 3.556
7 HA VAL 2 HA VAL 2 39.555 7.776 5.299
8 HB VAL 2 HB VAL 2 40.261 8.365 2.373
9 1HG1 VAL 2 3HG1 VAL 2 38.119 9.373 3.121
10 2HG1 VAL 2 2HG1 VAL 2 38.949 10.145 4.468
11 3HG1 VAL 2 1HG1 VAL 2 39.333 10.594 2.818
12 1HG2 VAL 2 1HG2 VAL 2 41.426 9.617 4.896
13 2HG2 VAL 2 3HG2 VAL 2 42.302 8.572 3.795
14 3HG2 VAL 2 2HG2 VAL 2 41.762 10.146 3.254
15 HA PRO 3 HA PRO 3 36.307 5.394 3.244
16 1HB PRO 3 2HB PRO 3 34.089 6.721 4.009
17 2HB PRO 3 1HB PRO 3 35.064 5.858 5.214
18 1HG PRO 3 2HG PRO 3 35.387 8.797 4.321
19 2HG PRO 3 1HG PRO 3 34.998 8.265 5.955
20 1HD PRO 3 2HD PRO 3 37.558 8.660 5.372
21 2HD PRO 3 1HD PRO 3 37.169 7.151 6.214
22 H CYS 4 H CYS 4 35.033 5.508 1.426
23 HA CYS 4 HA CYS 4 34.975 8.101 -0.040
24 1HB CYS 4 2HB CYS 4 35.498 6.312 -2.086
25 2HB CYS 4 1HB CYS 4 36.665 7.359 -1.343
26 H LEU 5 H LEU 5 33.754 7.569 -2.281
27 HA LEU 5 HA LEU 5 31.117 6.619 -1.374
28 1HB LEU 5 2HB LEU 5 31.332 8.810 -2.569
29 2HB LEU 5 1HB LEU 5 31.945 7.971 -3.977
30 HG LEU 5 HG LEU 5 29.328 6.869 -3.017
31 1HD1 LEU 5 2HD1 LEU 5 29.460 9.695 -4.162
32 2HD1 LEU 5 1HD1 LEU 5 27.997 8.767 -3.876
33 3HD1 LEU 5 3HD1 LEU 5 28.983 9.279 -2.524
34 1HD2 LEU 5 3HD2 LEU 5 30.287 7.839 -5.724
35 2HD2 LEU 5 2HD2 LEU 5 30.390 6.193 -5.135
36 3HD2 LEU 5 1HD2 LEU 5 28.823 6.923 -5.404
37 H CYS 6 H CYS 6 30.781 4.517 -1.537
38 HA CYS 6 HA CYS 6 32.087 3.002 -3.600
39 1HB CYS 6 2HB CYS 6 30.132 1.806 -1.614
40 2HB CYS 6 1HB CYS 6 31.513 1.094 -2.361
41 H ASP 7 H ASP 7 30.808 1.107 -4.268
42 HA ASP 7 HA ASP 7 29.079 1.968 -6.327
43 1HB ASP 7 2HB ASP 7 30.194 -0.188 -6.544
44 2HB ASP 7 1HB ASP 7 29.489 -0.782 -5.057
45 H SER 8 H SER 8 28.053 0.000 -3.559
46 HA SER 8 HA SER 8 25.282 0.906 -3.948
47 1HB SER 8 2HB SER 8 26.522 -0.781 -1.707
48 2HB SER 8 1HB SER 8 24.787 -0.533 -1.966
49 HG SER 8 HG SER 8 26.274 -2.331 -3.196
50 H ASP 9 H ASP 9 27.450 2.912 -3.246
51 HA ASP 9 HA ASP 9 26.565 3.741 -0.536
52 1HB ASP 9 2HB ASP 9 29.005 3.718 -1.089
53 2HB ASP 9 1HB ASP 9 28.747 4.912 -2.325
54 H GLY 10 H GLY 10 25.514 4.286 -3.598
55 1HA GLY 10 2HA GLY 10 25.079 6.952 -4.055
56 2HA GLY 10 1HA GLY 10 23.813 5.779 -4.341
57 HA PRO 11 HA PRO 11 21.455 7.544 -1.058
58 1HB PRO 11 2HB PRO 11 20.460 5.617 0.541
59 2HB PRO 11 1HB PRO 11 20.144 5.514 -1.206
60 1HG PRO 11 2HG PRO 11 22.504 4.255 0.327
61 2HG PRO 11 1HG PRO 11 21.289 3.407 -0.639
62 1HD PRO 11 2HD PRO 11 23.605 4.136 -1.794
63 2HD PRO 11 1HD PRO 11 22.104 4.358 -2.712
64 H ARG 12 H ARG 12 24.356 6.878 -0.395
65 HA ARG 12 HA ARG 12 24.335 7.943 2.382
66 1HB ARG 12 2HB ARG 12 25.620 5.476 1.309
67 2HB ARG 12 1HB ARG 12 26.430 6.302 2.618
68 1HG ARG 12 2HG ARG 12 24.209 6.276 3.862
69 2HG ARG 12 1HG ARG 12 23.564 5.302 2.550
70 1HD ARG 12 2HD ARG 12 25.264 3.585 2.953
71 2HD ARG 12 1HD ARG 12 25.984 4.578 4.226
72 HE ARG 12 HE ARG 12 24.293 3.797 5.661
73 1HH1 ARG 12 2HH1 ARG 12 22.000 5.020 4.693
74 2HH1 ARG 12 1HH1 ARG 12 21.014 3.774 4.008
75 1HH2 ARG 12 1HH2 ARG 12 23.743 1.554 3.775
76 2HH2 ARG 12 2HH2 ARG 12 22.049 1.721 3.461
77 HA PRO 13 HA PRO 13 27.199 10.377 -0.320
78 1HB PRO 13 2HB PRO 13 25.935 12.789 -0.311
79 2HB PRO 13 1HB PRO 13 25.221 11.447 -1.202
80 1HG PRO 13 2HG PRO 13 24.666 12.154 1.740
81 2HG PRO 13 1HG PRO 13 23.503 12.175 0.409
82 1HD PRO 13 2HD PRO 13 23.753 9.935 1.864
83 2HD PRO 13 1HD PRO 13 23.635 9.772 0.098
84 H ARG 14 H ARG 14 27.316 13.110 0.787
85 HA ARG 14 HA ARG 14 29.386 12.729 2.713
86 1HB ARG 14 2HB ARG 14 29.413 15.172 2.836
87 2HB ARG 14 1HB ARG 14 29.116 14.705 1.175
88 1HG ARG 14 2HG ARG 14 26.603 14.986 1.642
89 2HG ARG 14 1HG ARG 14 27.038 15.660 3.201
90 1HD ARG 14 2HD ARG 14 26.738 17.519 1.709
91 2HD ARG 14 1HD ARG 14 28.476 17.363 1.948
92 HE ARG 14 HE ARG 14 28.310 15.909 -0.251
93 1HH1 ARG 14 1HH2 ARG 14 25.412 16.921 -0.332
94 2HH1 ARG 14 2HH2 ARG 14 25.526 18.183 -1.513
95 1HH2 ARG 14 2HH1 ARG 14 29.042 18.241 -1.320
96 2HH2 ARG 14 1HH1 ARG 14 27.673 18.952 -2.095
97 H GLY 15 H GLY 15 28.860 14.688 4.669
98 1HA GLY 15 2HA GLY 15 27.593 15.070 6.676
99 2HA GLY 15 1HA GLY 15 26.458 13.828 6.159
100 H ASN 16 H ASN 16 29.864 13.359 6.241
101 HA ASN 16 HA ASN 16 31.276 11.913 7.448
102 1HB ASN 16 2HB ASN 16 30.395 13.419 9.390
103 2HB ASN 16 1HB ASN 16 29.247 12.131 9.724
104 1HD2 ASN 16 2HD2 ASN 16 31.763 9.918 10.986
105 2HD2 ASN 16 1HD2 ASN 16 30.226 9.944 10.249
106 H THR 17 H THR 17 29.796 10.687 5.685
107 HA THR 17 HA THR 17 28.450 8.367 6.926
108 HB THR 17 HB THR 17 28.642 9.089 3.950
109 HG1 THR 17 HG1 THR 17 27.165 10.547 4.432
110 1HG2 THR 17 2HG2 THR 17 26.556 7.562 5.597
111 2HG2 THR 17 1HG2 THR 17 26.524 7.863 3.870
112 3HG2 THR 17 3HG2 THR 17 27.735 6.775 4.547
113 H LEU 18 H LEU 18 29.610 6.512 7.205
114 HA LEU 18 HA LEU 18 31.979 6.022 5.431
115 1HB LEU 18 2HB LEU 18 31.579 5.431 8.383
116 2HB LEU 18 1HB LEU 18 32.733 4.542 7.423
117 HG LEU 18 HG LEU 18 33.664 6.842 6.680
118 1HD1 LEU 18 2HD1 LEU 18 32.155 7.767 9.136
119 2HD1 LEU 18 1HD1 LEU 18 33.361 8.705 8.272
120 3HD1 LEU 18 3HD1 LEU 18 31.856 8.298 7.492
121 1HD2 LEU 18 1HD2 LEU 18 34.014 5.925 9.551
122 2HD2 LEU 18 3HD2 LEU 18 34.885 5.334 8.149
123 3HD2 LEU 18 2HD2 LEU 18 35.121 6.982 8.687
124 H SER 19 H SER 19 30.726 4.971 3.965
125 HA SER 19 HA SER 19 29.372 2.437 4.684
126 1HB SER 19 2HB SER 19 28.432 4.215 3.045
127 2HB SER 19 1HB SER 19 29.691 3.713 1.913
128 HG SER 19 HG SER 19 27.360 2.502 2.500
129 H GLY 20 H GLY 20 32.336 3.505 3.177
130 1HA GLY 20 2HA GLY 20 33.369 0.755 3.238
131 2HA GLY 20 1HA GLY 20 33.287 1.522 1.662
132 H ILE 21 H ILE 21 35.667 0.751 3.554
133 HA ILE 21 HA ILE 21 36.846 3.526 3.754
134 HB ILE 21 HB ILE 21 38.039 0.904 4.688
135 1HG1 ILE 21 2HG1 ILE 21 35.960 1.219 5.983
136 2HG1 ILE 21 1HG1 ILE 21 37.317 1.571 7.021
137 1HG2 ILE 21 1HG2 ILE 21 38.812 3.745 5.385
138 2HG2 ILE 21 3HG2 ILE 21 39.482 2.300 6.123
139 3HG2 ILE 21 2HG2 ILE 21 39.728 2.603 4.417
140 1HD1 ILE 21 1HD1 ILE 21 36.986 4.020 6.626
141 2HD1 ILE 21 3HD1 ILE 21 35.595 3.648 5.620
142 3HD1 ILE 21 2HD1 ILE 21 35.572 3.253 7.326
143 H LEU 22 H LEU 22 38.586 4.115 2.358
144 HA LEU 22 HA LEU 22 38.930 2.485 0.000
145 1HB LEU 22 2HB LEU 22 40.184 4.280 -0.842
146 2HB LEU 22 1HB LEU 22 39.147 5.057 0.320
147 HG LEU 22 HG LEU 22 41.141 4.787 1.992
148 1HD1 LEU 22 2HD1 LEU 22 42.561 4.651 -0.731
149 2HD1 LEU 22 1HD1 LEU 22 43.355 4.892 0.814
150 3HD1 LEU 22 3HD1 LEU 22 42.592 3.365 0.454
151 1HD2 LEU 22 2HD2 LEU 22 40.219 6.903 1.032
152 2HD2 LEU 22 1HD2 LEU 22 41.970 7.029 1.182
153 3HD2 LEU 22 3HD2 LEU 22 41.228 6.721 -0.382
154 H TRP 23 H TRP 23 40.652 1.274 -0.665
155 HA TRP 23 HA TRP 23 42.608 0.604 1.413
156 1HB TRP 23 2HB TRP 23 40.733 -1.242 0.015
157 2HB TRP 23 1HB TRP 23 42.362 -1.847 0.215
158 HD1 TRP 23 HD1 TRP 23 39.287 -1.117 2.328
159 HE1 TRP 23 HE1 TRP 23 39.853 -1.486 4.754
160 HE3 TRP 23 HE3 TRP 23 44.192 -1.528 1.775
161 HZ2 TRP 23 HZ2 TRP 23 42.142 -1.833 6.277
162 HZ3 TRP 23 HZ3 TRP 23 45.673 -1.833 3.733
163 HH2 TRP 23 HH2 TRP 23 44.635 -2.010 6.028
164 H PHE 24 H PHE 24 44.356 0.283 1.126
165 HA PHE 24 HA PHE 24 45.651 0.740 -1.431
166 1HB PHE 24 2HB PHE 24 46.217 1.107 1.478
167 2HB PHE 24 1HB PHE 24 47.629 0.516 0.697
168 HD1 PHE 24 HD1 PHE 24 45.037 3.184 0.721
169 HD2 PHE 24 HD2 PHE 24 48.865 2.066 -0.776
170 HE1 PHE 24 HE1 PHE 24 45.401 5.478 -0.062
171 HE2 PHE 24 HE2 PHE 24 49.227 4.365 -1.562
172 HZ PHE 24 HZ PHE 24 47.493 6.078 -1.202
173 H TYR 25 H TYR 25 44.590 -1.666 -1.616
174 HA TYR 25 HA TYR 25 46.882 -3.487 -1.358
175 1HB TYR 25 2HB TYR 25 44.036 -3.880 -0.638
176 2HB TYR 25 1HB TYR 25 44.683 -5.174 -1.611
177 HD1 TYR 25 HD2 TYR 25 45.972 -3.007 1.245
178 HD2 TYR 25 HD1 TYR 25 45.584 -6.872 -0.485
179 HE1 TYR 25 HE2 TYR 25 47.193 -3.981 3.145
180 HE2 TYR 25 HE1 TYR 25 46.792 -7.847 1.414
181 HH TYR 25 HH TYR 25 47.555 -7.419 3.576
182 HA PRO 26 HA PRO 26 46.402 -3.847 -5.750
183 1HB PRO 26 2HB PRO 26 48.320 -5.676 -6.268
184 2HB PRO 26 1HB PRO 26 48.782 -4.103 -5.593
185 1HG PRO 26 2HG PRO 26 48.171 -6.696 -4.030
186 2HG PRO 26 1HG PRO 26 49.643 -5.729 -3.960
187 1HD PRO 26 2HD PRO 26 47.623 -5.241 -2.140
188 2HD PRO 26 1HD PRO 26 48.519 -3.868 -2.807
189 H SER 27 H SER 27 45.941 -6.439 -3.550
190 HA SER 27 HA SER 27 44.724 -8.228 -5.526
191 1HB SER 27 2HB SER 27 44.373 -9.469 -3.115
192 2HB SER 27 1HB SER 27 45.920 -9.516 -3.969
193 HG SER 27 HG SER 27 46.645 -8.490 -2.281
194 H GLY 28 H GLY 28 43.570 -5.566 -4.379
195 1HA GLY 28 2HA GLY 28 41.267 -4.897 -4.559
196 2HA GLY 28 1HA GLY 28 40.771 -6.568 -4.207
197 H CYS 29 H CYS 29 39.879 -6.598 -2.130
198 HA CYS 29 HA CYS 29 40.804 -4.673 -0.176
199 1HB CYS 29 2HB CYS 29 38.856 -6.911 0.364
200 2HB CYS 29 1HB CYS 29 39.010 -5.311 1.017
201 HA PRO 30 HA PRO 30 43.536 -7.510 1.830
202 1HB PRO 30 2HB PRO 30 44.058 -6.278 4.152
203 2HB PRO 30 1HB PRO 30 44.464 -5.472 2.624
204 1HG PRO 30 2HG PRO 30 41.854 -5.277 4.140
205 2HG PRO 30 1HG PRO 30 42.931 -3.947 3.840
206 1HD PRO 30 2HD PRO 30 40.909 -4.400 2.125
207 2HD PRO 30 1HD PRO 30 42.503 -4.066 1.421
208 H SER 31 H SER 31 43.834 -8.722 3.804
209 HA SER 31 HA SER 31 41.904 -10.553 4.301
210 1HB SER 31 2HB SER 31 43.976 -9.658 6.352
211 2HB SER 31 1HB SER 31 43.416 -11.309 6.034
212 HG SER 31 HG SER 31 44.911 -11.359 4.519
213 H GLY 32 H GLY 32 39.879 -10.015 4.831
214 1HA GLY 32 2HA GLY 32 38.420 -9.920 6.891
215 2HA GLY 32 1HA GLY 32 39.424 -8.596 7.446
216 H TRP 33 H TRP 33 39.069 -8.072 4.249
217 HA TRP 33 HA TRP 33 36.705 -6.318 4.670
218 1HB TRP 33 2HB TRP 33 39.096 -6.121 2.819
219 2HB TRP 33 1HB TRP 33 37.771 -4.963 2.826
220 HD1 TRP 33 HD1 TRP 33 40.477 -6.342 5.310
221 HE1 TRP 33 HE1 TRP 33 40.990 -4.582 6.999
222 HE3 TRP 33 HE3 TRP 33 37.150 -2.934 3.764
223 HZ2 TRP 33 HZ2 TRP 33 40.118 -2.034 7.607
224 HZ3 TRP 33 HZ3 TRP 33 36.986 -0.786 4.933
225 HH2 TRP 33 HH2 TRP 33 38.505 -0.332 6.872
226 H HIS 34 H HIS 34 35.290 -6.160 2.762
227 HA HIS 34 HA HIS 34 35.658 -8.458 0.884
228 1HB HIS 34 2HB HIS 34 34.375 -9.051 2.953
229 2HB HIS 34 1HB HIS 34 33.131 -7.906 2.499
230 HD1 HIS 34 HD1 HIS 34 33.225 -8.898 -0.610
231 HD2 HIS 34 HD2 HIS 34 32.723 -11.220 2.788
232 HE1 HIS 34 HE1 HIS 34 32.104 -11.045 -1.244
233 H ASN 35 H ASN 35 35.974 -5.665 0.470
234 HA ASN 35 HA ASN 35 35.632 -4.117 -1.213
235 1HB ASN 35 2HB ASN 35 35.667 -5.800 -2.849
236 2HB ASN 35 1HB ASN 35 34.129 -6.485 -2.381
237 1HD2 ASN 35 2HD2 ASN 35 32.265 -3.912 -4.122
238 2HD2 ASN 35 1HD2 ASN 35 32.208 -4.697 -2.616
239 H CYS 36 H CYS 36 34.484 -2.330 -1.540
240 HA CYS 36 HA CYS 36 31.671 -2.273 -0.588
241 1HB CYS 36 2HB CYS 36 32.132 -0.265 0.394
242 2HB CYS 36 1HB CYS 36 33.694 -0.959 0.548
243 H LYS 37 H LYS 37 34.081 -1.452 -2.999
244 HA LYS 37 HA LYS 37 31.957 -1.142 -5.037
245 1HB LYS 37 2HB LYS 37 32.768 0.940 -5.859
246 2HB LYS 37 1HB LYS 37 32.576 1.131 -4.129
247 1HG LYS 37 2HG LYS 37 35.041 0.597 -3.852
248 2HG LYS 37 1HG LYS 37 35.183 0.696 -5.593
249 1HD LYS 37 2HD LYS 37 34.193 2.949 -3.828
250 2HD LYS 37 1HD LYS 37 35.787 2.816 -4.523
251 1HE LYS 37 2HE LYS 37 34.765 2.858 -6.811
252 2HE LYS 37 1HE LYS 37 33.174 3.049 -6.084
253 1HZ LYS 37 3HZ LYS 37 34.904 4.921 -4.960
254 2HZ LYS 37 2HZ LYS 37 35.019 5.021 -6.656
255 3HZ LYS 37 1HZ LYS 37 33.503 5.166 -5.864
256 H ALA 38 H ALA 38 32.525 -1.858 -6.976
257 HA ALA 38 HA ALA 38 35.289 -2.933 -7.354
258 1HB ALA 38 2HB ALA 38 33.452 -4.675 -7.297
259 2HB ALA 38 1HB ALA 38 32.643 -3.839 -8.622
260 3HB ALA 38 3HB ALA 38 34.209 -4.586 -8.886
261 H HIS 39 H HIS 39 34.414 -0.280 -7.645
262 HA HIS 39 HA HIS 39 34.756 0.121 -10.604
263 1HB HIS 39 2HB HIS 39 33.081 1.912 -8.779
264 2HB HIS 39 1HB HIS 39 33.070 1.903 -10.535
265 HD1 HIS 39 HD1 HIS 39 32.891 -1.333 -10.511
266 HD2 HIS 39 HD2 HIS 39 30.423 1.384 -8.561
267 HE1 HIS 39 HE1 HIS 39 30.737 -2.408 -10.036
268 H GLY 40 H GLY 40 36.916 -0.093 -9.273
269 1HA GLY 40 2HA GLY 40 38.960 1.050 -8.862
270 2HA GLY 40 1HA GLY 40 38.136 2.543 -9.336
271 HA PRO 41 HA PRO 41 38.423 4.490 -8.471
272 1HB PRO 41 2HB PRO 41 39.939 6.105 -6.818
273 2HB PRO 41 1HB PRO 41 38.174 6.069 -6.762
274 1HG PRO 41 2HG PRO 41 40.111 4.434 -5.052
275 2HG PRO 41 1HG PRO 41 38.785 5.425 -4.475
276 1HD PRO 41 2HD PRO 41 38.290 2.898 -4.720
277 2HD PRO 41 1HD PRO 41 37.115 4.078 -5.334
278 H ASN 42 H ASN 42 41.035 5.614 -8.663
279 HA ASN 42 HA ASN 42 42.565 3.252 -9.458
280 1HB ASN 42 2HB ASN 42 42.140 5.158 -11.130
281 2HB ASN 42 1HB ASN 42 43.047 6.228 -10.060
282 1HD2 ASN 42 2HD2 ASN 42 46.060 5.102 -11.517
283 2HD2 ASN 42 1HD2 ASN 42 45.219 6.405 -10.825
284 H ILE 43 H ILE 43 41.981 5.048 -6.830
285 HA ILE 43 HA ILE 43 44.749 4.917 -6.163
286 HB ILE 43 HB ILE 43 42.942 6.904 -4.711
287 1HG1 ILE 43 2HG1 ILE 43 44.048 8.646 -6.385
288 2HG1 ILE 43 1HG1 ILE 43 44.264 7.267 -7.438
289 1HG2 ILE 43 3HG2 ILE 43 45.221 6.492 -3.791
290 2HG2 ILE 43 2HG2 ILE 43 45.944 6.935 -5.332
291 3HG2 ILE 43 1HG2 ILE 43 45.081 8.134 -4.381
292 1HD1 ILE 43 1HD1 ILE 43 41.595 8.215 -6.299
293 2HD1 ILE 43 3HD1 ILE 43 42.161 8.504 -7.934
294 3HD1 ILE 43 2HD1 ILE 43 41.791 6.880 -7.418
295 H GLY 44 H GLY 44 43.105 2.829 -5.725
296 1HA GLY 44 2HA GLY 44 43.486 1.293 -3.809
297 2HA GLY 44 1HA GLY 44 42.926 2.589 -2.741
298 H TRP 45 H TRP 45 41.824 0.006 -3.156
299 HA TRP 45 HA TRP 45 39.246 0.476 -4.619
300 1HB TRP 45 2HB TRP 45 39.709 -1.946 -2.869
301 2HB TRP 45 1HB TRP 45 38.708 -1.804 -4.301
302 HD1 TRP 45 HD1 TRP 45 42.483 -1.919 -3.328
303 HE1 TRP 45 HE1 TRP 45 43.761 -2.949 -5.161
304 HE3 TRP 45 HE3 TRP 45 38.729 -2.359 -6.726
305 HZ2 TRP 45 HZ2 TRP 45 43.344 -3.849 -7.708
306 HZ3 TRP 45 HZ3 TRP 45 39.269 -3.350 -8.935
307 HH2 TRP 45 HH2 TRP 45 41.582 -4.092 -9.420
308 H CYS 46 H CYS 46 37.204 1.025 -3.445
309 HA CYS 46 HA CYS 46 37.650 1.380 -0.550
310 1HB CYS 46 2HB CYS 46 35.250 1.979 -2.284
311 2HB CYS 46 1HB CYS 46 35.538 2.613 -0.688
312 H CYS 47 H CYS 47 37.148 0.010 0.749
313 HA CYS 47 HA CYS 47 35.276 -2.160 0.111
314 1HB CYS 47 2HB CYS 47 37.995 -2.220 1.380
315 2HB CYS 47 1HB CYS 47 36.948 -3.559 1.425
316 H LYS 48 H LYS 48 35.169 -3.661 2.287
317 HA LYS 48 HA LYS 48 34.918 -1.881 4.469
318 1HB LYS 48 2HB LYS 48 32.909 -1.573 2.992
319 2HB LYS 48 1HB LYS 48 32.566 -3.289 3.091
320 1HG LYS 48 2HG LYS 48 31.194 -1.944 4.613
321 2HG LYS 48 1HG LYS 48 32.212 -3.083 5.482
322 1HD LYS 48 2HD LYS 48 33.785 -1.410 6.030
323 2HD LYS 48 1HD LYS 48 33.210 -0.349 4.805
324 1HE LYS 48 2HE LYS 48 32.522 0.319 7.212
325 2HE LYS 48 1HE LYS 48 31.138 0.097 6.148
326 1HZ LYS 48 2HZ LYS 48 31.779 -2.396 7.261
327 2HZ LYS 48 1HZ LYS 48 31.752 -1.258 8.513
328 3HZ LYS 48 3HZ LYS 48 30.398 -1.449 7.501
329 H LYS 49 H LYS 49 34.589 -2.847 6.330
330 HA LYS 49 HA LYS 49 35.634 -5.630 6.494
331 1HB LYS 49 2HB LYS 49 34.900 -3.668 8.711
332 2HB LYS 49 1HB LYS 49 35.610 -5.240 8.989
333 1HG LYS 49 2HG LYS 49 37.258 -4.017 7.046
334 2HG LYS 49 1HG LYS 49 36.878 -2.725 8.160
335 1HD LYS 49 2HD LYS 49 38.905 -3.753 8.985
336 2HD LYS 49 1HD LYS 49 37.621 -4.273 10.056
337 1HE LYS 49 2HE LYS 49 37.465 -6.445 8.877
338 2HE LYS 49 1HE LYS 49 38.660 -5.919 7.701
339 1HZ LYS 49 3HZ LYS 49 39.715 -5.547 10.254
340 2HZ LYS 49 2HZ LYS 49 39.073 -7.116 10.175
341 3HZ LYS 49 1HZ LYS 49 40.238 -6.626 9.042
No H/Q in entry = 341
Start of MODEL 13
1 1H GLY 1 2H GLY 1 42.311 4.951 7.439
2 2H GLY 1 1H GLY 1 42.819 3.437 6.856
3 3H GLY 1 3H GLY 1 43.955 4.684 7.090
4 1HA GLY 1 2HA GLY 1 43.627 5.407 5.026
5 2HA GLY 1 1HA GLY 1 42.455 4.098 4.784
6 H VAL 2 H VAL 2 41.806 6.356 3.480
7 HA VAL 2 HA VAL 2 40.015 7.922 5.259
8 HB VAL 2 HB VAL 2 40.712 8.370 2.312
9 1HG1 VAL 2 1HG1 VAL 2 39.461 10.279 4.326
10 2HG1 VAL 2 3HG1 VAL 2 39.894 10.659 2.669
11 3HG1 VAL 2 2HG1 VAL 2 38.621 9.506 2.988
12 1HG2 VAL 2 1HG2 VAL 2 41.927 9.656 4.793
13 2HG2 VAL 2 3HG2 VAL 2 42.750 8.529 3.732
14 3HG2 VAL 2 2HG2 VAL 2 42.293 10.112 3.136
15 HA PRO 3 HA PRO 3 36.588 5.553 3.564
16 1HB PRO 3 2HB PRO 3 34.486 6.991 4.386
17 2HB PRO 3 1HB PRO 3 35.495 6.167 5.586
18 1HG PRO 3 2HG PRO 3 35.821 9.051 4.542
19 2HG PRO 3 1HG PRO 3 35.543 8.557 6.219
20 1HD PRO 3 2HD PRO 3 38.072 8.892 5.422
21 2HD PRO 3 1HD PRO 3 37.666 7.432 6.359
22 H CYS 4 H CYS 4 35.218 5.598 1.804
23 HA CYS 4 HA CYS 4 34.924 8.096 0.273
24 1HB CYS 4 2HB CYS 4 35.670 6.550 -1.785
25 2HB CYS 4 1HB CYS 4 36.818 7.498 -0.885
26 H LEU 5 H LEU 5 33.435 7.797 -1.556
27 HA LEU 5 HA LEU 5 31.158 6.243 -0.743
28 1HB LEU 5 2HB LEU 5 30.958 8.568 -1.629
29 2HB LEU 5 1HB LEU 5 31.648 8.069 -3.156
30 HG LEU 5 HG LEU 5 29.091 6.719 -2.185
31 1HD1 LEU 5 3HD1 LEU 5 29.280 9.375 -3.700
32 2HD1 LEU 5 2HD1 LEU 5 27.802 8.493 -3.364
33 3HD1 LEU 5 1HD1 LEU 5 28.714 9.204 -2.049
34 1HD2 LEU 5 2HD2 LEU 5 30.276 5.874 -4.307
35 2HD2 LEU 5 1HD2 LEU 5 28.693 6.521 -4.624
36 3HD2 LEU 5 3HD2 LEU 5 30.121 7.474 -4.986
37 H CYS 6 H CYS 6 30.176 4.648 -2.013
38 HA CYS 6 HA CYS 6 31.866 3.449 -4.140
39 1HB CYS 6 2HB CYS 6 30.676 1.601 -2.151
40 2HB CYS 6 1HB CYS 6 32.079 1.471 -3.141
41 H ASP 7 H ASP 7 30.334 0.973 -3.980
42 HA ASP 7 HA ASP 7 27.982 1.775 -5.629
43 1HB ASP 7 2HB ASP 7 29.810 0.293 -6.677
44 2HB ASP 7 1HB ASP 7 29.405 -0.936 -5.497
45 H SER 8 H SER 8 29.071 -0.785 -3.441
46 HA SER 8 HA SER 8 26.334 -1.187 -2.397
47 1HB SER 8 2HB SER 8 28.870 -2.611 -1.461
48 2HB SER 8 1HB SER 8 27.206 -3.220 -1.461
49 HG SER 8 HG SER 8 27.360 -3.622 -3.548
50 H ASP 9 H ASP 9 28.367 1.075 -1.943
51 HA ASP 9 HA ASP 9 29.025 1.123 0.830
52 1HB ASP 9 2HB ASP 9 30.289 2.554 -0.525
53 2HB ASP 9 1HB ASP 9 28.924 3.203 -1.394
54 H GLY 10 H GLY 10 26.877 0.332 1.523
55 1HA GLY 10 2HA GLY 10 25.382 1.486 3.256
56 2HA GLY 10 1HA GLY 10 25.018 2.626 1.982
57 HA PRO 11 HA PRO 11 22.617 -1.433 0.900
58 1HB PRO 11 2HB PRO 11 22.523 -3.481 2.619
59 2HB PRO 11 1HB PRO 11 24.018 -3.213 1.698
60 1HG PRO 11 2HG PRO 11 23.323 -2.071 4.477
61 2HG PRO 11 1HG PRO 11 24.686 -3.124 4.082
62 1HD PRO 11 2HD PRO 11 25.081 -0.471 4.036
63 2HD PRO 11 1HD PRO 11 25.749 -1.429 2.699
64 H ARG 12 H ARG 12 21.935 0.863 2.364
65 HA ARG 12 HA ARG 12 19.262 0.124 3.380
66 1HB ARG 12 2HB ARG 12 21.357 1.745 4.844
67 2HB ARG 12 1HB ARG 12 19.663 1.841 5.267
68 1HG ARG 12 2HG ARG 12 19.677 -0.695 5.551
69 2HG ARG 12 1HG ARG 12 21.419 -0.646 5.300
70 1HD ARG 12 2HD ARG 12 21.679 0.900 7.154
71 2HD ARG 12 1HD ARG 12 19.927 0.905 7.411
72 HE ARG 12 HE ARG 12 20.149 -1.190 8.517
73 1HH1 ARG 12 2HH1 ARG 12 21.357 -2.637 6.287
74 2HH1 ARG 12 1HH1 ARG 12 22.925 -3.069 6.874
75 1HH2 ARG 12 1HH2 ARG 12 22.765 -0.685 9.464
76 2HH2 ARG 12 2HH2 ARG 12 23.759 -1.904 8.752
77 HA PRO 13 HA PRO 13 18.339 3.991 1.254
78 1HB PRO 13 2HB PRO 13 16.152 4.983 2.535
79 2HB PRO 13 1HB PRO 13 16.060 3.418 1.718
80 1HG PRO 13 2HG PRO 13 16.826 3.926 4.662
81 2HG PRO 13 1HG PRO 13 15.456 2.975 4.076
82 1HD PRO 13 2HD PRO 13 17.750 1.695 4.598
83 2HD PRO 13 1HD PRO 13 16.895 1.285 3.103
84 H ARG 14 H ARG 14 17.559 6.326 2.054
85 HA ARG 14 HA ARG 14 19.379 8.088 2.399
86 1HB ARG 14 2HB ARG 14 17.870 9.419 3.980
87 2HB ARG 14 1HB ARG 14 17.140 8.813 2.510
88 1HG ARG 14 2HG ARG 14 16.238 6.836 3.838
89 2HG ARG 14 1HG ARG 14 16.869 7.581 5.294
90 1HD ARG 14 2HD ARG 14 15.427 9.554 4.946
91 2HD ARG 14 1HD ARG 14 14.864 8.898 3.412
92 HE ARG 14 HE ARG 14 13.836 7.022 4.707
93 1HH1 ARG 14 1HH2 ARG 14 15.220 7.489 7.275
94 2HH1 ARG 14 2HH2 ARG 14 14.017 8.296 8.222
95 1HH2 ARG 14 2HH1 ARG 14 12.100 9.114 5.394
96 2HH2 ARG 14 1HH1 ARG 14 12.193 9.258 7.113
97 H GLY 15 H GLY 15 21.263 8.124 3.318
98 1HA GLY 15 2HA GLY 15 22.437 8.898 5.416
99 2HA GLY 15 1HA GLY 15 21.538 7.644 6.276
100 H ASN 16 H ASN 16 21.826 6.012 3.828
101 HA ASN 16 HA ASN 16 23.949 4.309 4.550
102 1HB ASN 16 2HB ASN 16 23.180 3.068 2.552
103 2HB ASN 16 1HB ASN 16 21.794 3.768 3.339
104 1HD2 ASN 16 2HD2 ASN 16 22.290 4.645 -0.438
105 2HD2 ASN 16 1HD2 ASN 16 22.865 3.241 0.345
106 H THR 17 H THR 17 25.535 5.999 4.675
107 HA THR 17 HA THR 17 27.230 6.129 2.257
108 HB THR 17 HB THR 17 27.791 8.572 3.102
109 HG1 THR 17 HG1 THR 17 25.724 7.809 4.766
110 1HG2 THR 17 1HG2 THR 17 26.229 8.168 1.084
111 2HG2 THR 17 3HG2 THR 17 24.884 8.162 2.203
112 3HG2 THR 17 2HG2 THR 17 25.845 9.620 1.992
113 H LEU 18 H LEU 18 29.534 6.766 3.061
114 HA LEU 18 HA LEU 18 31.384 6.046 4.317
115 1HB LEU 18 2HB LEU 18 30.569 7.995 5.686
116 2HB LEU 18 1HB LEU 18 29.495 6.923 6.561
117 HG LEU 18 HG LEU 18 31.325 5.816 7.714
118 1HD1 LEU 18 1HD1 LEU 18 33.172 7.378 5.883
119 2HD1 LEU 18 3HD1 LEU 18 33.705 6.319 7.182
120 3HD1 LEU 18 2HD1 LEU 18 32.914 5.639 5.778
121 1HD2 LEU 18 1HD2 LEU 18 30.824 8.115 8.563
122 2HD2 LEU 18 3HD2 LEU 18 32.515 7.688 8.789
123 3HD2 LEU 18 2HD2 LEU 18 32.059 8.764 7.485
124 H SER 19 H SER 19 30.274 3.961 3.453
125 HA SER 19 HA SER 19 30.037 2.000 5.710
126 1HB SER 19 2HB SER 19 27.906 2.483 4.193
127 2HB SER 19 1HB SER 19 28.807 1.624 2.944
128 HG SER 19 HG SER 19 27.548 0.602 5.124
129 H GLY 20 H GLY 20 32.462 2.869 4.733
130 1HA GLY 20 2HA GLY 20 33.860 0.527 4.181
131 2HA GLY 20 1HA GLY 20 33.515 1.240 2.613
132 H ILE 21 H ILE 21 36.109 0.805 3.763
133 HA ILE 21 HA ILE 21 37.099 3.646 4.045
134 HB ILE 21 HB ILE 21 38.482 1.099 4.991
135 1HG1 ILE 21 2HG1 ILE 21 36.501 1.617 6.453
136 2HG1 ILE 21 1HG1 ILE 21 38.016 1.775 7.306
137 1HG2 ILE 21 2HG2 ILE 21 39.285 4.005 5.355
138 2HG2 ILE 21 1HG2 ILE 21 40.077 2.644 6.131
139 3HG2 ILE 21 3HG2 ILE 21 40.112 2.799 4.390
140 1HD1 ILE 21 1HD1 ILE 21 36.479 4.102 6.106
141 2HD1 ILE 21 3HD1 ILE 21 36.494 3.678 7.808
142 3HD1 ILE 21 2HD1 ILE 21 37.964 4.242 7.034
143 H LEU 22 H LEU 22 38.886 4.235 2.599
144 HA LEU 22 HA LEU 22 39.025 2.621 0.211
145 1HB LEU 22 2HB LEU 22 40.630 4.214 -0.645
146 2HB LEU 22 1HB LEU 22 39.450 5.104 0.268
147 HG LEU 22 HG LEU 22 41.077 5.047 2.226
148 1HD1 LEU 22 3HD1 LEU 22 43.081 4.442 -0.003
149 2HD1 LEU 22 2HD1 LEU 22 43.506 4.971 1.612
150 3HD1 LEU 22 1HD1 LEU 22 42.791 3.405 1.378
151 1HD2 LEU 22 1HD2 LEU 22 40.556 7.041 0.795
152 2HD2 LEU 22 3HD2 LEU 22 42.262 7.097 1.229
153 3HD2 LEU 22 2HD2 LEU 22 41.764 6.545 -0.364
154 H TRP 23 H TRP 23 40.831 1.345 -0.527
155 HA TRP 23 HA TRP 23 42.718 0.590 1.582
156 1HB TRP 23 2HB TRP 23 40.747 -1.183 0.220
157 2HB TRP 23 1HB TRP 23 42.356 -1.875 0.349
158 HD1 TRP 23 HD1 TRP 23 39.389 -0.946 2.558
159 HE1 TRP 23 HE1 TRP 23 39.991 -1.326 4.974
160 HE3 TRP 23 HE3 TRP 23 44.228 -1.757 1.901
161 HZ2 TRP 23 HZ2 TRP 23 42.236 -1.836 6.439
162 HZ3 TRP 23 HZ3 TRP 23 45.714 -2.182 3.853
163 HH2 TRP 23 HH2 TRP 23 44.704 -2.236 6.158
164 H PHE 24 H PHE 24 44.437 0.032 1.280
165 HA PHE 24 HA PHE 24 45.857 0.580 -1.186
166 1HB PHE 24 2HB PHE 24 46.405 0.498 1.776
167 2HB PHE 24 1HB PHE 24 47.788 0.064 0.853
168 HD1 PHE 24 HD1 PHE 24 45.221 2.606 -0.203
169 HD2 PHE 24 HD2 PHE 24 49.116 1.965 1.424
170 HE1 PHE 24 HE1 PHE 24 45.722 4.979 -0.454
171 HE2 PHE 24 HE2 PHE 24 49.614 4.355 1.171
172 HZ PHE 24 HZ PHE 24 47.914 5.871 0.228
173 H TYR 25 H TYR 25 44.546 -1.988 -1.232
174 HA TYR 25 HA TYR 25 46.913 -3.770 -1.215
175 1HB TYR 25 2HB TYR 25 44.071 -4.215 -0.514
176 2HB TYR 25 1HB TYR 25 44.732 -5.469 -1.542
177 HD1 TYR 25 HD1 TYR 25 46.747 -3.464 0.788
178 HD2 TYR 25 HD2 TYR 25 44.789 -7.176 0.167
179 HE1 TYR 25 HE1 TYR 25 47.891 -4.377 2.764
180 HE2 TYR 25 HE2 TYR 25 45.944 -8.109 2.127
181 HH TYR 25 HH TYR 25 48.441 -6.398 3.826
182 HA PRO 26 HA PRO 26 46.483 -2.921 -5.382
183 1HB PRO 26 2HB PRO 26 48.521 -4.515 -6.455
184 2HB PRO 26 1HB PRO 26 48.847 -3.007 -5.581
185 1HG PRO 26 2HG PRO 26 48.648 -5.842 -4.393
186 2HG PRO 26 1HG PRO 26 50.018 -4.731 -4.268
187 1HD PRO 26 2HD PRO 26 48.228 -4.745 -2.264
188 2HD PRO 26 1HD PRO 26 48.693 -3.142 -2.872
189 H SER 27 H SER 27 46.150 -5.925 -3.884
190 HA SER 27 HA SER 27 45.004 -7.338 -6.185
191 1HB SER 27 2HB SER 27 44.765 -9.083 -4.136
192 2HB SER 27 1HB SER 27 46.338 -8.802 -4.904
193 HG SER 27 HG SER 27 46.865 -8.170 -2.935
194 H GLY 28 H GLY 28 43.779 -5.082 -4.134
195 1HA GLY 28 2HA GLY 28 41.323 -4.655 -4.479
196 2HA GLY 28 1HA GLY 28 41.064 -6.358 -4.107
197 H CYS 29 H CYS 29 40.128 -6.414 -2.072
198 HA CYS 29 HA CYS 29 40.967 -4.474 -0.057
199 1HB CYS 29 2HB CYS 29 38.887 -6.624 0.279
200 2HB CYS 29 1HB CYS 29 39.063 -5.062 1.003
201 HA PRO 30 HA PRO 30 43.380 -7.562 1.994
202 1HB PRO 30 2HB PRO 30 43.851 -6.488 4.397
203 2HB PRO 30 1HB PRO 30 44.349 -5.567 2.964
204 1HG PRO 30 2HG PRO 30 41.661 -5.443 4.343
205 2HG PRO 30 1HG PRO 30 42.786 -4.118 4.230
206 1HD PRO 30 2HD PRO 30 40.870 -4.365 2.345
207 2HD PRO 30 1HD PRO 30 42.523 -4.031 1.775
208 H SER 31 H SER 31 43.434 -9.005 3.699
209 HA SER 31 HA SER 31 41.264 -10.672 3.982
210 1HB SER 31 2HB SER 31 43.631 -11.278 4.642
211 2HB SER 31 1HB SER 31 43.433 -10.297 6.104
212 HG SER 31 HG SER 31 42.306 -11.870 6.923
213 H GLY 32 H GLY 32 39.388 -10.156 4.664
214 1HA GLY 32 2HA GLY 32 37.914 -9.985 6.700
215 2HA GLY 32 1HA GLY 32 39.006 -8.735 7.290
216 H TRP 33 H TRP 33 38.866 -8.108 4.142
217 HA TRP 33 HA TRP 33 36.518 -6.327 4.363
218 1HB TRP 33 2HB TRP 33 39.104 -5.998 2.810
219 2HB TRP 33 1HB TRP 33 37.789 -4.838 2.838
220 HD1 TRP 33 HD1 TRP 33 40.186 -6.509 5.446
221 HE1 TRP 33 HE1 TRP 33 40.674 -4.861 7.253
222 HE3 TRP 33 HE3 TRP 33 37.338 -2.756 3.738
223 HZ2 TRP 33 HZ2 TRP 33 39.976 -2.250 7.879
224 HZ3 TRP 33 HZ3 TRP 33 37.266 -0.640 4.952
225 HH2 TRP 33 HH2 TRP 33 38.607 -0.375 7.049
226 H HIS 34 H HIS 34 35.315 -6.081 2.371
227 HA HIS 34 HA HIS 34 36.087 -8.023 0.239
228 1HB HIS 34 2HB HIS 34 34.581 -9.135 1.995
229 2HB HIS 34 1HB HIS 34 33.295 -8.059 1.444
230 HD1 HIS 34 HD1 HIS 34 35.627 -10.627 0.019
231 HD2 HIS 34 HD2 HIS 34 31.975 -8.817 -0.754
232 HE1 HIS 34 HE1 HIS 34 34.557 -11.762 -1.940
233 H ASN 35 H ASN 35 36.239 -5.334 0.137
234 HA ASN 35 HA ASN 35 35.837 -3.547 -1.249
235 1HB ASN 35 2HB ASN 35 36.070 -5.248 -3.015
236 2HB ASN 35 1HB ASN 35 34.351 -5.610 -2.902
237 1HD2 ASN 35 2HD2 ASN 35 35.487 -2.235 -4.802
238 2HD2 ASN 35 1HD2 ASN 35 36.673 -3.089 -3.917
239 H CYS 36 H CYS 36 34.501 -1.885 -1.847
240 HA CYS 36 HA CYS 36 31.701 -2.028 -0.852
241 1HB CYS 36 2HB CYS 36 32.068 0.175 -0.036
242 2HB CYS 36 1HB CYS 36 33.519 -0.710 0.370
243 H LYS 37 H LYS 37 33.687 -1.499 -3.572
244 HA LYS 37 HA LYS 37 31.351 -0.771 -5.210
245 1HB LYS 37 2HB LYS 37 32.873 0.864 -6.514
246 2HB LYS 37 1HB LYS 37 32.187 1.469 -5.053
247 1HG LYS 37 2HG LYS 37 34.459 0.645 -3.946
248 2HG LYS 37 1HG LYS 37 35.022 0.468 -5.594
249 1HD LYS 37 2HD LYS 37 33.986 3.063 -4.369
250 2HD LYS 37 1HD LYS 37 35.668 2.648 -4.580
251 1HE LYS 37 2HE LYS 37 35.420 2.617 -7.022
252 2HE LYS 37 1HE LYS 37 33.699 2.957 -6.870
253 1HZ LYS 37 2HZ LYS 37 35.053 4.854 -5.375
254 2HZ LYS 37 1HZ LYS 37 35.836 4.776 -6.885
255 3HZ LYS 37 3HZ LYS 37 34.155 5.072 -6.792
256 H ALA 38 H ALA 38 31.259 -1.964 -6.996
257 HA ALA 38 HA ALA 38 33.546 -3.651 -7.702
258 1HB ALA 38 2HB ALA 38 31.171 -4.532 -7.812
259 2HB ALA 38 1HB ALA 38 30.804 -3.314 -9.029
260 3HB ALA 38 3HB ALA 38 31.944 -4.596 -9.388
261 H HIS 39 H HIS 39 34.166 -1.034 -7.832
262 HA HIS 39 HA HIS 39 34.661 -0.498 -10.713
263 1HB HIS 39 2HB HIS 39 34.138 1.693 -8.595
264 2HB HIS 39 1HB HIS 39 34.092 1.894 -10.345
265 HD1 HIS 39 HD1 HIS 39 32.225 -0.760 -10.538
266 HD2 HIS 39 HD2 HIS 39 31.641 2.654 -8.243
267 HE1 HIS 39 HE1 HIS 39 29.837 -0.580 -9.970
268 H GLY 40 H GLY 40 35.970 1.805 -8.613
269 1HA GLY 40 2HA GLY 40 38.394 0.132 -8.069
270 2HA GLY 40 1HA GLY 40 38.539 1.747 -8.721
271 HA PRO 41 HA PRO 41 38.514 3.905 -8.204
272 1HB PRO 41 2HB PRO 41 40.134 5.684 -6.894
273 2HB PRO 41 1HB PRO 41 38.384 5.699 -6.711
274 1HG PRO 41 2HG PRO 41 40.430 4.300 -4.916
275 2HG PRO 41 1HG PRO 41 39.133 5.378 -4.432
276 1HD PRO 41 2HD PRO 41 38.672 2.792 -4.283
277 2HD PRO 41 1HD PRO 41 37.409 3.879 -4.872
278 H ASN 42 H ASN 42 41.087 5.062 -8.540
279 HA ASN 42 HA ASN 42 42.628 2.709 -9.336
280 1HB ASN 42 2HB ASN 42 41.956 4.730 -10.915
281 2HB ASN 42 1HB ASN 42 43.151 5.650 -10.022
282 1HD2 ASN 42 1HD2 ASN 42 45.220 3.467 -9.864
283 2HD2 ASN 42 2HD2 ASN 42 45.715 3.258 -11.473
284 H ILE 43 H ILE 43 42.244 4.985 -7.023
285 HA ILE 43 HA ILE 43 44.977 4.794 -6.319
286 HB ILE 43 HB ILE 43 44.434 6.814 -4.694
287 1HG1 ILE 43 2HG1 ILE 43 41.869 6.870 -6.359
288 2HG1 ILE 43 1HG1 ILE 43 41.931 6.285 -4.701
289 1HG2 ILE 43 1HG2 ILE 43 45.544 7.106 -6.911
290 2HG2 ILE 43 3HG2 ILE 43 43.980 7.140 -7.702
291 3HG2 ILE 43 2HG2 ILE 43 44.447 8.430 -6.608
292 1HD1 ILE 43 2HD1 ILE 43 42.754 8.518 -3.969
293 2HD1 ILE 43 1HD1 ILE 43 42.657 9.107 -5.618
294 3HD1 ILE 43 3HD1 ILE 43 41.197 8.634 -4.768
295 H GLY 44 H GLY 44 43.239 2.778 -5.783
296 1HA GLY 44 2HA GLY 44 43.821 1.229 -3.877
297 2HA GLY 44 1HA GLY 44 43.156 2.516 -2.834
298 H TRP 45 H TRP 45 41.973 0.193 -2.899
299 HA TRP 45 HA TRP 45 39.532 0.431 -4.673
300 1HB TRP 45 2HB TRP 45 40.119 -1.870 -2.772
301 2HB TRP 45 1HB TRP 45 39.031 -1.877 -4.140
302 HD1 TRP 45 HD1 TRP 45 42.802 -1.992 -3.321
303 HE1 TRP 45 HE1 TRP 45 44.057 -2.972 -5.192
304 HE3 TRP 45 HE3 TRP 45 38.998 -2.213 -6.652
305 HZ2 TRP 45 HZ2 TRP 45 43.563 -3.745 -7.810
306 HZ3 TRP 45 HZ3 TRP 45 39.461 -3.116 -8.905
307 HH2 TRP 45 HH2 TRP 45 41.742 -3.881 -9.482
308 H CYS 46 H CYS 46 37.396 1.032 -3.520
309 HA CYS 46 HA CYS 46 37.896 1.577 -0.657
310 1HB CYS 46 2HB CYS 46 35.582 2.153 -2.509
311 2HB CYS 46 1HB CYS 46 35.646 2.685 -0.857
312 H CYS 47 H CYS 47 37.307 0.272 0.752
313 HA CYS 47 HA CYS 47 35.480 -1.945 0.038
314 1HB CYS 47 2HB CYS 47 38.103 -1.991 1.469
315 2HB CYS 47 1HB CYS 47 37.077 -3.358 1.376
316 H LYS 48 H LYS 48 35.389 -3.249 2.334
317 HA LYS 48 HA LYS 48 34.979 -1.321 4.437
318 1HB LYS 48 2HB LYS 48 32.738 -1.607 4.797
319 2HB LYS 48 1HB LYS 48 32.851 -1.426 3.065
320 1HG LYS 48 2HG LYS 48 32.536 -4.019 4.609
321 2HG LYS 48 1HG LYS 48 31.402 -3.183 3.585
322 1HD LYS 48 2HD LYS 48 33.193 -3.286 1.777
323 2HD LYS 48 1HD LYS 48 34.062 -4.379 2.765
324 1HE LYS 48 2HE LYS 48 31.297 -5.222 2.076
325 2HE LYS 48 1HE LYS 48 32.743 -5.801 1.262
326 1HZ LYS 48 3HZ LYS 48 33.161 -5.863 4.038
327 2HZ LYS 48 2HZ LYS 48 31.693 -6.642 3.689
328 3HZ LYS 48 1HZ LYS 48 33.141 -7.163 2.968
329 H LYS 49 H LYS 49 34.099 -2.506 6.327
330 HA LYS 49 HA LYS 49 35.642 -5.075 6.613
331 1HB LYS 49 2HB LYS 49 34.435 -3.199 8.702
332 2HB LYS 49 1HB LYS 49 35.205 -4.721 9.103
333 1HG LYS 49 2HG LYS 49 37.172 -3.703 7.570
334 2HG LYS 49 1HG LYS 49 36.396 -2.182 7.959
335 1HD LYS 49 2HD LYS 49 38.134 -2.531 9.602
336 2HD LYS 49 1HD LYS 49 36.608 -2.805 10.424
337 1HE LYS 49 2HE LYS 49 36.883 -5.275 10.152
338 2HE LYS 49 1HE LYS 49 38.366 -5.013 9.245
339 1HZ LYS 49 1HZ LYS 49 38.566 -3.624 11.650
340 2HZ LYS 49 3HZ LYS 49 38.009 -5.184 12.006
341 3HZ LYS 49 2HZ LYS 49 39.453 -4.976 11.137
No H/Q in entry = 341
Start of MODEL 14
1 1H GLY 1 3H GLY 1 43.665 5.326 7.854
2 2H GLY 1 2H GLY 1 42.005 5.517 8.169
3 3H GLY 1 1H GLY 1 42.641 3.969 7.868
4 1HA GLY 1 2HA GLY 1 43.302 5.629 5.701
5 2HA GLY 1 1HA GLY 1 42.230 4.222 5.707
6 H VAL 2 H VAL 2 41.557 6.297 4.039
7 HA VAL 2 HA VAL 2 39.511 7.868 5.503
8 HB VAL 2 HB VAL 2 40.399 8.122 2.587
9 1HG1 VAL 2 3HG1 VAL 2 38.190 9.165 3.093
10 2HG1 VAL 2 2HG1 VAL 2 38.918 10.104 4.382
11 3HG1 VAL 2 1HG1 VAL 2 39.392 10.373 2.715
12 1HG2 VAL 2 2HG2 VAL 2 41.351 9.711 5.030
13 2HG2 VAL 2 1HG2 VAL 2 42.324 8.561 4.134
14 3HG2 VAL 2 3HG2 VAL 2 41.800 10.042 3.364
15 HA PRO 3 HA PRO 3 36.390 5.235 3.553
16 1HB PRO 3 2HB PRO 3 34.170 6.595 4.188
17 2HB PRO 3 1HB PRO 3 35.069 5.732 5.445
18 1HG PRO 3 2HG PRO 3 35.397 8.679 4.582
19 2HG PRO 3 1HG PRO 3 35.017 8.087 6.207
20 1HD PRO 3 2HD PRO 3 37.571 8.581 5.575
21 2HD PRO 3 1HD PRO 3 37.220 7.092 6.476
22 H CYS 4 H CYS 4 34.727 5.485 1.910
23 HA CYS 4 HA CYS 4 34.823 7.944 0.295
24 1HB CYS 4 2HB CYS 4 35.210 5.985 -1.661
25 2HB CYS 4 1HB CYS 4 36.437 7.086 -1.097
26 H LEU 5 H LEU 5 33.464 7.077 -1.883
27 HA LEU 5 HA LEU 5 30.922 6.052 -0.713
28 1HB LEU 5 2HB LEU 5 30.709 8.309 -1.695
29 2HB LEU 5 1HB LEU 5 31.553 7.817 -3.150
30 HG LEU 5 HG LEU 5 28.981 6.344 -2.477
31 1HD1 LEU 5 3HD1 LEU 5 29.116 9.132 -3.743
32 2HD1 LEU 5 2HD1 LEU 5 27.681 8.125 -3.618
33 3HD1 LEU 5 1HD1 LEU 5 28.427 8.766 -2.171
34 1HD2 LEU 5 1HD2 LEU 5 30.398 5.727 -4.511
35 2HD2 LEU 5 3HD2 LEU 5 28.806 6.299 -4.936
36 3HD2 LEU 5 2HD2 LEU 5 30.190 7.369 -5.097
37 H CYS 6 H CYS 6 29.962 4.238 -1.886
38 HA CYS 6 HA CYS 6 31.845 2.997 -3.801
39 1HB CYS 6 2HB CYS 6 30.185 1.217 -2.014
40 2HB CYS 6 1HB CYS 6 31.691 0.974 -2.822
41 H ASP 7 H ASP 7 30.708 0.887 -4.551
42 HA ASP 7 HA ASP 7 28.832 1.774 -6.570
43 1HB ASP 7 2HB ASP 7 30.301 -0.101 -7.113
44 2HB ASP 7 1HB ASP 7 29.817 -0.980 -5.682
45 H SER 8 H SER 8 28.312 -0.913 -4.369
46 HA SER 8 HA SER 8 25.436 -0.264 -4.237
47 1HB SER 8 2HB SER 8 27.057 -2.541 -2.963
48 2HB SER 8 1HB SER 8 25.289 -2.448 -3.051
49 HG SER 8 HG SER 8 27.038 -3.097 -5.059
50 H ASP 9 H ASP 9 26.795 1.790 -3.263
51 HA ASP 9 HA ASP 9 26.867 1.517 -0.315
52 1HB ASP 9 2HB ASP 9 28.884 2.412 -1.142
53 2HB ASP 9 1HB ASP 9 28.137 3.545 -2.219
54 H GLY 10 H GLY 10 25.414 2.226 0.817
55 1HA GLY 10 2HA GLY 10 23.328 4.181 -0.065
56 2HA GLY 10 1HA GLY 10 23.036 2.911 1.110
57 HA PRO 11 HA PRO 11 24.557 5.800 4.278
58 1HB PRO 11 2HB PRO 11 26.117 4.453 5.982
59 2HB PRO 11 1HB PRO 11 24.479 3.835 5.725
60 1HG PRO 11 2HG PRO 11 27.064 2.974 4.320
61 2HG PRO 11 1HG PRO 11 25.871 1.936 5.104
62 1HD PRO 11 2HD PRO 11 25.826 2.428 2.429
63 2HD PRO 11 1HD PRO 11 24.275 2.237 3.274
64 H ARG 12 H ARG 12 25.353 6.593 2.384
65 HA ARG 12 HA ARG 12 28.237 6.505 1.791
66 1HB ARG 12 2HB ARG 12 26.606 8.627 0.518
67 2HB ARG 12 1HB ARG 12 27.859 7.614 -0.155
68 1HG ARG 12 2HG ARG 12 26.132 5.669 0.018
69 2HG ARG 12 1HG ARG 12 25.007 6.956 0.391
70 1HD ARG 12 2HD ARG 12 25.753 8.135 -1.695
71 2HD ARG 12 1HD ARG 12 26.727 6.700 -2.051
72 HE ARG 12 HE ARG 12 24.773 5.476 -2.556
73 1HH1 ARG 12 2HH1 ARG 12 24.263 8.670 -2.991
74 2HH1 ARG 12 1HH1 ARG 12 22.544 8.692 -2.782
75 1HH2 ARG 12 1HH2 ARG 12 22.524 5.365 -1.619
76 2HH2 ARG 12 2HH2 ARG 12 21.525 6.726 -1.990
77 HA PRO 13 HA PRO 13 29.525 10.095 4.059
78 1HB PRO 13 2HB PRO 13 31.458 11.185 2.435
79 2HB PRO 13 1HB PRO 13 31.728 9.650 3.280
80 1HG PRO 13 2HG PRO 13 30.546 10.043 0.461
81 2HG PRO 13 1HG PRO 13 31.987 9.104 0.885
82 1HD PRO 13 2HD PRO 13 29.700 7.784 0.709
83 2HD PRO 13 1HD PRO 13 30.643 7.491 2.178
84 H ARG 14 H ARG 14 28.833 12.057 4.284
85 HA ARG 14 HA ARG 14 28.047 14.177 3.959
86 1HB ARG 14 2HB ARG 14 27.462 13.506 1.027
87 2HB ARG 14 1HB ARG 14 27.517 15.035 1.866
88 1HG ARG 14 2HG ARG 14 29.841 15.124 2.066
89 2HG ARG 14 1HG ARG 14 30.063 13.426 1.728
90 1HD ARG 14 2HD ARG 14 29.035 15.453 -0.306
91 2HD ARG 14 1HD ARG 14 30.661 14.767 -0.269
92 HE ARG 14 HE ARG 14 28.982 12.548 -0.272
93 1HH1 ARG 14 2HH1 ARG 14 26.950 13.654 -1.798
94 2HH1 ARG 14 1HH1 ARG 14 27.486 13.641 -3.442
95 1HH2 ARG 14 1HH2 ARG 14 30.849 13.265 -2.501
96 2HH2 ARG 14 2HH2 ARG 14 29.789 13.405 -3.857
97 H GLY 15 H GLY 15 26.225 14.116 5.081
98 1HA GLY 15 2HA GLY 15 23.825 14.146 5.207
99 2HA GLY 15 1HA GLY 15 23.748 13.125 3.776
100 H ASN 16 H ASN 16 25.961 11.457 5.237
101 HA ASN 16 HA ASN 16 24.305 10.266 7.375
102 1HB ASN 16 2HB ASN 16 23.518 9.285 5.163
103 2HB ASN 16 1HB ASN 16 25.106 8.582 4.934
104 1HD2 ASN 16 2HD2 ASN 16 22.470 6.816 7.459
105 2HD2 ASN 16 1HD2 ASN 16 22.052 8.217 6.593
106 H THR 17 H THR 17 26.316 7.878 6.283
107 HA THR 17 HA THR 17 28.592 8.654 8.057
108 HB THR 17 HB THR 17 27.444 5.799 7.915
109 HG1 THR 17 HG1 THR 17 25.736 6.971 8.507
110 1HG2 THR 17 2HG2 THR 17 29.626 6.336 9.310
111 2HG2 THR 17 1HG2 THR 17 28.632 7.452 10.226
112 3HG2 THR 17 3HG2 THR 17 28.273 5.738 10.252
113 H LEU 18 H LEU 18 29.629 5.994 7.458
114 HA LEU 18 HA LEU 18 30.497 6.214 4.617
115 1HB LEU 18 2HB LEU 18 32.782 5.427 5.451
116 2HB LEU 18 1HB LEU 18 32.395 7.101 5.776
117 HG LEU 18 HG LEU 18 31.582 5.112 7.860
118 1HD1 LEU 18 1HD1 LEU 18 33.888 4.313 7.233
119 2HD1 LEU 18 3HD1 LEU 18 34.510 5.939 7.467
120 3HD1 LEU 18 2HD1 LEU 18 33.885 5.035 8.830
121 1HD2 LEU 18 2HD2 LEU 18 31.292 7.623 8.142
122 2HD2 LEU 18 1HD2 LEU 18 32.363 6.975 9.369
123 3HD2 LEU 18 3HD2 LEU 18 33.019 7.829 7.986
124 H SER 19 H SER 19 30.552 4.340 3.591
125 HA SER 19 HA SER 19 29.457 1.990 5.001
126 1HB SER 19 2HB SER 19 28.498 2.722 2.808
127 2HB SER 19 1HB SER 19 30.041 2.406 2.016
128 HG SER 19 HG SER 19 29.683 0.219 3.256
129 H GLY 20 H GLY 20 32.533 3.103 4.078
130 1HA GLY 20 2HA GLY 20 33.819 0.756 5.133
131 2HA GLY 20 1HA GLY 20 33.841 0.702 3.368
132 H ILE 21 H ILE 21 36.182 0.742 3.633
133 HA ILE 21 HA ILE 21 37.217 3.536 3.843
134 HB ILE 21 HB ILE 21 38.594 1.043 4.910
135 1HG1 ILE 21 2HG1 ILE 21 36.753 1.831 6.440
136 2HG1 ILE 21 1HG1 ILE 21 38.330 1.972 7.178
137 1HG2 ILE 21 1HG2 ILE 21 39.569 3.911 4.913
138 2HG2 ILE 21 3HG2 ILE 21 40.326 2.596 5.798
139 3HG2 ILE 21 2HG2 ILE 21 40.274 2.560 4.048
140 1HD1 ILE 21 1HD1 ILE 21 36.809 4.262 5.876
141 2HD1 ILE 21 3HD1 ILE 21 36.966 3.992 7.599
142 3HD1 ILE 21 2HD1 ILE 21 38.379 4.413 6.655
143 H LEU 22 H LEU 22 38.881 3.990 2.420
144 HA LEU 22 HA LEU 22 38.891 2.451 -0.020
145 1HB LEU 22 2HB LEU 22 40.249 4.244 -0.909
146 2HB LEU 22 1HB LEU 22 39.207 5.004 0.263
147 HG LEU 22 HG LEU 22 41.172 4.607 1.944
148 1HD1 LEU 22 3HD1 LEU 22 42.646 3.291 0.347
149 2HD1 LEU 22 2HD1 LEU 22 42.657 4.657 -0.746
150 3HD1 LEU 22 1HD1 LEU 22 43.410 4.777 0.830
151 1HD2 LEU 22 2HD2 LEU 22 40.278 6.783 1.148
152 2HD2 LEU 22 1HD2 LEU 22 42.029 6.880 1.293
153 3HD2 LEU 22 3HD2 LEU 22 41.275 6.702 -0.288
154 H TRP 23 H TRP 23 40.543 1.097 -0.836
155 HA TRP 23 HA TRP 23 42.663 0.499 1.101
156 1HB TRP 23 2HB TRP 23 40.710 -1.399 -0.140
157 2HB TRP 23 1HB TRP 23 42.335 -1.986 0.088
158 HD1 TRP 23 HD1 TRP 23 39.300 -1.152 2.263
159 HE1 TRP 23 HE1 TRP 23 39.929 -1.248 4.688
160 HE3 TRP 23 HE3 TRP 23 44.176 -1.488 1.599
161 HZ2 TRP 23 HZ2 TRP 23 42.323 -1.382 6.177
162 HZ3 TRP 23 HZ3 TRP 23 45.731 -1.537 3.503
163 HH2 TRP 23 HH2 TRP 23 44.781 -1.507 5.846
164 H PHE 24 H PHE 24 44.370 0.202 0.729
165 HA PHE 24 HA PHE 24 45.656 0.566 -1.864
166 1HB PHE 24 2HB PHE 24 46.236 0.993 1.021
167 2HB PHE 24 1HB PHE 24 47.632 0.439 0.184
168 HD1 PHE 24 HD1 PHE 24 44.758 2.811 -0.391
169 HD2 PHE 24 HD2 PHE 24 48.970 2.238 -0.662
170 HE1 PHE 24 HE1 PHE 24 45.014 5.107 -1.197
171 HE2 PHE 24 HE2 PHE 24 49.229 4.547 -1.469
172 HZ PHE 24 HZ PHE 24 47.248 5.985 -1.737
173 H TYR 25 H TYR 25 44.508 -1.828 -1.960
174 HA TYR 25 HA TYR 25 46.752 -3.661 -1.573
175 1HB TYR 25 2HB TYR 25 43.923 -3.902 -0.723
176 2HB TYR 25 1HB TYR 25 44.488 -5.316 -1.587
177 HD1 TYR 25 HD2 TYR 25 45.770 -2.921 1.048
178 HD2 TYR 25 HD1 TYR 25 45.583 -6.921 -0.369
179 HE1 TYR 25 HE2 TYR 25 47.028 -3.664 3.008
180 HE2 TYR 25 HE1 TYR 25 46.844 -7.675 1.599
181 HH TYR 25 HH TYR 25 48.364 -5.502 3.800
182 HA PRO 26 HA PRO 26 46.487 -4.413 -5.880
183 1HB PRO 26 2HB PRO 26 47.949 -6.725 -6.018
184 2HB PRO 26 1HB PRO 26 48.731 -5.203 -5.565
185 1HG PRO 26 2HG PRO 26 47.545 -7.334 -3.689
186 2HG PRO 26 1HG PRO 26 49.172 -6.651 -3.658
187 1HD PRO 26 2HD PRO 26 47.241 -5.602 -2.065
188 2HD PRO 26 1HD PRO 26 48.316 -4.438 -2.850
189 H SER 27 H SER 27 45.474 -6.624 -3.476
190 HA SER 27 HA SER 27 43.777 -8.202 -5.273
191 1HB SER 27 2HB SER 27 43.284 -9.289 -2.880
192 2HB SER 27 1HB SER 27 44.936 -9.471 -3.512
193 HG SER 27 HG SER 27 43.943 -7.772 -1.526
194 H GLY 28 H GLY 28 43.363 -5.302 -4.708
195 1HA GLY 28 2HA GLY 28 41.360 -4.035 -4.666
196 2HA GLY 28 1HA GLY 28 40.466 -5.482 -4.232
197 H CYS 29 H CYS 29 40.608 -6.287 -2.150
198 HA CYS 29 HA CYS 29 41.050 -4.274 -0.077
199 1HB CYS 29 2HB CYS 29 39.660 -6.927 0.202
200 2HB CYS 29 1HB CYS 29 39.511 -5.504 1.142
201 HA PRO 30 HA PRO 30 43.667 -7.346 2.071
202 1HB PRO 30 2HB PRO 30 44.023 -6.209 4.418
203 2HB PRO 30 1HB PRO 30 44.531 -5.295 2.984
204 1HG PRO 30 2HG PRO 30 41.857 -5.170 4.357
205 2HG PRO 30 1HG PRO 30 42.923 -3.830 4.143
206 1HD PRO 30 2HD PRO 30 40.912 -4.427 2.352
207 2HD PRO 30 1HD PRO 30 42.422 -3.721 1.771
208 H SER 31 H SER 31 43.504 -8.683 4.011
209 HA SER 31 HA SER 31 41.081 -10.084 4.079
210 1HB SER 31 2HB SER 31 43.384 -11.054 4.723
211 2HB SER 31 1HB SER 31 43.246 -10.163 6.252
212 HG SER 31 HG SER 31 42.096 -12.470 5.639
213 H GLY 32 H GLY 32 39.605 -10.138 5.386
214 1HA GLY 32 2HA GLY 32 38.197 -9.666 7.336
215 2HA GLY 32 1HA GLY 32 39.308 -8.377 7.784
216 H TRP 33 H TRP 33 38.813 -8.018 4.598
217 HA TRP 33 HA TRP 33 36.592 -6.122 4.970
218 1HB TRP 33 2HB TRP 33 38.916 -6.151 2.992
219 2HB TRP 33 1HB TRP 33 37.686 -4.928 2.982
220 HD1 TRP 33 HD1 TRP 33 40.397 -6.285 5.436
221 HE1 TRP 33 HE1 TRP 33 41.021 -4.476 7.044
222 HE3 TRP 33 HE3 TRP 33 37.152 -2.861 3.833
223 HZ2 TRP 33 HZ2 TRP 33 40.226 -1.864 7.568
224 HZ3 TRP 33 HZ3 TRP 33 37.078 -0.661 4.891
225 HH2 TRP 33 HH2 TRP 33 38.643 -0.149 6.801
226 H HIS 34 H HIS 34 35.327 -5.884 2.898
227 HA HIS 34 HA HIS 34 35.328 -8.416 1.314
228 1HB HIS 34 2HB HIS 34 33.933 -8.660 3.316
229 2HB HIS 34 1HB HIS 34 33.000 -7.244 2.883
230 HD1 HIS 34 HD1 HIS 34 31.772 -7.690 0.339
231 HD2 HIS 34 HD2 HIS 34 32.822 -10.954 2.686
232 HE1 HIS 34 HE1 HIS 34 30.444 -9.699 -0.403
233 H ASN 35 H ASN 35 36.064 -5.746 0.623
234 HA ASN 35 HA ASN 35 35.890 -4.260 -1.168
235 1HB ASN 35 2HB ASN 35 35.959 -6.372 -2.453
236 2HB ASN 35 1HB ASN 35 34.204 -6.503 -2.332
237 1HD2 ASN 35 2HD2 ASN 35 35.561 -3.487 -4.696
238 2HD2 ASN 35 1HD2 ASN 35 36.520 -3.850 -3.340
239 H CYS 36 H CYS 36 34.701 -2.461 -1.786
240 HA CYS 36 HA CYS 36 31.817 -2.421 -1.053
241 1HB CYS 36 2HB CYS 36 32.189 -0.511 0.075
242 2HB CYS 36 1HB CYS 36 33.791 -1.108 0.226
243 H LYS 37 H LYS 37 34.298 -1.203 -3.210
244 HA LYS 37 HA LYS 37 32.192 -0.841 -5.304
245 1HB LYS 37 2HB LYS 37 33.146 1.432 -4.363
246 2HB LYS 37 1HB LYS 37 34.660 0.973 -5.114
247 1HG LYS 37 2HG LYS 37 33.367 0.625 -7.309
248 2HG LYS 37 1HG LYS 37 31.964 1.278 -6.524
249 1HD LYS 37 2HD LYS 37 34.558 2.823 -6.840
250 2HD LYS 37 1HD LYS 37 33.221 2.932 -7.963
251 1HE LYS 37 2HE LYS 37 31.740 3.644 -6.029
252 2HE LYS 37 1HE LYS 37 33.228 3.742 -5.080
253 1HZ LYS 37 1HZ LYS 37 33.712 5.033 -7.465
254 2HZ LYS 37 3HZ LYS 37 32.220 5.621 -6.910
255 3HZ LYS 37 2HZ LYS 37 33.590 5.700 -5.905
256 H ALA 38 H ALA 38 32.782 -1.690 -7.203
257 HA ALA 38 HA ALA 38 35.485 -2.943 -7.478
258 1HB ALA 38 3HB ALA 38 33.592 -4.642 -7.231
259 2HB ALA 38 2HB ALA 38 32.790 -3.913 -8.621
260 3HB ALA 38 1HB ALA 38 34.334 -4.721 -8.824
261 H HIS 39 H HIS 39 34.704 -0.300 -7.973
262 HA HIS 39 HA HIS 39 35.144 -0.137 -10.918
263 1HB HIS 39 2HB HIS 39 33.183 1.758 -9.548
264 2HB HIS 39 1HB HIS 39 33.304 1.414 -11.250
265 HD1 HIS 39 HD1 HIS 39 33.058 -1.735 -10.831
266 HD2 HIS 39 HD2 HIS 39 30.661 1.202 -9.129
267 HE1 HIS 39 HE1 HIS 39 30.912 -2.733 -10.194
268 H GLY 40 H GLY 40 37.192 0.052 -9.303
269 1HA GLY 40 2HA GLY 40 39.038 1.559 -9.064
270 2HA GLY 40 1HA GLY 40 37.948 2.903 -9.419
271 HA PRO 41 HA PRO 41 38.715 4.761 -8.413
272 1HB PRO 41 2HB PRO 41 40.357 6.108 -6.668
273 2HB PRO 41 1HB PRO 41 38.599 6.197 -6.539
274 1HG PRO 41 2HG PRO 41 40.456 4.220 -5.117
275 2HG PRO 41 1HG PRO 41 39.303 5.293 -4.343
276 1HD PRO 41 2HD PRO 41 38.494 2.851 -4.814
277 2HD PRO 41 1HD PRO 41 37.403 4.172 -5.248
278 H ASN 42 H ASN 42 41.310 5.727 -8.585
279 HA ASN 42 HA ASN 42 42.785 3.370 -9.524
280 1HB ASN 42 2HB ASN 42 43.371 6.371 -9.885
281 2HB ASN 42 1HB ASN 42 44.216 5.067 -10.683
282 1HD2 ASN 42 2HD2 ASN 42 41.663 4.679 -13.154
283 2HD2 ASN 42 1HD2 ASN 42 42.990 3.890 -12.445
284 H ILE 43 H ILE 43 42.296 5.295 -6.943
285 HA ILE 43 HA ILE 43 45.015 5.018 -6.172
286 HB ILE 43 HB ILE 43 42.979 6.792 -4.715
287 1HG1 ILE 43 2HG1 ILE 43 42.996 7.512 -7.101
288 2HG1 ILE 43 1HG1 ILE 43 43.734 8.721 -6.093
289 1HG2 ILE 43 2HG2 ILE 43 46.030 7.013 -4.860
290 2HG2 ILE 43 1HG2 ILE 43 44.966 8.130 -4.021
291 3HG2 ILE 43 3HG2 ILE 43 45.094 6.471 -3.485
292 1HD1 ILE 43 1HD1 ILE 43 45.290 6.686 -7.763
293 2HD1 ILE 43 3HD1 ILE 43 45.052 8.374 -8.164
294 3HD1 ILE 43 2HD1 ILE 43 46.010 7.939 -6.770
295 H GLY 44 H GLY 44 43.284 2.918 -6.034
296 1HA GLY 44 2HA GLY 44 43.694 1.136 -4.353
297 2HA GLY 44 1HA GLY 44 43.037 2.290 -3.163
298 H TRP 45 H TRP 45 41.682 0.292 -3.287
299 HA TRP 45 HA TRP 45 39.266 0.770 -5.067
300 1HB TRP 45 2HB TRP 45 39.626 -1.873 -3.669
301 2HB TRP 45 1HB TRP 45 38.832 -1.536 -5.196
302 HD1 TRP 45 HD1 TRP 45 42.464 -1.578 -3.779
303 HE1 TRP 45 HE1 TRP 45 44.020 -2.528 -5.446
304 HE3 TRP 45 HE3 TRP 45 39.150 -2.174 -7.573
305 HZ2 TRP 45 HZ2 TRP 45 43.917 -3.429 -8.031
306 HZ3 TRP 45 HZ3 TRP 45 39.980 -3.128 -9.704
307 HH2 TRP 45 HH2 TRP 45 42.363 -3.755 -9.935
308 H CYS 46 H CYS 46 37.195 1.054 -3.739
309 HA CYS 46 HA CYS 46 37.825 1.251 -0.874
310 1HB CYS 46 2HB CYS 46 35.409 2.021 -2.566
311 2HB CYS 46 1HB CYS 46 35.546 2.339 -0.847
312 H CYS 47 H CYS 47 37.251 0.002 0.548
313 HA CYS 47 HA CYS 47 35.419 -2.234 -0.006
314 1HB CYS 47 2HB CYS 47 38.116 -2.214 1.246
315 2HB CYS 47 1HB CYS 47 37.107 -3.555 1.430
316 H LYS 48 H LYS 48 35.134 -3.501 2.233
317 HA LYS 48 HA LYS 48 35.073 -1.550 4.351
318 1HB LYS 48 2HB LYS 48 32.866 -1.477 4.781
319 2HB LYS 48 1HB LYS 48 32.960 -1.265 3.050
320 1HG LYS 48 2HG LYS 48 32.143 -3.732 4.574
321 2HG LYS 48 1HG LYS 48 31.210 -2.686 3.543
322 1HD LYS 48 2HD LYS 48 33.003 -3.222 1.771
323 2HD LYS 48 1HD LYS 48 33.511 -4.492 2.821
324 1HE LYS 48 2HE LYS 48 30.725 -4.322 1.557
325 2HE LYS 48 1HE LYS 48 31.908 -5.588 1.285
326 1HZ LYS 48 3HZ LYS 48 31.429 -5.439 4.025
327 2HZ LYS 48 2HZ LYS 48 29.937 -5.479 3.209
328 3HZ LYS 48 1HZ LYS 48 31.074 -6.715 2.957
329 H LYS 49 H LYS 49 34.052 -2.414 6.224
330 HA LYS 49 HA LYS 49 35.261 -5.026 6.909
331 1HB LYS 49 2HB LYS 49 34.109 -2.703 8.458
332 2HB LYS 49 1HB LYS 49 34.062 -4.257 9.253
333 1HG LYS 49 2HG LYS 49 36.629 -3.115 8.068
334 2HG LYS 49 1HG LYS 49 36.143 -2.828 9.730
335 1HD LYS 49 2HD LYS 49 35.996 -5.341 10.066
336 2HD LYS 49 1HD LYS 49 36.631 -5.560 8.453
337 1HE LYS 49 2HE LYS 49 38.101 -4.124 10.697
338 2HE LYS 49 1HE LYS 49 38.394 -5.779 10.193
339 1HZ LYS 49 2HZ LYS 49 38.497 -4.140 7.933
340 2HZ LYS 49 1HZ LYS 49 39.469 -3.445 9.146
341 3HZ LYS 49 3HZ LYS 49 39.732 -5.056 8.639
No H/Q in entry = 341
Start of MODEL 15
1 1H GLY 1 2H GLY 1 41.900 4.874 7.547
2 2H GLY 1 1H GLY 1 42.509 3.379 7.011
3 3H GLY 1 3H GLY 1 43.571 4.681 7.292
4 1HA GLY 1 2HA GLY 1 43.331 5.353 5.205
5 2HA GLY 1 1HA GLY 1 42.230 3.999 4.913
6 H VAL 2 H VAL 2 41.536 6.129 3.518
7 HA VAL 2 HA VAL 2 39.665 7.773 5.113
8 HB VAL 2 HB VAL 2 40.250 7.986 2.135
9 1HG1 VAL 2 2HG1 VAL 2 39.239 10.079 4.091
10 2HG1 VAL 2 1HG1 VAL 2 39.574 10.341 2.390
11 3HG1 VAL 2 3HG1 VAL 2 38.281 9.262 2.862
12 1HG2 VAL 2 1HG2 VAL 2 41.733 9.362 4.409
13 2HG2 VAL 2 3HG2 VAL 2 42.416 8.153 3.337
14 3HG2 VAL 2 2HG2 VAL 2 41.959 9.720 2.705
15 HA PRO 3 HA PRO 3 36.277 5.357 3.401
16 1HB PRO 3 2HB PRO 3 34.179 6.588 4.423
17 2HB PRO 3 1HB PRO 3 35.360 5.821 5.512
18 1HG PRO 3 2HG PRO 3 35.358 8.756 4.568
19 2HG PRO 3 1HG PRO 3 35.269 8.181 6.236
20 1HD PRO 3 2HD PRO 3 37.678 8.770 5.125
21 2HD PRO 3 1HD PRO 3 37.541 7.370 6.204
22 H CYS 4 H CYS 4 35.203 5.336 1.549
23 HA CYS 4 HA CYS 4 34.759 7.937 0.129
24 1HB CYS 4 2HB CYS 4 34.898 5.783 -1.760
25 2HB CYS 4 1HB CYS 4 35.986 7.137 -1.576
26 H LEU 5 H LEU 5 33.232 7.385 -1.825
27 HA LEU 5 HA LEU 5 30.700 6.401 -0.647
28 1HB LEU 5 2HB LEU 5 31.049 8.772 -1.654
29 2HB LEU 5 1HB LEU 5 31.147 7.998 -3.220
30 HG LEU 5 HG LEU 5 28.708 7.631 -1.401
31 1HD1 LEU 5 3HD1 LEU 5 29.175 9.755 -3.549
32 2HD1 LEU 5 2HD1 LEU 5 27.659 9.467 -2.711
33 3HD1 LEU 5 1HD1 LEU 5 29.050 10.061 -1.824
34 1HD2 LEU 5 2HD2 LEU 5 29.075 7.413 -4.436
35 2HD2 LEU 5 1HD2 LEU 5 28.957 6.039 -3.362
36 3HD2 LEU 5 3HD2 LEU 5 27.585 7.102 -3.561
37 H CYS 6 H CYS 6 30.326 4.266 -1.137
38 HA CYS 6 HA CYS 6 31.647 3.111 -3.435
39 1HB CYS 6 2HB CYS 6 29.990 1.492 -1.476
40 2HB CYS 6 1HB CYS 6 31.372 1.058 -2.406
41 H ASP 7 H ASP 7 30.371 1.005 -4.001
42 HA ASP 7 HA ASP 7 28.619 1.843 -6.092
43 1HB ASP 7 2HB ASP 7 30.053 -0.106 -6.413
44 2HB ASP 7 1HB ASP 7 29.429 -0.900 -4.993
45 H SER 8 H SER 8 27.602 -0.768 -3.925
46 HA SER 8 HA SER 8 24.859 -0.303 -4.179
47 1HB SER 8 2HB SER 8 26.146 -1.463 -1.668
48 2HB SER 8 1HB SER 8 24.694 -2.018 -2.527
49 HG SER 8 HG SER 8 26.039 -3.223 -3.655
50 H ASP 9 H ASP 9 27.174 1.265 -2.405
51 HA ASP 9 HA ASP 9 26.056 2.355 -0.144
52 1HB ASP 9 2HB ASP 9 28.462 2.691 -0.943
53 2HB ASP 9 1HB ASP 9 27.868 3.784 -2.127
54 H GLY 10 H GLY 10 26.065 4.122 -3.236
55 1HA GLY 10 2HA GLY 10 24.639 5.892 -3.936
56 2HA GLY 10 1HA GLY 10 23.370 4.931 -3.156
57 HA PRO 11 HA PRO 11 23.722 8.430 -0.226
58 1HB PRO 11 2HB PRO 11 21.184 9.214 -0.023
59 2HB PRO 11 1HB PRO 11 22.022 9.528 -1.560
60 1HG PRO 11 2HG PRO 11 20.298 7.067 -0.848
61 2HG PRO 11 1HG PRO 11 20.069 8.164 -2.209
62 1HD PRO 11 2HD PRO 11 21.527 5.861 -2.499
63 2HD PRO 11 1HD PRO 11 21.973 7.332 -3.387
64 H ARG 12 H ARG 12 23.337 5.430 0.061
65 HA ARG 12 HA ARG 12 22.262 5.510 2.861
66 1HB ARG 12 2HB ARG 12 21.658 3.438 0.767
67 2HB ARG 12 1HB ARG 12 21.248 3.288 2.469
68 1HG ARG 12 2HG ARG 12 20.009 5.514 2.280
69 2HG ARG 12 1HG ARG 12 20.297 5.461 0.548
70 1HD ARG 12 2HD ARG 12 19.117 3.294 0.410
71 2HD ARG 12 1HD ARG 12 18.797 3.372 2.146
72 HE ARG 12 HE ARG 12 17.423 4.909 0.070
73 1HH1 ARG 12 1HH2 ARG 12 18.148 7.121 1.654
74 2HH1 ARG 12 2HH2 ARG 12 17.018 7.157 2.961
75 1HH2 ARG 12 2HH1 ARG 12 16.091 3.801 2.455
76 2HH2 ARG 12 1HH1 ARG 12 15.826 5.192 3.444
77 HA PRO 13 HA PRO 13 26.382 3.400 3.228
78 1HB PRO 13 2HB PRO 13 27.333 4.863 5.318
79 2HB PRO 13 1HB PRO 13 27.425 5.516 3.668
80 1HG PRO 13 2HG PRO 13 25.131 5.900 5.687
81 2HG PRO 13 1HG PRO 13 26.101 7.182 4.951
82 1HD PRO 13 2HD PRO 13 23.816 6.550 3.759
83 2HD PRO 13 1HD PRO 13 25.236 6.674 2.706
84 H ARG 14 H ARG 14 26.729 1.736 4.764
85 HA ARG 14 HA ARG 14 24.479 1.332 6.676
86 1HB ARG 14 2HB ARG 14 26.473 -0.610 5.414
87 2HB ARG 14 1HB ARG 14 25.325 -1.091 6.654
88 1HG ARG 14 2HG ARG 14 23.449 -0.235 5.194
89 2HG ARG 14 1HG ARG 14 24.620 0.114 3.938
90 1HD ARG 14 2HD ARG 14 24.257 -2.677 5.109
91 2HD ARG 14 1HD ARG 14 23.382 -2.105 3.695
92 HE ARG 14 HE ARG 14 26.240 -1.729 3.384
93 1HH1 ARG 14 2HH1 ARG 14 23.826 -2.843 1.670
94 2HH1 ARG 14 1HH1 ARG 14 24.455 -4.396 1.240
95 1HH2 ARG 14 1HH2 ARG 14 27.030 -4.199 3.621
96 2HH2 ARG 14 2HH2 ARG 14 26.346 -5.185 2.380
97 H GLY 15 H GLY 15 24.894 2.163 8.504
98 1HA GLY 15 2HA GLY 15 26.024 1.420 10.717
99 2HA GLY 15 1HA GLY 15 27.535 1.710 9.852
100 H ASN 16 H ASN 16 24.635 3.583 9.581
101 HA ASN 16 HA ASN 16 24.003 5.744 10.205
102 1HB ASN 16 2HB ASN 16 26.626 5.928 11.820
103 2HB ASN 16 1HB ASN 16 25.261 7.018 11.895
104 1HD2 ASN 16 2HD2 ASN 16 25.076 3.495 13.870
105 2HD2 ASN 16 1HD2 ASN 16 26.375 3.813 12.810
106 H THR 17 H THR 17 27.482 5.383 9.568
107 HA THR 17 HA THR 17 27.251 7.181 7.264
108 HB THR 17 HB THR 17 27.741 8.755 9.171
109 HG1 THR 17 HG1 THR 17 29.127 9.689 7.877
110 1HG2 THR 17 3HG2 THR 17 30.314 7.109 9.462
111 2HG2 THR 17 2HG2 THR 17 29.925 8.564 10.365
112 3HG2 THR 17 1HG2 THR 17 29.019 7.089 10.646
113 H LEU 18 H LEU 18 29.736 7.340 6.526
114 HA LEU 18 HA LEU 18 31.527 6.178 5.484
115 1HB LEU 18 2HB LEU 18 31.262 4.874 8.177
116 2HB LEU 18 1HB LEU 18 32.008 3.862 6.974
117 HG LEU 18 HG LEU 18 33.586 5.727 6.439
118 1HD1 LEU 18 2HD1 LEU 18 32.250 7.662 7.287
119 2HD1 LEU 18 1HD1 LEU 18 32.404 7.056 8.923
120 3HD1 LEU 18 3HD1 LEU 18 33.822 7.614 8.053
121 1HD2 LEU 18 3HD2 LEU 18 34.229 3.898 7.972
122 2HD2 LEU 18 2HD2 LEU 18 34.994 5.401 8.464
123 3HD2 LEU 18 1HD2 LEU 18 33.601 4.791 9.338
124 H SER 19 H SER 19 31.696 4.785 3.803
125 HA SER 19 HA SER 19 29.667 2.569 3.714
126 1HB SER 19 2HB SER 19 28.935 4.525 2.361
127 2HB SER 19 1HB SER 19 30.396 4.366 1.370
128 HG SER 19 HG SER 19 29.700 2.029 1.245
129 H GLY 20 H GLY 20 32.910 3.427 3.368
130 1HA GLY 20 2HA GLY 20 33.751 0.770 2.944
131 2HA GLY 20 1HA GLY 20 33.686 1.551 1.374
132 H ILE 21 H ILE 21 35.923 0.773 3.541
133 HA ILE 21 HA ILE 21 37.191 3.521 3.559
134 HB ILE 21 HB ILE 21 38.341 0.916 4.639
135 1HG1 ILE 21 2HG1 ILE 21 36.256 1.444 5.933
136 2HG1 ILE 21 1HG1 ILE 21 37.660 1.722 6.936
137 1HG2 ILE 21 2HG2 ILE 21 39.168 3.790 5.126
138 2HG2 ILE 21 1HG2 ILE 21 39.836 2.395 5.959
139 3HG2 ILE 21 3HG2 ILE 21 40.044 2.565 4.229
140 1HD1 ILE 21 2HD1 ILE 21 37.540 4.168 6.438
141 2HD1 ILE 21 1HD1 ILE 21 36.128 3.859 5.438
142 3HD1 ILE 21 3HD1 ILE 21 36.070 3.562 7.163
143 H LEU 22 H LEU 22 38.718 4.052 2.059
144 HA LEU 22 HA LEU 22 39.179 2.324 -0.193
145 1HB LEU 22 2HB LEU 22 40.652 4.036 -1.002
146 2HB LEU 22 1HB LEU 22 39.344 4.843 -0.197
147 HG LEU 22 HG LEU 22 40.924 4.947 1.889
148 1HD1 LEU 22 3HD1 LEU 22 42.961 4.507 -0.355
149 2HD1 LEU 22 2HD1 LEU 22 43.354 5.027 1.274
150 3HD1 LEU 22 1HD1 LEU 22 42.745 3.422 0.997
151 1HD2 LEU 22 3HD2 LEU 22 40.248 6.884 0.439
152 2HD2 LEU 22 2HD2 LEU 22 41.914 7.075 0.973
153 3HD2 LEU 22 1HD2 LEU 22 41.560 6.518 -0.656
154 H TRP 23 H TRP 23 40.929 1.155 -0.764
155 HA TRP 23 HA TRP 23 42.806 0.563 1.408
156 1HB TRP 23 2HB TRP 23 40.935 -1.298 0.014
157 2HB TRP 23 1HB TRP 23 42.554 -1.935 0.267
158 HD1 TRP 23 HD1 TRP 23 39.413 -1.208 2.250
159 HE1 TRP 23 HE1 TRP 23 39.888 -1.426 4.698
160 HE3 TRP 23 HE3 TRP 23 44.335 -1.428 1.882
161 HZ2 TRP 23 HZ2 TRP 23 42.191 -1.612 6.333
162 HZ3 TRP 23 HZ3 TRP 23 45.772 -1.570 3.864
163 HH2 TRP 23 HH2 TRP 23 44.680 -1.689 6.149
164 H PHE 24 H PHE 24 44.594 0.219 1.127
165 HA PHE 24 HA PHE 24 45.855 0.731 -1.432
166 1HB PHE 24 2HB PHE 24 46.436 1.054 1.481
167 2HB PHE 24 1HB PHE 24 47.848 0.488 0.687
168 HD1 PHE 24 HD1 PHE 24 45.211 3.120 0.742
169 HD2 PHE 24 HD2 PHE 24 49.061 2.086 -0.769
170 HE1 PHE 24 HE1 PHE 24 45.537 5.426 -0.019
171 HE2 PHE 24 HE2 PHE 24 49.382 4.393 -1.529
172 HZ PHE 24 HZ PHE 24 47.618 6.073 -1.155
173 H TYR 25 H TYR 25 44.774 -1.726 -1.603
174 HA TYR 25 HA TYR 25 47.071 -3.511 -1.365
175 1HB TYR 25 2HB TYR 25 44.187 -4.004 -0.775
176 2HB TYR 25 1HB TYR 25 44.907 -5.244 -1.762
177 HD1 TYR 25 HD1 TYR 25 46.965 -3.363 0.592
178 HD2 TYR 25 HD2 TYR 25 44.713 -6.902 -0.003
179 HE1 TYR 25 HE1 TYR 25 48.025 -4.353 2.584
180 HE2 TYR 25 HE2 TYR 25 45.779 -7.910 1.973
181 HH TYR 25 HH TYR 25 47.326 -6.220 4.275
182 HA PRO 26 HA PRO 26 46.851 -3.899 -5.589
183 1HB PRO 26 2HB PRO 26 48.691 -5.895 -6.011
184 2HB PRO 26 1HB PRO 26 49.201 -4.357 -5.288
185 1HG PRO 26 2HG PRO 26 48.314 -6.912 -3.801
186 2HG PRO 26 1HG PRO 26 49.817 -6.015 -3.595
187 1HD PRO 26 2HD PRO 26 47.649 -5.440 -1.973
188 2HD PRO 26 1HD PRO 26 48.690 -4.114 -2.516
189 H SER 27 H SER 27 46.291 -6.610 -3.506
190 HA SER 27 HA SER 27 44.880 -8.207 -5.509
191 1HB SER 27 2HB SER 27 44.738 -9.745 -3.387
192 2HB SER 27 1HB SER 27 46.361 -9.419 -4.016
193 HG SER 27 HG SER 27 45.196 -8.615 -1.706
194 H GLY 28 H GLY 28 43.695 -5.734 -4.958
195 1HA GLY 28 2HA GLY 28 41.453 -4.949 -4.661
196 2HA GLY 28 1HA GLY 28 40.987 -6.615 -4.335
197 H CYS 29 H CYS 29 39.919 -6.442 -2.287
198 HA CYS 29 HA CYS 29 40.849 -4.586 -0.329
199 1HB CYS 29 2HB CYS 29 39.111 -6.994 0.238
200 2HB CYS 29 1HB CYS 29 39.178 -5.439 0.997
201 HA PRO 30 HA PRO 30 43.491 -7.389 1.960
202 1HB PRO 30 2HB PRO 30 43.822 -6.099 4.275
203 2HB PRO 30 1HB PRO 30 44.363 -5.274 2.797
204 1HG PRO 30 2HG PRO 30 41.609 -5.148 4.053
205 2HG PRO 30 1HG PRO 30 42.696 -3.805 3.884
206 1HD PRO 30 2HD PRO 30 40.812 -4.314 1.996
207 2HD PRO 30 1HD PRO 30 42.430 -3.886 1.422
208 H SER 31 H SER 31 43.446 -8.757 3.752
209 HA SER 31 HA SER 31 41.173 -10.255 4.080
210 1HB SER 31 2HB SER 31 43.459 -11.080 4.761
211 2HB SER 31 1HB SER 31 43.441 -9.942 6.123
212 HG SER 31 HG SER 31 42.192 -11.315 7.139
213 H GLY 32 H GLY 32 39.584 -10.185 5.249
214 1HA GLY 32 2HA GLY 32 38.147 -9.694 7.186
215 2HA GLY 32 1HA GLY 32 39.246 -8.388 7.614
216 H TRP 33 H TRP 33 38.864 -8.017 4.433
217 HA TRP 33 HA TRP 33 36.550 -6.179 4.714
218 1HB TRP 33 2HB TRP 33 38.973 -6.106 2.885
219 2HB TRP 33 1HB TRP 33 37.708 -4.917 2.845
220 HD1 TRP 33 HD1 TRP 33 40.335 -6.287 5.378
221 HE1 TRP 33 HE1 TRP 33 40.896 -4.506 7.027
222 HE3 TRP 33 HE3 TRP 33 37.108 -2.839 3.747
223 HZ2 TRP 33 HZ2 TRP 33 40.090 -1.928 7.575
224 HZ3 TRP 33 HZ3 TRP 33 37.005 -0.663 4.849
225 HH2 TRP 33 HH2 TRP 33 38.536 -0.194 6.800
226 H HIS 34 H HIS 34 35.207 -6.110 2.792
227 HA HIS 34 HA HIS 34 35.570 -8.453 0.984
228 1HB HIS 34 2HB HIS 34 34.221 -9.001 3.051
229 2HB HIS 34 1HB HIS 34 32.999 -7.872 2.490
230 HD1 HIS 34 HD1 HIS 34 32.085 -8.493 -0.001
231 HD2 HIS 34 HD2 HIS 34 34.016 -11.483 2.117
232 HE1 HIS 34 HE1 HIS 34 31.463 -10.746 -0.996
233 H ASN 35 H ASN 35 36.014 -5.812 0.390
234 HA ASN 35 HA ASN 35 35.679 -4.284 -1.304
235 1HB ASN 35 2HB ASN 35 35.405 -6.537 -2.461
236 2HB ASN 35 1HB ASN 35 33.679 -6.275 -2.379
237 1HD2 ASN 35 2HD2 ASN 35 33.990 -3.546 -4.797
238 2HD2 ASN 35 1HD2 ASN 35 33.157 -3.791 -3.326
239 H CYS 36 H CYS 36 34.545 -2.398 -1.643
240 HA CYS 36 HA CYS 36 31.771 -2.273 -0.554
241 1HB CYS 36 2HB CYS 36 32.294 -0.316 0.412
242 2HB CYS 36 1HB CYS 36 33.896 -0.892 0.434
243 H LYS 37 H LYS 37 34.072 -1.260 -3.016
244 HA LYS 37 HA LYS 37 31.803 -0.987 -4.926
245 1HB LYS 37 2HB LYS 37 32.691 1.055 -5.815
246 2HB LYS 37 1HB LYS 37 32.516 1.301 -4.090
247 1HG LYS 37 2HG LYS 37 34.962 0.682 -3.806
248 2HG LYS 37 1HG LYS 37 35.102 0.647 -5.546
249 1HD LYS 37 2HD LYS 37 34.306 3.082 -3.931
250 2HD LYS 37 1HD LYS 37 35.849 2.808 -4.716
251 1HE LYS 37 2HE LYS 37 34.564 2.589 -6.913
252 2HE LYS 37 1HE LYS 37 33.135 3.143 -6.052
253 1HZ LYS 37 3HZ LYS 37 35.262 4.858 -5.476
254 2HZ LYS 37 2HZ LYS 37 35.128 4.662 -7.165
255 3HZ LYS 37 1HZ LYS 37 33.778 5.172 -6.246
256 H ALA 38 H ALA 38 32.389 -1.481 -6.995
257 HA ALA 38 HA ALA 38 35.093 -2.736 -7.368
258 1HB ALA 38 1HB ALA 38 32.406 -3.584 -8.603
259 2HB ALA 38 3HB ALA 38 33.949 -4.368 -8.878
260 3HB ALA 38 2HB ALA 38 33.202 -4.447 -7.290
261 H HIS 39 H HIS 39 34.285 -0.070 -7.603
262 HA HIS 39 HA HIS 39 34.541 0.365 -10.568
263 1HB HIS 39 2HB HIS 39 33.029 2.200 -8.653
264 2HB HIS 39 1HB HIS 39 32.937 2.205 -10.405
265 HD1 HIS 39 HD1 HIS 39 32.628 -1.024 -10.385
266 HD2 HIS 39 HD2 HIS 39 30.386 1.791 -8.305
267 HE1 HIS 39 HE1 HIS 39 30.443 -2.003 -9.808
268 H GLY 40 H GLY 40 36.762 0.061 -9.254
269 1HA GLY 40 2HA GLY 40 38.853 1.194 -8.936
270 2HA GLY 40 1HA GLY 40 38.017 2.696 -9.392
271 HA PRO 41 HA PRO 41 38.584 4.610 -8.495
272 1HB PRO 41 2HB PRO 41 40.190 6.100 -6.849
273 2HB PRO 41 1HB PRO 41 38.432 6.126 -6.659
274 1HG PRO 41 2HG PRO 41 40.384 4.205 -5.283
275 2HG PRO 41 1HG PRO 41 39.282 5.294 -4.436
276 1HD PRO 41 2HD PRO 41 38.400 2.899 -4.778
277 2HD PRO 41 1HD PRO 41 37.333 4.217 -5.280
278 H ASN 42 H ASN 42 41.200 5.508 -8.755
279 HA ASN 42 HA ASN 42 42.618 3.036 -9.449
280 1HB ASN 42 2HB ASN 42 43.171 5.978 -10.176
281 2HB ASN 42 1HB ASN 42 44.032 4.586 -10.818
282 1HD2 ASN 42 2HD2 ASN 42 41.454 3.843 -13.150
283 2HD2 ASN 42 1HD2 ASN 42 42.927 3.305 -12.488
284 H ILE 43 H ILE 43 42.105 5.001 -6.935
285 HA ILE 43 HA ILE 43 44.847 4.836 -6.201
286 HB ILE 43 HB ILE 43 42.936 6.877 -4.947
287 1HG1 ILE 43 2HG1 ILE 43 44.787 7.339 -7.365
288 2HG1 ILE 43 1HG1 ILE 43 43.059 7.156 -7.515
289 1HG2 ILE 43 3HG2 ILE 43 45.161 6.505 -3.799
290 2HG2 ILE 43 2HG2 ILE 43 45.992 6.904 -5.293
291 3HG2 ILE 43 1HG2 ILE 43 45.050 8.120 -4.447
292 1HD1 ILE 43 1HD1 ILE 43 42.688 9.153 -6.075
293 2HD1 ILE 43 3HD1 ILE 43 44.424 9.393 -5.960
294 3HD1 ILE 43 2HD1 ILE 43 43.624 9.540 -7.507
295 H GLY 44 H GLY 44 43.147 2.797 -5.704
296 1HA GLY 44 2HA GLY 44 43.526 1.301 -3.725
297 2HA GLY 44 1HA GLY 44 43.030 2.622 -2.685
298 H TRP 45 H TRP 45 42.018 -0.074 -3.188
299 HA TRP 45 HA TRP 45 39.360 0.283 -4.437
300 1HB TRP 45 2HB TRP 45 39.990 -2.029 -2.585
301 2HB TRP 45 1HB TRP 45 38.887 -1.994 -3.945
302 HD1 TRP 45 HD1 TRP 45 42.684 -1.923 -3.205
303 HE1 TRP 45 HE1 TRP 45 43.927 -2.892 -5.096
304 HE3 TRP 45 HE3 TRP 45 38.782 -2.562 -6.378
305 HZ2 TRP 45 HZ2 TRP 45 43.404 -3.821 -7.638
306 HZ3 TRP 45 HZ3 TRP 45 39.237 -3.530 -8.613
307 HH2 TRP 45 HH2 TRP 45 41.544 -4.161 -9.239
308 H CYS 46 H CYS 46 37.435 1.004 -3.374
309 HA CYS 46 HA CYS 46 37.704 1.381 -0.440
310 1HB CYS 46 2HB CYS 46 35.393 1.991 -2.308
311 2HB CYS 46 1HB CYS 46 35.598 2.589 -0.686
312 H CYS 47 H CYS 47 37.273 -0.041 0.743
313 HA CYS 47 HA CYS 47 35.336 -2.158 0.054
314 1HB CYS 47 2HB CYS 47 38.077 -2.247 1.267
315 2HB CYS 47 1HB CYS 47 37.025 -3.569 1.425
316 H LYS 48 H LYS 48 35.088 -3.624 2.193
317 HA LYS 48 HA LYS 48 35.025 -1.835 4.386
318 1HB LYS 48 2HB LYS 48 33.025 -1.364 2.900
319 2HB LYS 48 1HB LYS 48 32.509 -3.027 3.104
320 1HG LYS 48 2HG LYS 48 31.348 -1.403 4.562
321 2HG LYS 48 1HG LYS 48 32.195 -2.658 5.466
322 1HD LYS 48 2HD LYS 48 34.027 -1.204 5.932
323 2HD LYS 48 1HD LYS 48 33.564 -0.091 4.703
324 1HE LYS 48 2HE LYS 48 33.082 0.687 7.112
325 2HE LYS 48 1HE LYS 48 31.632 0.645 6.119
326 1HZ LYS 48 2HZ LYS 48 31.946 -1.895 7.253
327 2HZ LYS 48 1HZ LYS 48 32.164 -0.745 8.481
328 3HZ LYS 48 3HZ LYS 48 30.756 -0.728 7.540
329 H LYS 49 H LYS 49 34.574 -2.759 6.248
330 HA LYS 49 HA LYS 49 35.520 -5.543 6.470
331 1HB LYS 49 2HB LYS 49 34.631 -3.640 8.677
332 2HB LYS 49 1HB LYS 49 35.542 -5.129 8.894
333 1HG LYS 49 2HG LYS 49 37.353 -4.200 7.426
334 2HG LYS 49 1HG LYS 49 36.451 -2.703 7.279
335 1HD LYS 49 2HD LYS 49 38.105 -2.316 8.967
336 2HD LYS 49 1HD LYS 49 36.569 -2.463 9.791
337 1HE LYS 49 2HE LYS 49 37.070 -4.757 10.461
338 2HE LYS 49 1HE LYS 49 38.521 -4.778 9.464
339 1HZ LYS 49 3HZ LYS 49 38.640 -2.550 11.136
340 2HZ LYS 49 2HZ LYS 49 38.222 -3.888 12.091
341 3HZ LYS 49 1HZ LYS 49 39.629 -3.930 11.147
No H/Q in entry = 341
Start of MODEL 16
1 1H GLY 1 3H GLY 1 43.033 6.054 7.019
2 2H GLY 1 2H GLY 1 43.389 4.470 7.501
3 3H GLY 1 1H GLY 1 44.268 5.187 6.234
4 1HA GLY 1 2HA GLY 1 42.807 4.407 4.755
5 2HA GLY 1 1HA GLY 1 41.887 3.704 6.089
6 H VAL 2 H VAL 2 41.554 5.778 3.562
7 HA VAL 2 HA VAL 2 39.749 7.643 4.982
8 HB VAL 2 HB VAL 2 40.566 7.602 2.051
9 1HG1 VAL 2 1HG1 VAL 2 38.490 8.907 2.485
10 2HG1 VAL 2 3HG1 VAL 2 39.324 9.836 3.722
11 3HG1 VAL 2 2HG1 VAL 2 39.815 9.961 2.042
12 1HG2 VAL 2 1HG2 VAL 2 41.717 9.213 4.380
13 2HG2 VAL 2 3HG2 VAL 2 42.551 7.918 3.542
14 3HG2 VAL 2 2HG2 VAL 2 42.177 9.403 2.694
15 HA PRO 3 HA PRO 3 36.224 5.329 3.382
16 1HB PRO 3 2HB PRO 3 34.262 6.689 4.386
17 2HB PRO 3 1HB PRO 3 35.357 5.815 5.472
18 1HG PRO 3 2HG PRO 3 35.573 8.761 4.555
19 2HG PRO 3 1HG PRO 3 35.451 8.218 6.229
20 1HD PRO 3 2HD PRO 3 37.847 8.618 5.192
21 2HD PRO 3 1HD PRO 3 37.622 7.176 6.184
22 H CYS 4 H CYS 4 35.342 5.311 1.503
23 HA CYS 4 HA CYS 4 34.755 7.888 0.141
24 1HB CYS 4 2HB CYS 4 35.235 6.207 -1.934
25 2HB CYS 4 1HB CYS 4 36.473 7.171 -1.177
26 H LEU 5 H LEU 5 33.350 7.343 -1.861
27 HA LEU 5 HA LEU 5 30.875 6.149 -0.801
28 1HB LEU 5 2HB LEU 5 30.970 8.460 -2.052
29 2HB LEU 5 1HB LEU 5 31.286 7.541 -3.502
30 HG LEU 5 HG LEU 5 29.058 6.199 -2.754
31 1HD1 LEU 5 1HD1 LEU 5 28.824 7.476 -0.584
32 2HD1 LEU 5 3HD1 LEU 5 28.642 8.951 -1.500
33 3HD1 LEU 5 2HD1 LEU 5 27.429 7.687 -1.622
34 1HD2 LEU 5 2HD2 LEU 5 29.294 7.444 -4.866
35 2HD2 LEU 5 1HD2 LEU 5 27.718 7.699 -4.154
36 3HD2 LEU 5 3HD2 LEU 5 28.941 8.953 -4.037
37 H CYS 6 H CYS 6 29.922 4.378 -1.879
38 HA CYS 6 HA CYS 6 31.693 2.978 -3.789
39 1HB CYS 6 2HB CYS 6 29.872 1.408 -1.963
40 2HB CYS 6 1HB CYS 6 31.279 0.960 -2.833
41 H ASP 7 H ASP 7 30.284 0.964 -4.533
42 HA ASP 7 HA ASP 7 28.242 2.133 -6.343
43 1HB ASP 7 2HB ASP 7 29.872 0.590 -7.306
44 2HB ASP 7 1HB ASP 7 29.446 -0.667 -6.166
45 H SER 8 H SER 8 28.530 -0.507 -4.106
46 HA SER 8 HA SER 8 25.790 -1.264 -3.931
47 1HB SER 8 2HB SER 8 27.734 -1.686 -1.639
48 2HB SER 8 1HB SER 8 26.667 -2.872 -2.416
49 HG SER 8 HG SER 8 29.228 -2.253 -3.057
50 H ASP 9 H ASP 9 27.866 0.938 -2.436
51 HA ASP 9 HA ASP 9 26.610 1.765 -0.073
52 1HB ASP 9 2HB ASP 9 28.857 2.591 -0.903
53 2HB ASP 9 1HB ASP 9 28.053 3.469 -2.164
54 H GLY 10 H GLY 10 26.375 3.544 -3.080
55 1HA GLY 10 2HA GLY 10 24.642 4.710 -4.090
56 2HA GLY 10 1HA GLY 10 23.539 3.615 -3.257
57 HA PRO 11 HA PRO 11 23.304 7.824 -1.222
58 1HB PRO 11 2HB PRO 11 21.410 9.167 -2.552
59 2HB PRO 11 1HB PRO 11 23.014 9.053 -3.295
60 1HG PRO 11 2HG PRO 11 20.612 7.169 -3.709
61 2HG PRO 11 1HG PRO 11 21.477 8.074 -4.951
62 1HD PRO 11 2HD PRO 11 22.219 5.508 -4.423
63 2HD PRO 11 1HD PRO 11 23.472 6.725 -4.733
64 H ARG 12 H ARG 12 22.336 5.257 -0.679
65 HA ARG 12 HA ARG 12 19.457 5.496 -0.113
66 1HB ARG 12 2HB ARG 12 21.469 3.282 0.107
67 2HB ARG 12 1HB ARG 12 19.924 3.135 0.914
68 1HG ARG 12 2HG ARG 12 19.690 2.143 -1.259
69 2HG ARG 12 1HG ARG 12 18.761 3.615 -1.252
70 1HD ARG 12 2HD ARG 12 20.494 4.799 -2.536
71 2HD ARG 12 1HD ARG 12 21.564 3.406 -2.426
72 HE ARG 12 HE ARG 12 20.354 2.418 -4.181
73 1HH1 ARG 12 2HH1 ARG 12 17.849 1.847 -3.851
74 2HH1 ARG 12 1HH1 ARG 12 16.850 3.090 -4.518
75 1HH2 ARG 12 1HH2 ARG 12 19.481 5.435 -4.451
76 2HH2 ARG 12 2HH2 ARG 12 17.819 5.212 -4.865
77 HA PRO 13 HA PRO 13 19.881 6.488 4.218
78 1HB PRO 13 2HB PRO 13 17.610 5.538 5.273
79 2HB PRO 13 1HB PRO 13 17.583 6.795 4.021
80 1HG PRO 13 2HG PRO 13 17.445 3.744 3.596
81 2HG PRO 13 1HG PRO 13 16.205 4.917 3.135
82 1HD PRO 13 2HD PRO 13 18.046 4.219 1.330
83 2HD PRO 13 1HD PRO 13 17.623 5.936 1.460
84 H ARG 14 H ARG 14 21.652 4.797 3.761
85 HA ARG 14 HA ARG 14 21.987 3.246 6.123
86 1HB ARG 14 2HB ARG 14 22.208 0.994 4.854
87 2HB ARG 14 1HB ARG 14 20.592 1.525 5.231
88 1HG ARG 14 2HG ARG 14 20.198 2.318 2.977
89 2HG ARG 14 1HG ARG 14 21.870 2.115 2.509
90 1HD ARG 14 2HD ARG 14 20.286 -0.286 3.469
91 2HD ARG 14 1HD ARG 14 20.103 0.292 1.822
92 HE ARG 14 HE ARG 14 22.075 -0.880 1.396
93 1HH1 ARG 14 2HH1 ARG 14 23.691 1.322 2.546
94 2HH1 ARG 14 1HH1 ARG 14 24.691 0.502 3.678
95 1HH2 ARG 14 1HH2 ARG 14 22.598 -2.337 3.722
96 2HH2 ARG 14 2HH2 ARG 14 24.035 -1.646 4.394
97 H GLY 15 H GLY 15 24.064 3.558 6.503
98 1HA GLY 15 2HA GLY 15 26.392 3.856 6.162
99 2HA GLY 15 1HA GLY 15 26.201 2.641 4.896
100 H ASN 16 H ASN 16 24.514 5.621 4.917
101 HA ASN 16 HA ASN 16 25.217 6.355 2.239
102 1HB ASN 16 2HB ASN 16 23.215 7.173 3.791
103 2HB ASN 16 1HB ASN 16 24.352 8.397 4.337
104 1HD2 ASN 16 2HD2 ASN 16 22.925 8.619 0.545
105 2HD2 ASN 16 1HD2 ASN 16 22.809 7.119 1.353
106 H THR 17 H THR 17 26.456 7.449 5.335
107 HA THR 17 HA THR 17 28.712 8.859 3.978
108 HB THR 17 HB THR 17 27.520 10.338 5.633
109 HG1 THR 17 HG1 THR 17 29.478 10.911 6.228
110 1HG2 THR 17 3HG2 THR 17 26.619 8.445 7.163
111 2HG2 THR 17 2HG2 THR 17 28.261 8.226 7.740
112 3HG2 THR 17 1HG2 THR 17 27.426 9.738 8.029
113 H LEU 18 H LEU 18 30.786 8.384 4.816
114 HA LEU 18 HA LEU 18 32.458 6.721 5.024
115 1HB LEU 18 2HB LEU 18 31.689 7.746 7.423
116 2HB LEU 18 1HB LEU 18 31.201 6.090 7.711
117 HG LEU 18 HG LEU 18 33.972 6.920 6.773
118 1HD1 LEU 18 1HD1 LEU 18 33.143 6.202 9.580
119 2HD1 LEU 18 3HD1 LEU 18 34.793 6.444 9.017
120 3HD1 LEU 18 2HD1 LEU 18 33.658 7.780 8.998
121 1HD2 LEU 18 2HD2 LEU 18 32.948 4.239 7.807
122 2HD2 LEU 18 1HD2 LEU 18 33.434 4.569 6.156
123 3HD2 LEU 18 3HD2 LEU 18 34.627 4.580 7.426
124 H SER 19 H SER 19 31.192 5.587 3.350
125 HA SER 19 HA SER 19 29.798 3.128 4.212
126 1HB SER 19 2HB SER 19 29.348 4.851 2.148
127 2HB SER 19 1HB SER 19 30.400 3.702 1.318
128 HG SER 19 HG SER 19 27.860 3.426 2.302
129 H GLY 20 H GLY 20 32.202 3.012 5.170
130 1HA GLY 20 2HA GLY 20 33.695 1.071 5.266
131 2HA GLY 20 1HA GLY 20 33.543 0.903 3.516
132 H ILE 21 H ILE 21 35.958 0.757 3.695
133 HA ILE 21 HA ILE 21 37.136 3.499 3.502
134 HB ILE 21 HB ILE 21 38.232 1.116 5.032
135 1HG1 ILE 21 2HG1 ILE 21 36.650 2.575 6.293
136 2HG1 ILE 21 1HG1 ILE 21 38.254 2.551 7.001
137 1HG2 ILE 21 1HG2 ILE 21 39.784 3.600 4.303
138 2HG2 ILE 21 3HG2 ILE 21 40.264 2.427 5.531
139 3HG2 ILE 21 2HG2 ILE 21 40.129 1.935 3.869
140 1HD1 ILE 21 3HD1 ILE 21 38.786 4.691 5.815
141 2HD1 ILE 21 2HD1 ILE 21 37.175 4.669 5.129
142 3HD1 ILE 21 1HD1 ILE 21 37.391 4.876 6.832
143 H LEU 22 H LEU 22 38.786 3.811 2.123
144 HA LEU 22 HA LEU 22 38.893 2.126 -0.210
145 1HB LEU 22 2HB LEU 22 40.318 3.840 -1.111
146 2HB LEU 22 1HB LEU 22 39.129 4.619 -0.104
147 HG LEU 22 HG LEU 22 40.799 4.889 1.727
148 1HD1 LEU 22 3HD1 LEU 22 42.822 4.062 -0.408
149 2HD1 LEU 22 2HD1 LEU 22 43.228 4.779 1.134
150 3HD1 LEU 22 1HD1 LEU 22 42.569 3.179 1.082
151 1HD2 LEU 22 2HD2 LEU 22 40.278 6.703 0.065
152 2HD2 LEU 22 1HD2 LEU 22 41.968 6.793 0.538
153 3HD2 LEU 22 3HD2 LEU 22 41.521 6.074 -1.000
154 H TRP 23 H TRP 23 40.743 0.933 -0.985
155 HA TRP 23 HA TRP 23 42.693 0.339 1.134
156 1HB TRP 23 2HB TRP 23 40.846 -1.556 -0.196
157 2HB TRP 23 1HB TRP 23 42.483 -2.155 0.013
158 HD1 TRP 23 HD1 TRP 23 39.409 -1.456 2.104
159 HE1 TRP 23 HE1 TRP 23 39.955 -1.606 4.559
160 HE3 TRP 23 HE3 TRP 23 44.276 -1.659 1.610
161 HZ2 TRP 23 HZ2 TRP 23 42.307 -1.736 6.128
162 HZ3 TRP 23 HZ3 TRP 23 45.803 -1.733 3.537
163 HH2 TRP 23 HH2 TRP 23 44.788 -1.801 5.867
164 H PHE 24 H PHE 24 44.438 0.057 0.836
165 HA PHE 24 HA PHE 24 45.687 0.528 -1.739
166 1HB PHE 24 2HB PHE 24 46.314 0.792 1.200
167 2HB PHE 24 1HB PHE 24 47.716 0.392 0.302
168 HD1 PHE 24 HD1 PHE 24 44.724 2.558 -0.526
169 HD2 PHE 24 HD2 PHE 24 48.931 2.470 0.168
170 HE1 PHE 24 HE1 PHE 24 44.869 4.934 -1.070
171 HE2 PHE 24 HE2 PHE 24 49.062 4.860 -0.377
172 HZ PHE 24 HZ PHE 24 47.030 6.097 -0.999
173 H TYR 25 H TYR 25 44.652 -1.797 -1.988
174 HA TYR 25 HA TYR 25 46.888 -3.700 -1.573
175 1HB TYR 25 2HB TYR 25 44.055 -3.997 -0.921
176 2HB TYR 25 1HB TYR 25 44.661 -5.350 -1.849
177 HD1 TYR 25 HD2 TYR 25 45.442 -3.231 1.142
178 HD2 TYR 25 HD1 TYR 25 46.065 -6.902 -0.881
179 HE1 TYR 25 HE2 TYR 25 46.632 -4.082 3.103
180 HE2 TYR 25 HE1 TYR 25 47.262 -7.775 1.089
181 HH TYR 25 HH TYR 25 47.342 -6.071 4.099
182 HA PRO 26 HA PRO 26 46.797 -3.567 -5.972
183 1HB PRO 26 2HB PRO 26 48.929 -5.207 -6.528
184 2HB PRO 26 1HB PRO 26 49.172 -3.599 -5.823
185 1HG PRO 26 2HG PRO 26 48.833 -6.259 -4.310
186 2HG PRO 26 1HG PRO 26 50.191 -5.132 -4.201
187 1HD PRO 26 2HD PRO 26 48.198 -4.892 -2.400
188 2HD PRO 26 1HD PRO 26 48.771 -3.390 -3.147
189 H SER 27 H SER 27 46.072 -6.194 -4.035
190 HA SER 27 HA SER 27 45.167 -7.833 -6.346
191 1HB SER 27 2HB SER 27 45.062 -9.605 -4.420
192 2HB SER 27 1HB SER 27 46.676 -9.073 -4.929
193 HG SER 27 HG SER 27 45.545 -8.786 -2.568
194 H GLY 28 H GLY 28 43.983 -5.513 -4.432
195 1HA GLY 28 2HA GLY 28 41.499 -5.131 -4.793
196 2HA GLY 28 1HA GLY 28 41.268 -6.759 -4.153
197 H CYS 29 H CYS 29 40.889 -6.853 -1.915
198 HA CYS 29 HA CYS 29 41.922 -4.655 -0.246
199 1HB CYS 29 2HB CYS 29 39.203 -5.740 -0.618
200 2HB CYS 29 1HB CYS 29 39.672 -5.132 0.925
201 HA PRO 30 HA PRO 30 43.521 -7.715 2.141
202 1HB PRO 30 2HB PRO 30 43.947 -6.566 4.518
203 2HB PRO 30 1HB PRO 30 44.540 -5.789 3.044
204 1HG PRO 30 2HG PRO 30 41.881 -5.288 4.411
205 2HG PRO 30 1HG PRO 30 43.083 -4.102 4.119
206 1HD PRO 30 2HD PRO 30 41.030 -4.510 2.399
207 2HD PRO 30 1HD PRO 30 42.614 -4.123 1.741
208 H SER 31 H SER 31 43.469 -9.098 3.937
209 HA SER 31 HA SER 31 41.140 -10.560 4.240
210 1HB SER 31 2HB SER 31 43.452 -11.401 4.845
211 2HB SER 31 1HB SER 31 43.377 -10.408 6.316
212 HG SER 31 HG SER 31 42.094 -11.860 7.132
213 H GLY 32 H GLY 32 39.383 -10.022 5.086
214 1HA GLY 32 2HA GLY 32 38.083 -9.647 7.225
215 2HA GLY 32 1HA GLY 32 39.233 -8.371 7.604
216 H TRP 33 H TRP 33 38.862 -7.979 4.436
217 HA TRP 33 HA TRP 33 36.610 -6.119 4.790
218 1HB TRP 33 2HB TRP 33 38.961 -6.063 2.820
219 2HB TRP 33 1HB TRP 33 37.743 -4.844 2.893
220 HD1 TRP 33 HD1 TRP 33 40.364 -6.337 5.432
221 HE1 TRP 33 HE1 TRP 33 40.975 -4.564 7.058
222 HE3 TRP 33 HE3 TRP 33 37.298 -2.830 3.709
223 HZ2 TRP 33 HZ2 TRP 33 40.250 -1.918 7.563
224 HZ3 TRP 33 HZ3 TRP 33 37.234 -0.621 4.771
225 HH2 TRP 33 HH2 TRP 33 38.748 -0.154 6.735
226 H HIS 34 H HIS 34 35.251 -5.971 2.891
227 HA HIS 34 HA HIS 34 35.386 -8.415 1.164
228 1HB HIS 34 2HB HIS 34 34.062 -8.819 3.227
229 2HB HIS 34 1HB HIS 34 32.971 -7.522 2.768
230 HD1 HIS 34 HD1 HIS 34 34.188 -10.834 1.429
231 HD2 HIS 34 HD2 HIS 34 30.924 -8.276 1.160
232 HE1 HIS 34 HE1 HIS 34 32.391 -11.946 0.085
233 H ASN 35 H ASN 35 35.893 -5.698 0.511
234 HA ASN 35 HA ASN 35 35.585 -4.190 -1.079
235 1HB ASN 35 2HB ASN 35 34.024 -6.335 -2.526
236 2HB ASN 35 1HB ASN 35 35.078 -5.038 -3.102
237 1HD2 ASN 35 2HD2 ASN 35 37.047 -8.229 -3.137
238 2HD2 ASN 35 1HD2 ASN 35 35.525 -7.839 -3.786
239 H CYS 36 H CYS 36 34.441 -2.453 -1.603
240 HA CYS 36 HA CYS 36 31.548 -2.455 -0.898
241 1HB CYS 36 2HB CYS 36 31.880 -0.387 0.027
242 2HB CYS 36 1HB CYS 36 33.463 -1.001 0.295
243 H LYS 37 H LYS 37 34.012 -1.370 -3.118
244 HA LYS 37 HA LYS 37 31.964 -1.061 -5.272
245 1HB LYS 37 2HB LYS 37 32.713 1.143 -4.297
246 2HB LYS 37 1HB LYS 37 34.347 0.769 -4.783
247 1HG LYS 37 2HG LYS 37 33.901 1.061 -7.052
248 2HG LYS 37 1HG LYS 37 32.220 0.554 -6.917
249 1HD LYS 37 2HD LYS 37 31.739 2.660 -5.685
250 2HD LYS 37 1HD LYS 37 33.400 3.183 -5.910
251 1HE LYS 37 2HE LYS 37 33.016 3.302 -8.315
252 2HE LYS 37 1HE LYS 37 31.425 2.555 -8.135
253 1HZ LYS 37 2HZ LYS 37 31.589 4.723 -6.395
254 2HZ LYS 37 1HZ LYS 37 32.116 5.237 -7.931
255 3HZ LYS 37 3HZ LYS 37 30.576 4.527 -7.740
256 H ALA 38 H ALA 38 32.608 -1.783 -7.165
257 HA ALA 38 HA ALA 38 35.274 -3.133 -7.431
258 1HB ALA 38 2HB ALA 38 32.575 -3.946 -8.646
259 2HB ALA 38 1HB ALA 38 34.094 -4.794 -8.871
260 3HB ALA 38 3HB ALA 38 33.336 -4.760 -7.282
261 H HIS 39 H HIS 39 34.415 -0.447 -7.914
262 HA HIS 39 HA HIS 39 35.017 -0.270 -10.841
263 1HB HIS 39 2HB HIS 39 33.057 1.571 -9.422
264 2HB HIS 39 1HB HIS 39 33.213 1.355 -11.153
265 HD1 HIS 39 HD1 HIS 39 33.068 -1.821 -10.906
266 HD2 HIS 39 HD2 HIS 39 30.509 0.939 -9.180
267 HE1 HIS 39 HE1 HIS 39 30.910 -2.917 -10.437
268 H GLY 40 H GLY 40 37.076 -0.168 -9.376
269 1HA GLY 40 2HA GLY 40 38.943 1.233 -8.896
270 2HA GLY 40 1HA GLY 40 37.945 2.620 -9.388
271 HA PRO 41 HA PRO 41 38.543 4.426 -8.406
272 1HB PRO 41 2HB PRO 41 39.600 6.138 -6.639
273 2HB PRO 41 1HB PRO 41 37.851 5.870 -6.654
274 1HG PRO 41 2HG PRO 41 39.897 4.333 -4.943
275 2HG PRO 41 1HG PRO 41 38.541 5.279 -4.339
276 1HD PRO 41 2HD PRO 41 38.136 2.693 -4.718
277 2HD PRO 41 1HD PRO 41 36.900 3.835 -5.261
278 H ASN 42 H ASN 42 40.986 5.678 -8.123
279 HA ASN 42 HA ASN 42 42.840 3.461 -8.571
280 1HB ASN 42 2HB ASN 42 44.283 5.236 -9.584
281 2HB ASN 42 1HB ASN 42 42.709 5.295 -10.356
282 1HD2 ASN 42 2HD2 ASN 42 42.006 8.532 -9.084
283 2HD2 ASN 42 1HD2 ASN 42 41.367 7.201 -9.923
284 H ILE 43 H ILE 43 41.778 5.640 -6.363
285 HA ILE 43 HA ILE 43 44.308 5.714 -5.144
286 HB ILE 43 HB ILE 43 43.148 7.227 -3.333
287 1HG1 ILE 43 2HG1 ILE 43 40.809 7.136 -5.267
288 2HG1 ILE 43 1HG1 ILE 43 40.857 6.146 -3.812
289 1HG2 ILE 43 3HG2 ILE 43 44.336 8.226 -5.273
290 2HG2 ILE 43 2HG2 ILE 43 42.899 8.080 -6.260
291 3HG2 ILE 43 1HG2 ILE 43 42.921 9.176 -4.892
292 1HD1 ILE 43 3HD1 ILE 43 41.007 9.197 -3.894
293 2HD1 ILE 43 2HD1 ILE 43 39.612 8.254 -3.416
294 3HD1 ILE 43 1HD1 ILE 43 41.066 8.222 -2.434
295 H GLY 44 H GLY 44 42.865 3.391 -5.287
296 1HA GLY 44 2HA GLY 44 43.336 1.487 -3.735
297 2HA GLY 44 1HA GLY 44 42.774 2.504 -2.407
298 H TRP 45 H TRP 45 41.874 -0.092 -3.642
299 HA TRP 45 HA TRP 45 39.241 0.293 -4.836
300 1HB TRP 45 2HB TRP 45 39.806 -2.055 -2.982
301 2HB TRP 45 1HB TRP 45 38.777 -2.032 -4.397
302 HD1 TRP 45 HD1 TRP 45 42.490 -1.938 -3.406
303 HE1 TRP 45 HE1 TRP 45 43.898 -2.896 -5.189
304 HE3 TRP 45 HE3 TRP 45 38.896 -2.620 -6.921
305 HZ2 TRP 45 HZ2 TRP 45 43.626 -3.819 -7.745
306 HZ3 TRP 45 HZ3 TRP 45 39.572 -3.594 -9.100
307 HH2 TRP 45 HH2 TRP 45 41.935 -4.188 -9.510
308 H CYS 46 H CYS 46 37.080 0.791 -3.712
309 HA CYS 46 HA CYS 46 37.459 1.351 -0.849
310 1HB CYS 46 2HB CYS 46 35.289 1.847 -2.810
311 2HB CYS 46 1HB CYS 46 35.214 2.393 -1.156
312 H CYS 47 H CYS 47 36.969 0.084 0.571
313 HA CYS 47 HA CYS 47 35.045 -2.080 0.092
314 1HB CYS 47 2HB CYS 47 37.794 -2.211 1.217
315 2HB CYS 47 1HB CYS 47 36.698 -3.513 1.389
316 H LYS 48 H LYS 48 35.114 -3.362 2.406
317 HA LYS 48 HA LYS 48 34.988 -1.420 4.506
318 1HB LYS 48 2HB LYS 48 32.791 -1.657 5.139
319 2HB LYS 48 1HB LYS 48 32.729 -1.320 3.430
320 1HG LYS 48 2HG LYS 48 32.403 -4.014 4.787
321 2HG LYS 48 1HG LYS 48 31.219 -3.004 4.015
322 1HD LYS 48 2HD LYS 48 32.829 -3.096 1.986
323 2HD LYS 48 1HD LYS 48 33.639 -4.363 2.827
324 1HE LYS 48 2HE LYS 48 32.224 -5.720 1.551
325 2HE LYS 48 1HE LYS 48 31.351 -5.597 3.060
326 1HZ LYS 48 3HZ LYS 48 30.576 -3.463 1.420
327 2HZ LYS 48 2HZ LYS 48 30.580 -4.896 0.514
328 3HZ LYS 48 1HZ LYS 48 29.652 -4.795 1.955
329 H LYS 49 H LYS 49 34.275 -2.574 6.459
330 HA LYS 49 HA LYS 49 35.681 -5.217 6.602
331 1HB LYS 49 2HB LYS 49 34.814 -3.351 8.852
332 2HB LYS 49 1HB LYS 49 35.685 -4.857 9.051
333 1HG LYS 49 2HG LYS 49 37.453 -3.889 7.440
334 2HG LYS 49 1HG LYS 49 36.622 -2.354 7.592
335 1HD LYS 49 2HD LYS 49 38.497 -2.369 9.145
336 2HD LYS 49 1HD LYS 49 37.014 -2.416 10.075
337 1HE LYS 49 2HE LYS 49 37.270 -4.863 10.409
338 2HE LYS 49 1HE LYS 49 38.673 -4.875 9.347
339 1HZ LYS 49 2HZ LYS 49 39.114 -2.962 11.326
340 2HZ LYS 49 1HZ LYS 49 38.554 -4.369 12.092
341 3HZ LYS 49 3HZ LYS 49 39.915 -4.442 11.078
No H/Q in entry = 341
Start of MODEL 17
1 1H GLY 1 1H GLY 1 42.095 4.647 7.429
2 2H GLY 1 3H GLY 1 42.583 3.118 6.878
3 3H GLY 1 2H GLY 1 43.704 4.399 6.928
4 1HA GLY 1 2HA GLY 1 43.152 4.995 4.874
5 2HA GLY 1 1HA GLY 1 42.009 3.648 4.814
6 H VAL 2 H VAL 2 41.366 6.014 3.510
7 HA VAL 2 HA VAL 2 39.663 7.569 5.344
8 HB VAL 2 HB VAL 2 39.995 7.855 2.323
9 1HG1 VAL 2 2HG1 VAL 2 37.965 8.983 3.247
10 2HG1 VAL 2 1HG1 VAL 2 38.960 9.839 4.413
11 3HG1 VAL 2 3HG1 VAL 2 39.138 10.153 2.697
12 1HG2 VAL 2 1HG2 VAL 2 41.464 9.295 4.587
13 2HG2 VAL 2 3HG2 VAL 2 42.198 8.147 3.485
14 3HG2 VAL 2 2HG2 VAL 2 41.611 9.683 2.885
15 HA PRO 3 HA PRO 3 36.034 5.192 4.112
16 1HB PRO 3 2HB PRO 3 34.059 6.712 5.133
17 2HB PRO 3 1HB PRO 3 35.122 5.789 6.202
18 1HG PRO 3 2HG PRO 3 35.518 8.703 5.268
19 2HG PRO 3 1HG PRO 3 35.394 8.144 6.940
20 1HD PRO 3 2HD PRO 3 37.832 8.412 5.883
21 2HD PRO 3 1HD PRO 3 37.504 6.919 6.787
22 H CYS 4 H CYS 4 34.901 5.202 2.252
23 HA CYS 4 HA CYS 4 34.516 7.776 0.809
24 1HB CYS 4 2HB CYS 4 35.142 5.998 -1.219
25 2HB CYS 4 1HB CYS 4 36.256 7.135 -0.496
26 H LEU 5 H LEU 5 33.171 7.331 -1.264
27 HA LEU 5 HA LEU 5 30.773 5.797 -0.401
28 1HB LEU 5 2HB LEU 5 31.027 8.405 -1.395
29 2HB LEU 5 1HB LEU 5 30.633 7.516 -2.827
30 HG LEU 5 HG LEU 5 28.521 8.160 -1.962
31 1HD1 LEU 5 1HD1 LEU 5 28.480 5.668 -2.379
32 2HD1 LEU 5 3HD1 LEU 5 28.816 5.391 -0.686
33 3HD1 LEU 5 2HD1 LEU 5 27.337 6.178 -1.162
34 1HD2 LEU 5 1HD2 LEU 5 29.529 7.445 0.827
35 2HD2 LEU 5 3HD2 LEU 5 29.334 9.060 0.159
36 3HD2 LEU 5 2HD2 LEU 5 27.930 8.056 0.430
37 H CYS 6 H CYS 6 30.063 4.109 -1.793
38 HA CYS 6 HA CYS 6 31.962 3.452 -3.975
39 1HB CYS 6 2HB CYS 6 30.358 1.344 -2.506
40 2HB CYS 6 1HB CYS 6 31.959 1.319 -3.194
41 H ASP 7 H ASP 7 30.205 1.002 -4.514
42 HA ASP 7 HA ASP 7 29.158 2.013 -6.988
43 1HB ASP 7 2HB ASP 7 28.255 -0.210 -7.283
44 2HB ASP 7 1HB ASP 7 29.702 -0.432 -6.317
45 H SER 8 H SER 8 27.979 2.205 -3.851
46 HA SER 8 HA SER 8 25.148 2.694 -4.626
47 1HB SER 8 2HB SER 8 25.525 1.377 -2.541
48 2HB SER 8 1HB SER 8 26.541 2.656 -1.876
49 HG SER 8 HG SER 8 24.378 3.937 -2.527
50 H ASP 9 H ASP 9 27.809 4.286 -4.971
51 HA ASP 9 HA ASP 9 27.220 6.889 -3.778
52 1HB ASP 9 2HB ASP 9 29.600 6.239 -4.093
53 2HB ASP 9 1HB ASP 9 29.377 5.990 -5.801
54 H GLY 10 H GLY 10 25.119 6.975 -4.650
55 1HA GLY 10 2HA GLY 10 24.729 7.162 -7.541
56 2HA GLY 10 1HA GLY 10 23.541 7.629 -6.308
57 HA PRO 11 HA PRO 11 25.313 11.573 -8.018
58 1HB PRO 11 2HB PRO 11 23.038 12.910 -8.556
59 2HB PRO 11 1HB PRO 11 23.509 11.571 -9.619
60 1HG PRO 11 2HG PRO 11 21.657 11.461 -7.164
61 2HG PRO 11 1HG PRO 11 21.282 10.943 -8.810
62 1HD PRO 11 2HD PRO 11 22.179 9.123 -7.024
63 2HD PRO 11 1HD PRO 11 22.784 9.048 -8.689
64 H ARG 12 H ARG 12 25.277 10.781 -5.391
65 HA ARG 12 HA ARG 12 24.395 13.212 -3.924
66 1HB ARG 12 2HB ARG 12 23.586 10.588 -3.504
67 2HB ARG 12 1HB ARG 12 24.877 10.779 -2.334
68 1HG ARG 12 2HG ARG 12 23.758 12.888 -1.512
69 2HG ARG 12 1HG ARG 12 22.449 12.584 -2.644
70 1HD ARG 12 2HD ARG 12 22.116 10.360 -1.628
71 2HD ARG 12 1HD ARG 12 23.391 10.715 -0.464
72 HE ARG 12 HE ARG 12 21.917 12.225 0.663
73 1HH1 ARG 12 1HH2 ARG 12 20.252 10.128 -1.193
74 2HH1 ARG 12 2HH2 ARG 12 18.819 11.076 -1.403
75 1HH2 ARG 12 2HH1 ARG 12 20.339 13.955 -0.060
76 2HH2 ARG 12 1HH1 ARG 12 18.883 13.325 -0.736
77 HA PRO 13 HA PRO 13 28.734 13.717 -3.495
78 1HB PRO 13 2HB PRO 13 28.916 15.470 -1.380
79 2HB PRO 13 1HB PRO 13 28.301 15.978 -2.965
80 1HG PRO 13 2HG PRO 13 26.715 14.902 -0.577
81 2HG PRO 13 1HG PRO 13 26.464 16.439 -1.406
82 1HD PRO 13 2HD PRO 13 24.954 14.395 -2.190
83 2HD PRO 13 1HD PRO 13 25.755 15.326 -3.466
84 H ARG 14 H ARG 14 30.504 13.341 -2.322
85 HA ARG 14 HA ARG 14 30.468 10.994 -0.672
86 1HB ARG 14 2HB ARG 14 32.954 11.324 -0.643
87 2HB ARG 14 1HB ARG 14 32.317 11.496 -2.266
88 1HG ARG 14 2HG ARG 14 32.280 14.015 -1.944
89 2HG ARG 14 1HG ARG 14 33.016 13.791 -0.368
90 1HD ARG 14 2HD ARG 14 34.981 12.705 -1.448
91 2HD ARG 14 1HD ARG 14 34.262 13.012 -3.029
92 HE ARG 14 HE ARG 14 34.249 15.501 -1.800
93 1HH1 ARG 14 1HH2 ARG 14 36.678 13.691 -0.789
94 2HH1 ARG 14 2HH2 ARG 14 37.976 14.495 -1.613
95 1HH2 ARG 14 2HH1 ARG 14 35.755 16.292 -3.671
96 2HH2 ARG 14 1HH1 ARG 14 37.423 16.015 -3.318
97 H GLY 15 H GLY 15 31.073 10.831 1.521
98 1HA GLY 15 2HA GLY 15 31.729 11.782 3.673
99 2HA GLY 15 1HA GLY 15 31.167 13.361 3.123
100 H ASN 16 H ASN 16 28.760 12.223 1.943
101 HA ASN 16 HA ASN 16 26.841 12.670 3.879
102 1HB ASN 16 2HB ASN 16 26.723 10.757 1.503
103 2HB ASN 16 1HB ASN 16 25.312 11.228 2.447
104 1HD2 ASN 16 2HD2 ASN 16 25.163 13.663 -0.168
105 2HD2 ASN 16 1HD2 ASN 16 24.654 12.087 0.211
106 H THR 17 H THR 17 28.361 9.583 3.159
107 HA THR 17 HA THR 17 27.669 8.611 5.840
108 HB THR 17 HB THR 17 25.689 7.850 4.446
109 HG1 THR 17 HG1 THR 17 25.929 6.046 5.568
110 1HG2 THR 17 2HG2 THR 17 27.831 6.308 2.878
111 2HG2 THR 17 1HG2 THR 17 26.098 6.202 2.617
112 3HG2 THR 17 3HG2 THR 17 26.954 7.685 2.229
113 H LEU 18 H LEU 18 28.977 6.825 6.403
114 HA LEU 18 HA LEU 18 31.484 6.586 4.770
115 1HB LEU 18 2HB LEU 18 31.063 5.934 7.726
116 2HB LEU 18 1HB LEU 18 32.604 6.010 6.905
117 HG LEU 18 HG LEU 18 30.710 8.327 7.520
118 1HD1 LEU 18 3HD1 LEU 18 32.147 7.622 9.400
119 2HD1 LEU 18 2HD1 LEU 18 33.579 7.787 8.400
120 3HD1 LEU 18 1HD1 LEU 18 32.630 9.204 8.823
121 1HD2 LEU 18 1HD2 LEU 18 33.262 8.511 5.866
122 2HD2 LEU 18 3HD2 LEU 18 31.636 8.764 5.268
123 3HD2 LEU 18 2HD2 LEU 18 32.312 9.862 6.443
124 H SER 19 H SER 19 30.682 5.020 3.429
125 HA SER 19 HA SER 19 29.506 2.551 4.500
126 1HB SER 19 2HB SER 19 30.086 3.237 1.597
127 2HB SER 19 1HB SER 19 28.948 2.041 2.234
128 HG SER 19 HG SER 19 28.481 4.592 1.834
129 H GLY 20 H GLY 20 32.507 3.157 4.797
130 1HA GLY 20 2HA GLY 20 33.640 0.725 4.985
131 2HA GLY 20 1HA GLY 20 33.655 0.927 3.226
132 H ILE 21 H ILE 21 36.022 0.781 3.561
133 HA ILE 21 HA ILE 21 37.178 3.497 4.018
134 HB ILE 21 HB ILE 21 38.361 0.885 5.000
135 1HG1 ILE 21 2HG1 ILE 21 36.456 1.717 6.461
136 2HG1 ILE 21 1HG1 ILE 21 37.980 1.685 7.308
137 1HG2 ILE 21 3HG2 ILE 21 39.475 3.654 5.238
138 2HG2 ILE 21 2HG2 ILE 21 40.114 2.252 6.078
139 3HG2 ILE 21 1HG2 ILE 21 40.162 2.317 4.329
140 1HD1 ILE 21 1HD1 ILE 21 36.735 4.163 6.055
141 2HD1 ILE 21 3HD1 ILE 21 36.747 3.789 7.764
142 3HD1 ILE 21 2HD1 ILE 21 38.251 4.146 6.939
143 H LEU 22 H LEU 22 38.861 3.978 2.766
144 HA LEU 22 HA LEU 22 39.084 2.724 0.204
145 1HB LEU 22 2HB LEU 22 39.477 5.025 0.005
146 2HB LEU 22 1HB LEU 22 40.145 5.155 1.610
147 HG LEU 22 HG LEU 22 42.330 4.190 0.759
148 1HD1 LEU 22 3HD1 LEU 22 41.451 3.048 -1.318
149 2HD1 LEU 22 2HD1 LEU 22 41.059 4.615 -1.988
150 3HD1 LEU 22 1HD1 LEU 22 42.728 4.196 -1.666
151 1HD2 LEU 22 3HD2 LEU 22 41.974 6.635 1.026
152 2HD2 LEU 22 2HD2 LEU 22 43.014 6.301 -0.348
153 3HD2 LEU 22 1HD2 LEU 22 41.325 6.727 -0.601
154 H TRP 23 H TRP 23 40.580 1.290 -0.553
155 HA TRP 23 HA TRP 23 42.717 0.591 1.335
156 1HB TRP 23 2HB TRP 23 40.690 -1.173 0.038
157 2HB TRP 23 1HB TRP 23 42.295 -1.859 0.203
158 HD1 TRP 23 HD1 TRP 23 39.308 -0.996 2.369
159 HE1 TRP 23 HE1 TRP 23 39.932 -1.227 4.812
160 HE3 TRP 23 HE3 TRP 23 44.188 -1.451 1.737
161 HZ2 TRP 23 HZ2 TRP 23 42.259 -1.490 6.293
162 HZ3 TRP 23 HZ3 TRP 23 45.720 -1.636 3.665
163 HH2 TRP 23 HH2 TRP 23 44.737 -1.676 5.994
164 H PHE 24 H PHE 24 44.406 0.249 0.938
165 HA PHE 24 HA PHE 24 45.700 0.717 -1.620
166 1HB PHE 24 2HB PHE 24 46.298 0.854 1.311
167 2HB PHE 24 1HB PHE 24 47.689 0.402 0.432
168 HD1 PHE 24 HD1 PHE 24 45.042 2.843 -0.744
169 HD2 PHE 24 HD2 PHE 24 48.956 2.341 0.879
170 HE1 PHE 24 HE1 PHE 24 45.497 5.227 -1.072
171 HE2 PHE 24 HE2 PHE 24 49.405 4.729 0.555
172 HZ PHE 24 HZ PHE 24 47.674 6.181 -0.423
173 H TYR 25 H TYR 25 44.503 -1.861 -1.566
174 HA TYR 25 HA TYR 25 46.888 -3.555 -1.366
175 1HB TYR 25 2HB TYR 25 44.087 -4.057 -0.597
176 2HB TYR 25 1HB TYR 25 44.764 -5.365 -1.536
177 HD1 TYR 25 HD1 TYR 25 46.803 -3.151 0.577
178 HD2 TYR 25 HD2 TYR 25 44.919 -6.936 0.326
179 HE1 TYR 25 HE1 TYR 25 48.039 -3.874 2.569
180 HE2 TYR 25 HE2 TYR 25 46.156 -7.682 2.321
181 HH TYR 25 HH TYR 25 48.563 -5.674 3.925
182 HA PRO 26 HA PRO 26 46.721 -3.677 -5.601
183 1HB PRO 26 2HB PRO 26 48.766 -5.487 -6.113
184 2HB PRO 26 1HB PRO 26 49.127 -3.869 -5.496
185 1HG PRO 26 2HG PRO 26 48.656 -6.430 -3.858
186 2HG PRO 26 1HG PRO 26 50.042 -5.339 -3.777
187 1HD PRO 26 2HD PRO 26 48.008 -4.981 -2.030
188 2HD PRO 26 1HD PRO 26 48.678 -3.516 -2.776
189 H SER 27 H SER 27 46.325 -6.324 -3.501
190 HA SER 27 HA SER 27 45.246 -8.193 -5.469
191 1HB SER 27 2HB SER 27 44.898 -9.509 -3.214
192 2HB SER 27 1HB SER 27 46.569 -9.187 -3.708
193 HG SER 27 HG SER 27 45.314 -8.309 -1.533
194 H GLY 28 H GLY 28 43.981 -5.516 -4.217
195 1HA GLY 28 2HA GLY 28 41.605 -5.016 -4.696
196 2HA GLY 28 1HA GLY 28 41.201 -6.644 -4.131
197 H CYS 29 H CYS 29 40.423 -6.669 -2.056
198 HA CYS 29 HA CYS 29 41.047 -4.434 -0.273
199 1HB CYS 29 2HB CYS 29 39.149 -6.743 0.197
200 2HB CYS 29 1HB CYS 29 39.244 -5.183 0.934
201 HA PRO 30 HA PRO 30 43.652 -7.208 2.043
202 1HB PRO 30 2HB PRO 30 43.928 -5.988 4.403
203 2HB PRO 30 1HB PRO 30 44.414 -5.098 2.948
204 1HG PRO 30 2HG PRO 30 41.663 -5.169 4.188
205 2HG PRO 30 1HG PRO 30 42.648 -3.754 4.113
206 1HD PRO 30 2HD PRO 30 40.873 -4.203 2.133
207 2HD PRO 30 1HD PRO 30 42.522 -3.779 1.626
208 H SER 31 H SER 31 43.822 -8.390 4.028
209 HA SER 31 HA SER 31 41.975 -10.343 4.310
210 1HB SER 31 2HB SER 31 43.819 -9.327 6.503
211 2HB SER 31 1HB SER 31 43.310 -11.004 6.229
212 HG SER 31 HG SER 31 44.906 -11.090 4.816
213 H GLY 32 H GLY 32 39.909 -10.021 4.686
214 1HA GLY 32 2HA GLY 32 38.226 -10.049 6.516
215 2HA GLY 32 1HA GLY 32 39.125 -8.762 7.299
216 H TRP 33 H TRP 33 38.994 -8.052 4.053
217 HA TRP 33 HA TRP 33 36.609 -6.314 4.467
218 1HB TRP 33 2HB TRP 33 39.056 -6.026 2.708
219 2HB TRP 33 1HB TRP 33 37.742 -4.870 2.737
220 HD1 TRP 33 HD1 TRP 33 40.283 -6.410 5.329
221 HE1 TRP 33 HE1 TRP 33 40.778 -4.711 7.064
222 HE3 TRP 33 HE3 TRP 33 37.215 -2.842 3.633
223 HZ2 TRP 33 HZ2 TRP 33 39.999 -2.124 7.645
224 HZ3 TRP 33 HZ3 TRP 33 37.091 -0.710 4.799
225 HH2 TRP 33 HH2 TRP 33 38.515 -0.333 6.850
226 H HIS 34 H HIS 34 35.399 -5.929 2.395
227 HA HIS 34 HA HIS 34 35.718 -8.190 0.461
228 1HB HIS 34 2HB HIS 34 34.367 -8.929 2.381
229 2HB HIS 34 1HB HIS 34 33.204 -7.655 2.078
230 HD1 HIS 34 HD1 HIS 34 31.632 -8.044 0.065
231 HD2 HIS 34 HD2 HIS 34 34.432 -11.043 0.659
232 HE1 HIS 34 HE1 HIS 34 30.983 -10.054 -1.321
233 H ASN 35 H ASN 35 36.170 -5.495 0.163
234 HA ASN 35 HA ASN 35 35.918 -3.754 -1.323
235 1HB ASN 35 2HB ASN 35 36.005 -5.627 -2.972
236 2HB ASN 35 1HB ASN 35 34.246 -5.721 -2.914
237 1HD2 ASN 35 2HD2 ASN 35 35.997 -2.669 -4.940
238 2HD2 ASN 35 1HD2 ASN 35 36.973 -3.683 -3.982
239 H CYS 36 H CYS 36 34.682 -2.045 -1.871
240 HA CYS 36 HA CYS 36 31.819 -2.086 -1.054
241 1HB CYS 36 2HB CYS 36 32.255 -0.203 0.192
242 2HB CYS 36 1HB CYS 36 33.862 -0.803 0.204
243 H LYS 37 H LYS 37 34.343 -0.635 -2.966
244 HA LYS 37 HA LYS 37 32.385 0.143 -5.080
245 1HB LYS 37 2HB LYS 37 33.888 1.784 -3.863
246 2HB LYS 37 1HB LYS 37 35.238 1.086 -4.699
247 1HG LYS 37 2HG LYS 37 34.043 1.597 -6.905
248 2HG LYS 37 1HG LYS 37 32.746 2.331 -5.988
249 1HD LYS 37 2HD LYS 37 35.492 3.401 -6.535
250 2HD LYS 37 1HD LYS 37 33.957 4.225 -6.526
251 1HE LYS 37 2HE LYS 37 33.962 3.827 -3.925
252 2HE LYS 37 1HE LYS 37 35.661 3.504 -4.143
253 1HZ LYS 37 3HZ LYS 37 35.042 5.826 -5.534
254 2HZ LYS 37 2HZ LYS 37 34.335 5.912 -3.990
255 3HZ LYS 37 1HZ LYS 37 36.016 5.664 -4.136
256 H ALA 38 H ALA 38 32.201 -1.573 -6.252
257 HA ALA 38 HA ALA 38 34.441 -3.289 -7.082
258 1HB ALA 38 3HB ALA 38 31.516 -3.254 -7.970
259 2HB ALA 38 2HB ALA 38 32.670 -4.523 -8.335
260 3HB ALA 38 1HB ALA 38 32.163 -4.250 -6.671
261 H HIS 39 H HIS 39 33.820 -0.344 -7.786
262 HA HIS 39 HA HIS 39 34.469 -0.552 -10.699
263 1HB HIS 39 2HB HIS 39 32.791 1.649 -9.423
264 2HB HIS 39 1HB HIS 39 32.938 1.287 -11.137
265 HD1 HIS 39 HD1 HIS 39 32.477 -1.826 -10.791
266 HD2 HIS 39 HD2 HIS 39 30.257 1.228 -9.027
267 HE1 HIS 39 HE1 HIS 39 30.227 -2.673 -10.217
268 H GLY 40 H GLY 40 36.248 -0.505 -8.542
269 1HA GLY 40 2HA GLY 40 38.443 0.504 -8.503
270 2HA GLY 40 1HA GLY 40 37.759 1.953 -9.221
271 HA PRO 41 HA PRO 41 38.445 3.805 -8.765
272 1HB PRO 41 2HB PRO 41 39.839 5.695 -7.554
273 2HB PRO 41 1HB PRO 41 38.100 5.628 -7.265
274 1HG PRO 41 2HG PRO 41 40.238 4.233 -5.551
275 2HG PRO 41 1HG PRO 41 39.057 5.394 -4.950
276 1HD PRO 41 2HD PRO 41 38.358 2.881 -4.768
277 2HD PRO 41 1HD PRO 41 37.198 4.075 -5.381
278 H ASN 42 H ASN 42 41.164 4.518 -9.116
279 HA ASN 42 HA ASN 42 42.458 1.887 -8.819
280 1HB ASN 42 2HB ASN 42 42.475 3.096 -11.124
281 2HB ASN 42 1HB ASN 42 43.433 4.376 -10.374
282 1HD2 ASN 42 2HD2 ASN 42 46.327 2.424 -10.996
283 2HD2 ASN 42 1HD2 ASN 42 45.639 3.978 -11.056
284 H ILE 43 H ILE 43 42.077 4.800 -7.404
285 HA ILE 43 HA ILE 43 44.711 4.830 -6.462
286 HB ILE 43 HB ILE 43 43.909 6.908 -5.061
287 1HG1 ILE 43 2HG1 ILE 43 41.411 6.531 -6.743
288 2HG1 ILE 43 1HG1 ILE 43 41.479 6.133 -5.029
289 1HG2 ILE 43 3HG2 ILE 43 45.024 7.104 -7.287
290 2HG2 ILE 43 2HG2 ILE 43 43.482 6.872 -8.096
291 3HG2 ILE 43 1HG2 ILE 43 43.773 8.313 -7.138
292 1HD1 ILE 43 3HD1 ILE 43 42.083 8.510 -4.552
293 2HD1 ILE 43 2HD1 ILE 43 41.946 8.897 -6.262
294 3HD1 ILE 43 1HD1 ILE 43 40.535 8.373 -5.368
295 H GLY 44 H GLY 44 43.145 2.749 -5.902
296 1HA GLY 44 2HA GLY 44 43.570 1.208 -4.023
297 2HA GLY 44 1HA GLY 44 43.069 2.488 -2.918
298 H TRP 45 H TRP 45 41.974 -0.176 -3.520
299 HA TRP 45 HA TRP 45 39.389 0.315 -4.873
300 1HB TRP 45 2HB TRP 45 39.920 -2.033 -3.006
301 2HB TRP 45 1HB TRP 45 38.877 -1.993 -4.414
302 HD1 TRP 45 HD1 TRP 45 42.641 -2.032 -3.487
303 HE1 TRP 45 HE1 TRP 45 43.963 -3.048 -5.293
304 HE3 TRP 45 HE3 TRP 45 38.923 -2.561 -6.901
305 HZ2 TRP 45 HZ2 TRP 45 43.578 -3.967 -7.856
306 HZ3 TRP 45 HZ3 TRP 45 39.495 -3.560 -9.099
307 HH2 TRP 45 HH2 TRP 45 41.815 -4.259 -9.568
308 H CYS 46 H CYS 46 37.418 1.074 -3.641
309 HA CYS 46 HA CYS 46 38.059 1.535 -0.769
310 1HB CYS 46 2HB CYS 46 36.887 3.299 -2.252
311 2HB CYS 46 1HB CYS 46 35.556 2.178 -2.345
312 H CYS 47 H CYS 47 37.444 0.165 0.609
313 HA CYS 47 HA CYS 47 35.494 -1.928 -0.146
314 1HB CYS 47 2HB CYS 47 38.076 -2.137 1.366
315 2HB CYS 47 1HB CYS 47 36.972 -3.432 1.230
316 H LYS 48 H LYS 48 35.290 -3.298 2.176
317 HA LYS 48 HA LYS 48 34.907 -1.372 4.265
318 1HB LYS 48 2HB LYS 48 32.683 -1.512 4.586
319 2HB LYS 48 1HB LYS 48 32.798 -1.369 2.854
320 1HG LYS 48 2HG LYS 48 32.323 -3.917 4.443
321 2HG LYS 48 1HG LYS 48 31.217 -3.004 3.452
322 1HD LYS 48 2HD LYS 48 32.982 -3.232 1.627
323 2HD LYS 48 1HD LYS 48 33.746 -4.402 2.614
324 1HE LYS 48 2HE LYS 48 32.273 -5.723 1.114
325 2HE LYS 48 1HE LYS 48 31.869 -5.928 2.804
326 1HZ LYS 48 2HZ LYS 48 30.387 -3.786 1.757
327 2HZ LYS 48 1HZ LYS 48 30.238 -5.113 0.722
328 3HZ LYS 48 3HZ LYS 48 29.819 -5.273 2.368
329 H LYS 49 H LYS 49 34.014 -2.514 6.123
330 HA LYS 49 HA LYS 49 35.306 -5.229 6.351
331 1HB LYS 49 2HB LYS 49 34.639 -3.137 8.453
332 2HB LYS 49 1HB LYS 49 34.898 -4.810 8.913
333 1HG LYS 49 2HG LYS 49 37.121 -4.582 7.492
334 2HG LYS 49 1HG LYS 49 36.851 -2.854 7.688
335 1HD LYS 49 2HD LYS 49 36.797 -3.128 10.157
336 2HD LYS 49 1HD LYS 49 36.969 -4.869 9.986
337 1HE LYS 49 2HE LYS 49 39.188 -4.405 8.768
338 2HE LYS 49 1HE LYS 49 39.000 -2.735 9.309
339 1HZ LYS 49 2HZ LYS 49 38.573 -4.377 11.500
340 2HZ LYS 49 1HZ LYS 49 39.988 -4.910 10.724
341 3HZ LYS 49 3HZ LYS 49 39.844 -3.289 11.225
No H/Q in entry = 341
Start of MODEL 18
1 1H GLY 1 2H GLY 1 42.788 4.929 7.216
2 2H GLY 1 1H GLY 1 43.030 3.304 6.779
3 3H GLY 1 3H GLY 1 44.266 4.448 6.526
4 1HA GLY 1 2HA GLY 1 43.459 4.899 4.506
5 2HA GLY 1 1HA GLY 1 42.184 3.712 4.782
6 H VAL 2 H VAL 2 41.259 5.627 3.332
7 HA VAL 2 HA VAL 2 39.978 7.631 5.128
8 HB VAL 2 HB VAL 2 40.319 7.744 2.096
9 1HG1 VAL 2 3HG1 VAL 2 38.355 9.036 2.919
10 2HG1 VAL 2 2HG1 VAL 2 39.382 9.898 4.056
11 3HG1 VAL 2 1HG1 VAL 2 39.604 10.110 2.331
12 1HG2 VAL 2 1HG2 VAL 2 41.869 9.235 4.274
13 2HG2 VAL 2 3HG2 VAL 2 42.523 7.968 3.249
14 3HG2 VAL 2 2HG2 VAL 2 42.040 9.497 2.545
15 HA PRO 3 HA PRO 3 36.239 5.422 3.925
16 1HB PRO 3 2HB PRO 3 34.366 6.837 5.124
17 2HB PRO 3 1HB PRO 3 35.498 5.850 6.049
18 1HG PRO 3 2HG PRO 3 35.755 8.849 5.336
19 2HG PRO 3 1HG PRO 3 35.794 8.147 6.959
20 1HD PRO 3 2HD PRO 3 38.124 8.601 5.650
21 2HD PRO 3 1HD PRO 3 37.941 7.108 6.595
22 H CYS 4 H CYS 4 35.592 5.473 2.031
23 HA CYS 4 HA CYS 4 34.634 7.957 0.684
24 1HB CYS 4 2HB CYS 4 35.420 6.509 -1.422
25 2HB CYS 4 1HB CYS 4 36.537 7.516 -0.546
26 H LEU 5 H LEU 5 32.989 7.464 -1.076
27 HA LEU 5 HA LEU 5 31.165 5.432 -0.012
28 1HB LEU 5 2HB LEU 5 30.538 7.916 -0.676
29 2HB LEU 5 1HB LEU 5 30.621 7.362 -2.332
30 HG LEU 5 HG LEU 5 28.719 5.842 -2.020
31 1HD1 LEU 5 2HD1 LEU 5 28.883 6.537 0.974
32 2HD1 LEU 5 1HD1 LEU 5 27.668 5.528 0.218
33 3HD1 LEU 5 3HD1 LEU 5 29.301 4.968 0.312
34 1HD2 LEU 5 1HD2 LEU 5 28.175 8.318 -2.186
35 2HD2 LEU 5 3HD2 LEU 5 26.975 7.427 -1.277
36 3HD2 LEU 5 2HD2 LEU 5 28.175 8.408 -0.444
37 H CYS 6 H CYS 6 29.870 4.258 -1.913
38 HA CYS 6 HA CYS 6 31.886 3.435 -3.935
39 1HB CYS 6 2HB CYS 6 30.334 1.283 -2.486
40 2HB CYS 6 1HB CYS 6 31.939 1.290 -3.182
41 H ASP 7 H ASP 7 30.364 0.911 -4.525
42 HA ASP 7 HA ASP 7 29.258 1.914 -6.960
43 1HB ASP 7 2HB ASP 7 28.587 -0.333 -7.382
44 2HB ASP 7 1HB ASP 7 29.881 -0.544 -6.229
45 H SER 8 H SER 8 27.827 1.533 -3.767
46 HA SER 8 HA SER 8 25.134 2.129 -4.738
47 1HB SER 8 2HB SER 8 26.245 2.052 -1.874
48 2HB SER 8 1HB SER 8 24.537 2.019 -2.326
49 HG SER 8 HG SER 8 24.789 -0.059 -2.860
50 H ASP 9 H ASP 9 27.616 4.009 -4.915
51 HA ASP 9 HA ASP 9 26.879 6.428 -3.493
52 1HB ASP 9 2HB ASP 9 29.254 6.185 -3.981
53 2HB ASP 9 1HB ASP 9 29.021 5.794 -5.651
54 H GLY 10 H GLY 10 24.632 6.023 -4.399
55 1HA GLY 10 2HA GLY 10 24.169 7.942 -6.589
56 2HA GLY 10 1HA GLY 10 23.537 6.299 -6.813
57 HA PRO 11 HA PRO 11 20.738 9.251 -4.578
58 1HB PRO 11 2HB PRO 11 18.522 9.191 -6.075
59 2HB PRO 11 1HB PRO 11 20.008 9.859 -6.773
60 1HG PRO 11 2HG PRO 11 19.013 6.949 -6.941
61 2HG PRO 11 1HG PRO 11 19.363 8.030 -8.293
62 1HD PRO 11 2HD PRO 11 21.293 6.351 -7.406
63 2HD PRO 11 1HD PRO 11 21.741 8.003 -7.857
64 H ARG 12 H ARG 12 21.109 6.592 -3.657
65 HA ARG 12 HA ARG 12 18.381 5.933 -2.596
66 1HB ARG 12 2HB ARG 12 20.663 4.185 -3.406
67 2HB ARG 12 1HB ARG 12 19.497 3.619 -2.213
68 1HG ARG 12 2HG ARG 12 17.650 3.881 -3.690
69 2HG ARG 12 1HG ARG 12 18.538 4.927 -4.782
70 1HD ARG 12 2HD ARG 12 18.237 2.731 -5.726
71 2HD ARG 12 1HD ARG 12 19.949 3.085 -5.444
72 HE ARG 12 HE ARG 12 18.368 1.382 -3.542
73 1HH1 ARG 12 2HH1 ARG 12 21.132 2.047 -2.872
74 2HH1 ARG 12 1HH1 ARG 12 22.063 0.733 -3.499
75 1HH2 ARG 12 1HH2 ARG 12 19.391 -0.330 -5.562
76 2HH2 ARG 12 2HH2 ARG 12 21.016 -0.688 -5.102
77 HA PRO 13 HA PRO 13 20.502 7.353 1.122
78 1HB PRO 13 2HB PRO 13 18.522 7.324 2.925
79 2HB PRO 13 1HB PRO 13 18.453 8.384 1.502
80 1HG PRO 13 2HG PRO 13 17.317 5.524 1.735
81 2HG PRO 13 1HG PRO 13 16.382 6.990 1.412
82 1HD PRO 13 2HD PRO 13 17.279 5.549 -0.673
83 2HD PRO 13 1HD PRO 13 17.424 7.318 -0.751
84 H ARG 14 H ARG 14 21.545 5.170 0.654
85 HA ARG 14 HA ARG 14 21.751 3.741 3.199
86 1HB ARG 14 2HB ARG 14 21.510 2.256 0.525
87 2HB ARG 14 1HB ARG 14 21.690 1.513 2.104
88 1HG ARG 14 2HG ARG 14 19.478 2.552 2.747
89 2HG ARG 14 1HG ARG 14 19.296 3.076 1.086
90 1HD ARG 14 2HD ARG 14 19.396 0.791 0.235
91 2HD ARG 14 1HD ARG 14 19.744 0.159 1.841
92 HE ARG 14 HE ARG 14 17.133 1.195 0.900
93 1HH1 ARG 14 2HH1 ARG 14 16.867 2.115 3.455
94 2HH1 ARG 14 1HH1 ARG 14 16.570 0.757 4.480
95 1HH2 ARG 14 1HH2 ARG 14 17.805 -1.513 2.093
96 2HH2 ARG 14 2HH2 ARG 14 17.132 -1.386 3.681
97 H GLY 15 H GLY 15 23.795 3.193 3.649
98 1HA GLY 15 2HA GLY 15 26.101 2.892 3.345
99 2HA GLY 15 1HA GLY 15 25.856 2.917 1.607
100 H ASN 16 H ASN 16 24.588 5.392 1.476
101 HA ASN 16 HA ASN 16 26.259 7.261 0.699
102 1HB ASN 16 2HB ASN 16 24.787 9.059 1.828
103 2HB ASN 16 1HB ASN 16 23.988 7.897 0.798
104 1HD2 ASN 16 2HD2 ASN 16 23.365 7.468 4.828
105 2HD2 ASN 16 1HD2 ASN 16 24.869 8.063 4.389
106 H THR 17 H THR 17 25.956 6.769 4.167
107 HA THR 17 HA THR 17 27.983 8.817 4.689
108 HB THR 17 HB THR 17 27.189 7.981 7.169
109 HG1 THR 17 HG1 THR 17 25.838 6.453 6.652
110 1HG2 THR 17 3HG2 THR 17 25.381 9.646 5.302
111 2HG2 THR 17 2HG2 THR 17 25.372 9.671 7.055
112 3HG2 THR 17 1HG2 THR 17 26.750 10.304 6.176
113 H LEU 18 H LEU 18 29.876 8.046 4.268
114 HA LEU 18 HA LEU 18 31.751 6.589 4.197
115 1HB LEU 18 2HB LEU 18 31.253 6.873 7.171
116 2HB LEU 18 1HB LEU 18 32.800 6.708 6.395
117 HG LEU 18 HG LEU 18 30.875 9.084 6.185
118 1HD1 LEU 18 1HD1 LEU 18 32.217 9.014 8.249
119 2HD1 LEU 18 3HD1 LEU 18 33.692 8.883 7.317
120 3HD1 LEU 18 2HD1 LEU 18 32.730 10.344 7.229
121 1HD2 LEU 18 1HD2 LEU 18 33.528 8.724 4.700
122 2HD2 LEU 18 3HD2 LEU 18 31.953 8.756 3.947
123 3HD2 LEU 18 2HD2 LEU 18 32.581 10.188 4.725
124 H SER 19 H SER 19 29.964 4.804 3.530
125 HA SER 19 HA SER 19 30.041 2.595 5.461
126 1HB SER 19 2HB SER 19 28.561 1.514 3.734
127 2HB SER 19 1HB SER 19 27.999 3.139 4.179
128 HG SER 19 HG SER 19 29.741 2.499 2.037
129 H GLY 20 H GLY 20 32.553 3.018 5.006
130 1HA GLY 20 2HA GLY 20 33.762 0.678 4.269
131 2HA GLY 20 1HA GLY 20 33.514 1.431 2.700
132 H ILE 21 H ILE 21 36.048 0.758 3.668
133 HA ILE 21 HA ILE 21 37.243 3.503 4.042
134 HB ILE 21 HB ILE 21 38.425 0.874 5.048
135 1HG1 ILE 21 2HG1 ILE 21 36.476 1.476 6.499
136 2HG1 ILE 21 1HG1 ILE 21 37.975 1.664 7.377
137 1HG2 ILE 21 3HG2 ILE 21 39.417 3.706 5.439
138 2HG2 ILE 21 2HG2 ILE 21 40.099 2.288 6.214
139 3HG2 ILE 21 1HG2 ILE 21 40.167 2.448 4.472
140 1HD1 ILE 21 1HD1 ILE 21 37.937 4.117 6.973
141 2HD1 ILE 21 3HD1 ILE 21 36.437 3.930 6.078
142 3HD1 ILE 21 2HD1 ILE 21 36.481 3.586 7.794
143 H LEU 22 H LEU 22 38.814 4.008 2.656
144 HA LEU 22 HA LEU 22 39.157 2.677 0.201
145 1HB LEU 22 2HB LEU 22 39.352 5.108 0.438
146 2HB LEU 22 1HB LEU 22 40.575 4.933 1.669
147 HG LEU 22 HG LEU 22 42.054 3.908 0.025
148 1HD1 LEU 22 3HD1 LEU 22 39.937 4.863 -1.974
149 2HD1 LEU 22 2HD1 LEU 22 41.524 4.309 -2.458
150 3HD1 LEU 22 1HD1 LEU 22 40.394 3.196 -1.714
151 1HD2 LEU 22 2HD2 LEU 22 41.124 6.740 -0.602
152 2HD2 LEU 22 1HD2 LEU 22 42.337 6.281 0.583
153 3HD2 LEU 22 3HD2 LEU 22 42.659 6.068 -1.129
154 H TRP 23 H TRP 23 40.917 1.463 -0.522
155 HA TRP 23 HA TRP 23 42.864 0.656 1.509
156 1HB TRP 23 2HB TRP 23 40.947 -1.077 0.021
157 2HB TRP 23 1HB TRP 23 42.546 -1.739 0.272
158 HD1 TRP 23 HD1 TRP 23 39.393 -1.107 2.262
159 HE1 TRP 23 HE1 TRP 23 39.806 -1.524 4.696
160 HE3 TRP 23 HE3 TRP 23 44.292 -1.338 1.953
161 HZ2 TRP 23 HZ2 TRP 23 42.110 -1.843 6.352
162 HZ3 TRP 23 HZ3 TRP 23 45.714 -1.627 3.932
163 HH2 TRP 23 HH2 TRP 23 44.596 -1.907 6.190
164 H PHE 24 H PHE 24 44.616 0.351 1.189
165 HA PHE 24 HA PHE 24 45.982 0.819 -1.346
166 1HB PHE 24 2HB PHE 24 46.484 1.039 1.593
167 2HB PHE 24 1HB PHE 24 47.891 0.431 0.829
168 HD1 PHE 24 HD1 PHE 24 45.368 2.914 -0.468
169 HD2 PHE 24 HD2 PHE 24 49.348 2.370 0.990
170 HE1 PHE 24 HE1 PHE 24 45.885 5.238 -0.999
171 HE2 PHE 24 HE2 PHE 24 49.858 4.710 0.457
172 HZ PHE 24 HZ PHE 24 48.129 6.152 -0.538
173 H TYR 25 H TYR 25 44.778 -1.405 -1.681
174 HA TYR 25 HA TYR 25 46.867 -3.460 -1.318
175 1HB TYR 25 2HB TYR 25 44.049 -3.545 -0.500
176 2HB TYR 25 1HB TYR 25 44.526 -4.954 -1.418
177 HD1 TYR 25 HD2 TYR 25 45.648 -2.813 1.469
178 HD2 TYR 25 HD1 TYR 25 45.891 -6.583 -0.478
179 HE1 TYR 25 HE2 TYR 25 46.922 -3.709 3.367
180 HE2 TYR 25 HE1 TYR 25 47.160 -7.474 1.410
181 HH TYR 25 HH TYR 25 48.526 -5.564 3.797
182 HA PRO 26 HA PRO 26 46.558 -3.550 -5.735
183 1HB PRO 26 2HB PRO 26 48.539 -5.332 -6.270
184 2HB PRO 26 1HB PRO 26 48.939 -3.731 -5.640
185 1HG PRO 26 2HG PRO 26 48.454 -6.301 -4.009
186 2HG PRO 26 1HG PRO 26 49.895 -5.281 -3.986
187 1HD PRO 26 2HD PRO 26 47.989 -4.832 -2.141
188 2HD PRO 26 1HD PRO 26 48.678 -3.408 -2.943
189 H SER 27 H SER 27 45.841 -5.987 -3.555
190 HA SER 27 HA SER 27 44.858 -7.919 -5.544
191 1HB SER 27 2HB SER 27 44.303 -9.168 -3.316
192 2HB SER 27 1HB SER 27 46.032 -8.850 -3.597
193 HG SER 27 HG SER 27 44.299 -7.706 -1.768
194 H GLY 28 H GLY 28 43.779 -5.211 -3.952
195 1HA GLY 28 2HA GLY 28 41.507 -4.405 -4.574
196 2HA GLY 28 1HA GLY 28 40.910 -6.039 -4.243
197 H CYS 29 H CYS 29 40.382 -6.521 -2.133
198 HA CYS 29 HA CYS 29 40.960 -4.473 -0.125
199 1HB CYS 29 2HB CYS 29 39.124 -6.852 0.140
200 2HB CYS 29 1HB CYS 29 39.166 -5.327 0.966
201 HA PRO 30 HA PRO 30 43.589 -7.454 1.923
202 1HB PRO 30 2HB PRO 30 44.059 -6.303 4.267
203 2HB PRO 30 1HB PRO 30 44.510 -5.459 2.782
204 1HG PRO 30 2HG PRO 30 41.851 -5.254 4.219
205 2HG PRO 30 1HG PRO 30 42.960 -3.942 4.024
206 1HD PRO 30 2HD PRO 30 40.972 -4.339 2.215
207 2HD PRO 30 1HD PRO 30 42.575 -3.923 1.593
208 H SER 31 H SER 31 43.705 -8.798 3.766
209 HA SER 31 HA SER 31 41.707 -10.554 4.135
210 1HB SER 31 2HB SER 31 43.745 -9.844 6.284
211 2HB SER 31 1HB SER 31 43.115 -11.450 5.874
212 HG SER 31 HG SER 31 44.728 -11.476 4.457
213 H GLY 32 H GLY 32 39.705 -10.052 4.702
214 1HA GLY 32 2HA GLY 32 38.213 -9.953 6.717
215 2HA GLY 32 1HA GLY 32 39.224 -8.656 7.324
216 H TRP 33 H TRP 33 38.993 -8.021 4.150
217 HA TRP 33 HA TRP 33 36.612 -6.279 4.504
218 1HB TRP 33 2HB TRP 33 39.063 -6.015 2.751
219 2HB TRP 33 1HB TRP 33 37.783 -4.838 2.802
220 HD1 TRP 33 HD1 TRP 33 40.404 -6.377 5.311
221 HE1 TRP 33 HE1 TRP 33 40.909 -4.676 7.064
222 HE3 TRP 33 HE3 TRP 33 37.196 -2.885 3.751
223 HZ2 TRP 33 HZ2 TRP 33 40.055 -2.114 7.707
224 HZ3 TRP 33 HZ3 TRP 33 37.041 -0.764 4.936
225 HH2 TRP 33 HH2 TRP 33 38.502 -0.371 6.962
226 H HIS 34 H HIS 34 35.479 -5.889 2.365
227 HA HIS 34 HA HIS 34 35.832 -8.154 0.453
228 1HB HIS 34 2HB HIS 34 34.453 -8.832 2.454
229 2HB HIS 34 1HB HIS 34 33.226 -7.699 1.925
230 HD1 HIS 34 HD1 HIS 34 32.502 -8.251 -0.717
231 HD2 HIS 34 HD2 HIS 34 34.150 -11.279 1.580
232 HE1 HIS 34 HE1 HIS 34 31.889 -10.491 -1.741
233 H ASN 35 H ASN 35 36.224 -5.503 0.054
234 HA ASN 35 HA ASN 35 35.956 -3.736 -1.333
235 1HB ASN 35 2HB ASN 35 36.216 -5.733 -2.883
236 2HB ASN 35 1HB ASN 35 34.477 -5.665 -3.136
237 1HD2 ASN 35 2HD2 ASN 35 34.753 -2.562 -4.966
238 2HD2 ASN 35 1HD2 ASN 35 33.665 -3.484 -4.019
239 H CYS 36 H CYS 36 34.717 -2.040 -1.996
240 HA CYS 36 HA CYS 36 31.819 -2.198 -1.355
241 1HB CYS 36 2HB CYS 36 32.072 -0.312 -0.116
242 2HB CYS 36 1HB CYS 36 33.659 -0.960 0.099
243 H LYS 37 H LYS 37 34.241 -0.689 -3.412
244 HA LYS 37 HA LYS 37 32.017 0.109 -5.307
245 1HB LYS 37 2HB LYS 37 33.850 1.753 -4.380
246 2HB LYS 37 1HB LYS 37 34.873 1.000 -5.587
247 1HG LYS 37 2HG LYS 37 33.161 1.526 -7.342
248 2HG LYS 37 1HG LYS 37 32.194 2.326 -6.116
249 1HD LYS 37 2HD LYS 37 34.298 3.768 -5.609
250 2HD LYS 37 1HD LYS 37 34.943 3.131 -7.113
251 1HE LYS 37 2HE LYS 37 32.337 4.673 -6.842
252 2HE LYS 37 1HE LYS 37 33.838 5.305 -7.506
253 1HZ LYS 37 3HZ LYS 37 33.223 2.907 -8.797
254 2HZ LYS 37 2HZ LYS 37 31.845 3.907 -8.814
255 3HZ LYS 37 1HZ LYS 37 33.320 4.474 -9.438
256 H ALA 38 H ALA 38 31.631 -1.602 -6.616
257 HA ALA 38 HA ALA 38 33.599 -3.539 -7.400
258 1HB ALA 38 1HB ALA 38 30.915 -2.836 -8.659
259 2HB ALA 38 3HB ALA 38 31.841 -4.286 -9.001
260 3HB ALA 38 2HB ALA 38 31.180 -4.034 -7.392
261 H HIS 39 H HIS 39 33.985 -0.589 -8.097
262 HA HIS 39 HA HIS 39 34.961 -1.015 -10.885
263 1HB HIS 39 2HB HIS 39 33.931 1.642 -9.843
264 2HB HIS 39 1HB HIS 39 34.097 1.156 -11.518
265 HD1 HIS 39 HD1 HIS 39 32.607 -1.508 -11.351
266 HD2 HIS 39 HD2 HIS 39 31.353 1.988 -9.467
267 HE1 HIS 39 HE1 HIS 39 30.173 -1.623 -10.933
268 H GLY 40 H GLY 40 35.792 -0.403 -7.713
269 1HA GLY 40 2HA GLY 40 38.367 -0.353 -7.547
270 2HA GLY 40 1HA GLY 40 38.258 1.115 -8.470
271 HA PRO 41 HA PRO 41 38.071 3.254 -8.336
272 1HB PRO 41 2HB PRO 41 39.450 5.401 -7.359
273 2HB PRO 41 1HB PRO 41 37.706 5.250 -7.139
274 1HG PRO 41 2HG PRO 41 39.878 4.297 -5.194
275 2HG PRO 41 1HG PRO 41 38.568 5.423 -4.846
276 1HD PRO 41 2HD PRO 41 38.198 2.863 -4.269
277 2HD PRO 41 1HD PRO 41 36.861 3.739 -5.028
278 H ASN 42 H ASN 42 40.669 4.354 -8.929
279 HA ASN 42 HA ASN 42 42.269 1.907 -8.685
280 1HB ASN 42 2HB ASN 42 41.860 3.067 -11.005
281 2HB ASN 42 1HB ASN 42 42.823 4.406 -10.383
282 1HD2 ASN 42 2HD2 ASN 42 44.833 0.858 -10.654
283 2HD2 ASN 42 1HD2 ASN 42 43.242 0.827 -10.053
284 H ILE 43 H ILE 43 41.641 4.688 -7.151
285 HA ILE 43 HA ILE 43 44.377 5.076 -6.546
286 HB ILE 43 HB ILE 43 42.023 6.784 -5.500
287 1HG1 ILE 43 2HG1 ILE 43 43.853 7.186 -7.949
288 2HG1 ILE 43 1HG1 ILE 43 42.183 6.686 -8.046
289 1HG2 ILE 43 1HG2 ILE 43 44.187 7.133 -4.245
290 2HG2 ILE 43 3HG2 ILE 43 45.009 7.469 -5.756
291 3HG2 ILE 43 2HG2 ILE 43 43.770 8.557 -5.159
292 1HD1 ILE 43 1HD1 ILE 43 41.448 8.849 -7.042
293 2HD1 ILE 43 3HD1 ILE 43 43.121 9.379 -6.964
294 3HD1 ILE 43 2HD1 ILE 43 42.367 9.093 -8.514
295 H GLY 44 H GLY 44 43.116 2.844 -5.774
296 1HA GLY 44 2HA GLY 44 43.761 1.469 -3.830
297 2HA GLY 44 1HA GLY 44 43.153 2.775 -2.776
298 H TRP 45 H TRP 45 42.114 0.142 -2.981
299 HA TRP 45 HA TRP 45 39.569 0.389 -4.535
300 1HB TRP 45 2HB TRP 45 40.368 -1.806 -2.581
301 2HB TRP 45 1HB TRP 45 39.077 -1.890 -3.766
302 HD1 TRP 45 HD1 TRP 45 42.946 -1.707 -3.573
303 HE1 TRP 45 HE1 TRP 45 43.921 -2.616 -5.641
304 HE3 TRP 45 HE3 TRP 45 38.651 -2.310 -6.163
305 HZ2 TRP 45 HZ2 TRP 45 43.039 -3.450 -8.135
306 HZ3 TRP 45 HZ3 TRP 45 38.773 -3.193 -8.475
307 HH2 TRP 45 HH2 TRP 45 40.968 -3.763 -9.459
308 H CYS 46 H CYS 46 37.476 1.029 -3.486
309 HA CYS 46 HA CYS 46 37.881 1.687 -0.604
310 1HB CYS 46 2HB CYS 46 35.755 2.328 -2.636
311 2HB CYS 46 1HB CYS 46 35.555 2.730 -0.951
312 H CYS 47 H CYS 47 37.430 0.179 0.668
313 HA CYS 47 HA CYS 47 35.502 -1.923 -0.161
314 1HB CYS 47 2HB CYS 47 38.133 -2.067 1.238
315 2HB CYS 47 1HB CYS 47 37.084 -3.397 1.274
316 H LYS 48 H LYS 48 35.252 -3.339 2.085
317 HA LYS 48 HA LYS 48 35.013 -1.499 4.266
318 1HB LYS 48 2HB LYS 48 32.786 -1.502 4.605
319 2HB LYS 48 1HB LYS 48 32.897 -1.275 2.882
320 1HG LYS 48 2HG LYS 48 32.237 -3.831 4.352
321 2HG LYS 48 1HG LYS 48 31.214 -2.807 3.386
322 1HD LYS 48 2HD LYS 48 33.008 -3.109 1.563
323 2HD LYS 48 1HD LYS 48 33.615 -4.401 2.525
324 1HE LYS 48 2HE LYS 48 30.763 -4.434 1.453
325 2HE LYS 48 1HE LYS 48 32.076 -5.489 0.951
326 1HZ LYS 48 2HZ LYS 48 31.927 -5.645 3.712
327 2HZ LYS 48 1HZ LYS 48 30.339 -5.805 3.119
328 3HZ LYS 48 3HZ LYS 48 31.558 -6.850 2.575
329 H LYS 49 H LYS 49 34.057 -2.700 6.066
330 HA LYS 49 HA LYS 49 35.350 -5.416 6.189
331 1HB LYS 49 2HB LYS 49 34.321 -3.526 8.356
332 2HB LYS 49 1HB LYS 49 34.747 -5.193 8.722
333 1HG LYS 49 2HG LYS 49 37.015 -4.711 7.590
334 2HG LYS 49 1HG LYS 49 36.552 -3.015 7.605
335 1HD LYS 49 2HD LYS 49 36.297 -3.085 10.069
336 2HD LYS 49 1HD LYS 49 36.642 -4.806 10.079
337 1HE LYS 49 2HE LYS 49 38.919 -4.293 9.082
338 2HE LYS 49 1HE LYS 49 38.549 -2.584 9.279
339 1HZ LYS 49 1HZ LYS 49 37.986 -3.843 11.692
340 2HZ LYS 49 3HZ LYS 49 39.522 -4.360 11.196
341 3HZ LYS 49 2HZ LYS 49 39.191 -2.702 11.338
No H/Q in entry = 341
Start of MODEL 19
1 1H GLY 1 2H GLY 1 42.060 5.946 8.133
2 2H GLY 1 1H GLY 1 42.709 4.382 7.997
3 3H GLY 1 3H GLY 1 43.672 5.733 7.624
4 1HA GLY 1 2HA GLY 1 43.003 5.659 5.519
5 2HA GLY 1 1HA GLY 1 41.987 4.270 5.917
6 H VAL 2 H VAL 2 41.309 6.416 4.082
7 HA VAL 2 HA VAL 2 39.293 8.010 5.517
8 HB VAL 2 HB VAL 2 39.847 7.898 2.514
9 1HG1 VAL 2 1HG1 VAL 2 37.721 9.021 3.134
10 2HG1 VAL 2 3HG1 VAL 2 38.586 10.092 4.222
11 3HG1 VAL 2 2HG1 VAL 2 38.870 10.176 2.494
12 1HG2 VAL 2 3HG2 VAL 2 41.126 9.747 4.591
13 2HG2 VAL 2 2HG2 VAL 2 41.970 8.491 3.708
14 3HG2 VAL 2 1HG2 VAL 2 41.335 9.875 2.852
15 HA PRO 3 HA PRO 3 36.129 5.182 3.985
16 1HB PRO 3 2HB PRO 3 33.909 6.340 4.889
17 2HB PRO 3 1HB PRO 3 35.031 5.615 6.043
18 1HG PRO 3 2HG PRO 3 34.968 8.557 5.077
19 2HG PRO 3 1HG PRO 3 34.863 7.997 6.748
20 1HD PRO 3 2HD PRO 3 37.268 8.688 5.703
21 2HD PRO 3 1HD PRO 3 37.169 7.281 6.782
22 H CYS 4 H CYS 4 35.175 5.056 2.076
23 HA CYS 4 HA CYS 4 34.648 7.629 0.641
24 1HB CYS 4 2HB CYS 4 35.214 5.878 -1.398
25 2HB CYS 4 1HB CYS 4 36.370 6.946 -0.674
26 H LEU 5 H LEU 5 33.363 7.160 -1.407
27 HA LEU 5 HA LEU 5 30.833 5.888 -0.560
28 1HB LEU 5 2HB LEU 5 30.856 8.271 -1.416
29 2HB LEU 5 1HB LEU 5 31.499 7.715 -2.941
30 HG LEU 5 HG LEU 5 28.841 6.570 -1.940
31 1HD1 LEU 5 3HD1 LEU 5 29.220 9.197 -3.468
32 2HD1 LEU 5 2HD1 LEU 5 27.681 8.433 -3.113
33 3HD1 LEU 5 1HD1 LEU 5 28.661 9.073 -1.810
34 1HD2 LEU 5 3HD2 LEU 5 29.925 5.627 -4.078
35 2HD2 LEU 5 2HD2 LEU 5 28.389 6.393 -4.365
36 3HD2 LEU 5 1HD2 LEU 5 29.875 7.237 -4.752
37 H CYS 6 H CYS 6 29.862 4.353 -1.943
38 HA CYS 6 HA CYS 6 31.481 3.167 -4.048
39 1HB CYS 6 2HB CYS 6 30.321 1.464 -1.830
40 2HB CYS 6 1HB CYS 6 31.454 0.988 -3.011
41 H ASP 7 H ASP 7 30.176 1.027 -4.694
42 HA ASP 7 HA ASP 7 27.674 2.061 -5.783
43 1HB ASP 7 2HB ASP 7 29.033 0.615 -7.243
44 2HB ASP 7 1HB ASP 7 29.079 -0.666 -6.055
45 H SER 8 H SER 8 28.679 -0.466 -3.564
46 HA SER 8 HA SER 8 25.885 -0.708 -2.533
47 1HB SER 8 2HB SER 8 28.270 -2.637 -2.311
48 2HB SER 8 1HB SER 8 26.661 -2.949 -1.646
49 HG SER 8 HG SER 8 26.001 -3.431 -3.623
50 H ASP 9 H ASP 9 27.691 1.451 -1.974
51 HA ASP 9 HA ASP 9 28.984 1.061 0.579
52 1HB ASP 9 2HB ASP 9 29.929 2.824 -0.463
53 2HB ASP 9 1HB ASP 9 28.510 3.392 -1.279
54 H GLY 10 H GLY 10 27.275 -0.010 1.661
55 1HA GLY 10 2HA GLY 10 25.601 -0.079 3.343
56 2HA GLY 10 1HA GLY 10 25.974 1.614 3.617
57 HA PRO 11 HA PRO 11 22.838 1.796 0.046
58 1HB PRO 11 2HB PRO 11 21.707 -0.384 -1.039
59 2HB PRO 11 1HB PRO 11 23.428 -0.053 -1.316
60 1HG PRO 11 2HG PRO 11 22.222 -1.743 0.967
61 2HG PRO 11 1HG PRO 11 23.348 -2.308 -0.275
62 1HD PRO 11 2HD PRO 11 24.368 -1.436 2.041
63 2HD PRO 11 1HD PRO 11 25.134 -0.892 0.535
64 H ARG 12 H ARG 12 22.185 1.407 2.906
65 HA ARG 12 HA ARG 12 19.252 1.618 2.734
66 1HB ARG 12 2HB ARG 12 20.883 -0.227 4.471
67 2HB ARG 12 1HB ARG 12 19.336 0.351 5.052
68 1HG ARG 12 2HG ARG 12 18.324 -0.462 2.851
69 2HG ARG 12 1HG ARG 12 19.877 -1.216 2.493
70 1HD ARG 12 2HD ARG 12 19.804 -2.542 4.463
71 2HD ARG 12 1HD ARG 12 18.378 -1.692 5.076
72 HE ARG 12 HE ARG 12 18.215 -3.999 3.531
73 1HH1 ARG 12 1HH2 ARG 12 16.060 -1.921 4.455
74 2HH1 ARG 12 2HH2 ARG 12 15.184 -1.717 2.980
75 1HH2 ARG 12 2HH1 ARG 12 17.691 -3.283 1.081
76 2HH2 ARG 12 1HH1 ARG 12 16.143 -2.528 0.996
77 HA PRO 13 HA PRO 13 19.964 5.116 5.311
78 1HB PRO 13 2HB PRO 13 17.812 5.305 6.935
79 2HB PRO 13 1HB PRO 13 17.671 5.424 5.171
80 1HG PRO 13 2HG PRO 13 17.451 2.870 6.893
81 2HG PRO 13 1HG PRO 13 16.179 3.536 5.861
82 1HD PRO 13 2HD PRO 13 17.781 1.684 4.805
83 2HD PRO 13 1HD PRO 13 17.472 3.134 3.833
84 H ARG 14 H ARG 14 21.753 3.676 6.104
85 HA ARG 14 HA ARG 14 21.807 3.761 9.079
86 1HB ARG 14 2HB ARG 14 22.947 1.499 7.344
87 2HB ARG 14 1HB ARG 14 23.070 1.604 9.096
88 1HG ARG 14 2HG ARG 14 20.523 1.610 9.190
89 2HG ARG 14 1HG ARG 14 20.508 1.288 7.469
90 1HD ARG 14 2HD ARG 14 21.837 -0.525 9.526
91 2HD ARG 14 1HD ARG 14 20.275 -0.814 8.763
92 HE ARG 14 HE ARG 14 22.502 -0.408 6.890
93 1HH1 ARG 14 1HH2 ARG 14 19.998 -1.927 6.396
94 2HH1 ARG 14 2HH2 ARG 14 20.536 -3.572 6.412
95 1HH2 ARG 14 2HH1 ARG 14 23.550 -2.728 8.000
96 2HH2 ARG 14 1HH1 ARG 14 22.624 -4.046 7.376
97 H GLY 15 H GLY 15 23.758 4.761 9.709
98 1HA GLY 15 2HA GLY 15 25.942 5.679 9.464
99 2HA GLY 15 1HA GLY 15 26.075 4.863 7.910
100 H ASN 16 H ASN 16 23.680 5.928 6.868
101 HA ASN 16 HA ASN 16 22.667 7.731 5.797
102 1HB ASN 16 2HB ASN 16 24.735 9.537 7.263
103 2HB ASN 16 1HB ASN 16 23.510 10.107 6.167
104 1HD2 ASN 16 2HD2 ASN 16 21.974 8.424 9.540
105 2HD2 ASN 16 1HD2 ASN 16 23.201 7.591 8.702
106 H THR 17 H THR 17 26.190 8.135 6.063
107 HA THR 17 HA THR 17 26.510 7.514 3.206
108 HB THR 17 HB THR 17 27.442 10.232 4.392
109 HG1 THR 17 HG1 THR 17 25.112 9.366 3.255
110 1HG2 THR 17 3HG2 THR 17 27.340 9.219 1.485
111 2HG2 THR 17 2HG2 THR 17 27.917 10.785 2.016
112 3HG2 THR 17 1HG2 THR 17 28.841 9.345 2.396
113 H LEU 18 H LEU 18 28.786 7.037 2.794
114 HA LEU 18 HA LEU 18 30.923 6.227 3.310
115 1HB LEU 18 2HB LEU 18 30.534 7.445 6.097
116 2HB LEU 18 1HB LEU 18 32.037 6.958 5.384
117 HG LEU 18 HG LEU 18 30.304 9.180 4.199
118 1HD1 LEU 18 3HD1 LEU 18 32.756 9.373 6.012
119 2HD1 LEU 18 2HD1 LEU 18 31.975 10.740 5.242
120 3HD1 LEU 18 1HD1 LEU 18 31.118 9.805 6.455
121 1HD2 LEU 18 2HD2 LEU 18 31.939 8.088 2.598
122 2HD2 LEU 18 1HD2 LEU 18 32.372 9.748 2.946
123 3HD2 LEU 18 3HD2 LEU 18 33.234 8.439 3.721
124 H SER 19 H SER 19 30.910 4.058 3.392
125 HA SER 19 HA SER 19 30.215 2.734 5.964
126 1HB SER 19 2HB SER 19 28.176 2.836 4.289
127 2HB SER 19 1HB SER 19 29.089 1.649 3.350
128 HG SER 19 HG SER 19 27.700 1.289 5.626
129 H GLY 20 H GLY 20 32.754 3.249 4.545
130 1HA GLY 20 2HA GLY 20 33.928 0.655 4.834
131 2HA GLY 20 1HA GLY 20 33.743 1.031 3.113
132 H ILE 21 H ILE 21 36.272 0.791 3.594
133 HA ILE 21 HA ILE 21 37.321 3.580 3.917
134 HB ILE 21 HB ILE 21 38.646 1.076 5.018
135 1HG1 ILE 21 2HG1 ILE 21 36.692 1.877 6.451
136 2HG1 ILE 21 1HG1 ILE 21 38.220 1.897 7.298
137 1HG2 ILE 21 3HG2 ILE 21 39.603 3.935 5.136
138 2HG2 ILE 21 2HG2 ILE 21 40.327 2.598 6.022
139 3HG2 ILE 21 1HG2 ILE 21 40.345 2.604 4.270
140 1HD1 ILE 21 1HD1 ILE 21 36.935 4.323 5.986
141 2HD1 ILE 21 3HD1 ILE 21 36.927 3.986 7.705
142 3HD1 ILE 21 2HD1 ILE 21 38.435 4.355 6.893
143 H LEU 22 H LEU 22 38.980 4.038 2.494
144 HA LEU 22 HA LEU 22 39.087 2.418 0.123
145 1HB LEU 22 2HB LEU 22 40.948 3.970 -0.590
146 2HB LEU 22 1HB LEU 22 39.462 4.760 -0.143
147 HG LEU 22 HG LEU 22 40.504 5.183 2.137
148 1HD1 LEU 22 2HD1 LEU 22 43.070 4.489 0.624
149 2HD1 LEU 22 1HD1 LEU 22 43.025 5.286 2.182
150 3HD1 LEU 22 3HD1 LEU 22 42.484 3.641 2.037
151 1HD2 LEU 22 3HD2 LEU 22 41.762 6.452 -0.346
152 2HD2 LEU 22 2HD2 LEU 22 40.254 6.940 0.396
153 3HD2 LEU 22 1HD2 LEU 22 41.765 7.188 1.249
154 H TRP 23 H TRP 23 40.957 1.303 -0.713
155 HA TRP 23 HA TRP 23 42.903 0.461 1.283
156 1HB TRP 23 2HB TRP 23 40.876 -1.288 -0.045
157 2HB TRP 23 1HB TRP 23 42.478 -1.974 0.090
158 HD1 TRP 23 HD1 TRP 23 39.492 -1.232 2.275
159 HE1 TRP 23 HE1 TRP 23 40.079 -1.454 4.696
160 HE3 TRP 23 HE3 TRP 23 44.359 -1.574 1.674
161 HZ2 TRP 23 HZ2 TRP 23 42.427 -1.671 6.219
162 HZ3 TRP 23 HZ3 TRP 23 45.904 -1.739 3.596
163 HH2 TRP 23 HH2 TRP 23 44.914 -1.808 5.928
164 H PHE 24 H PHE 24 44.640 0.096 0.900
165 HA PHE 24 HA PHE 24 45.903 0.560 -1.671
166 1HB PHE 24 2HB PHE 24 46.491 0.816 1.238
167 2HB PHE 24 1HB PHE 24 47.889 0.319 0.369
168 HD1 PHE 24 HD1 PHE 24 45.023 2.764 0.185
169 HD2 PHE 24 HD2 PHE 24 49.151 2.105 -0.637
170 HE1 PHE 24 HE1 PHE 24 45.257 5.100 -0.510
171 HE2 PHE 24 HE2 PHE 24 49.383 4.447 -1.332
172 HZ PHE 24 HZ PHE 24 47.439 5.952 -1.270
173 H TYR 25 H TYR 25 44.685 -1.962 -1.644
174 HA TYR 25 HA TYR 25 46.990 -3.759 -1.458
175 1HB TYR 25 2HB TYR 25 44.140 -4.142 -0.645
176 2HB TYR 25 1HB TYR 25 44.778 -5.474 -1.581
177 HD1 TYR 25 HD1 TYR 25 46.820 -3.314 0.532
178 HD2 TYR 25 HD2 TYR 25 44.939 -7.084 0.252
179 HE1 TYR 25 HE1 TYR 25 48.042 -4.056 2.546
180 HE2 TYR 25 HE2 TYR 25 46.155 -7.851 2.242
181 HH TYR 25 HH TYR 25 48.244 -7.269 3.506
182 HA PRO 26 HA PRO 26 46.595 -3.977 -5.650
183 1HB PRO 26 2HB PRO 26 48.290 -6.092 -6.247
184 2HB PRO 26 1HB PRO 26 48.933 -4.576 -5.596
185 1HG PRO 26 2HG PRO 26 48.047 -7.064 -4.012
186 2HG PRO 26 1HG PRO 26 49.607 -6.238 -3.932
187 1HD PRO 26 2HD PRO 26 47.649 -5.578 -2.137
188 2HD PRO 26 1HD PRO 26 48.600 -4.242 -2.813
189 H SER 27 H SER 27 45.648 -6.312 -3.495
190 HA SER 27 HA SER 27 44.173 -8.047 -5.360
191 1HB SER 27 2HB SER 27 43.731 -9.239 -3.065
192 2HB SER 27 1HB SER 27 45.425 -9.200 -3.595
193 HG SER 27 HG SER 27 44.144 -7.774 -1.589
194 H GLY 28 H GLY 28 43.501 -5.152 -4.722
195 1HA GLY 28 2HA GLY 28 41.336 -4.103 -4.685
196 2HA GLY 28 1HA GLY 28 40.625 -5.650 -4.287
197 H CYS 29 H CYS 29 40.543 -6.345 -2.205
198 HA CYS 29 HA CYS 29 41.020 -4.341 -0.139
199 1HB CYS 29 2HB CYS 29 39.543 -6.957 0.068
200 2HB CYS 29 1HB CYS 29 39.487 -5.568 1.085
201 HA PRO 30 HA PRO 30 43.590 -7.422 2.045
202 1HB PRO 30 2HB PRO 30 43.986 -6.260 4.370
203 2HB PRO 30 1HB PRO 30 44.504 -5.355 2.930
204 1HG PRO 30 2HG PRO 30 41.810 -5.222 4.273
205 2HG PRO 30 1HG PRO 30 42.904 -3.903 4.096
206 1HD PRO 30 2HD PRO 30 40.914 -4.417 2.263
207 2HD PRO 30 1HD PRO 30 42.469 -3.793 1.689
208 H SER 31 H SER 31 43.517 -8.770 3.811
209 HA SER 31 HA SER 31 41.295 -10.352 4.061
210 1HB SER 31 2HB SER 31 42.669 -11.244 6.106
211 2HB SER 31 1HB SER 31 43.525 -11.196 4.554
212 HG SER 31 HG SER 31 43.379 -9.010 6.363
213 H GLY 32 H GLY 32 39.470 -9.917 4.886
214 1HA GLY 32 2HA GLY 32 38.156 -9.771 7.048
215 2HA GLY 32 1HA GLY 32 39.236 -8.464 7.520
216 H TRP 33 H TRP 33 38.871 -7.942 4.408
217 HA TRP 33 HA TRP 33 36.535 -6.147 4.726
218 1HB TRP 33 2HB TRP 33 38.944 -6.040 2.882
219 2HB TRP 33 1HB TRP 33 37.707 -4.814 2.920
220 HD1 TRP 33 HD1 TRP 33 40.356 -6.322 5.430
221 HE1 TRP 33 HE1 TRP 33 40.992 -4.552 7.069
222 HE3 TRP 33 HE3 TRP 33 37.277 -2.766 3.755
223 HZ2 TRP 33 HZ2 TRP 33 40.298 -1.918 7.571
224 HZ3 TRP 33 HZ3 TRP 33 37.277 -0.580 4.812
225 HH2 TRP 33 HH2 TRP 33 38.816 -0.139 6.760
226 H HIS 34 H HIS 34 35.522 -5.793 2.437
227 HA HIS 34 HA HIS 34 35.723 -8.229 0.764
228 1HB HIS 34 2HB HIS 34 34.217 -8.742 2.691
229 2HB HIS 34 1HB HIS 34 33.185 -7.402 2.230
230 HD1 HIS 34 HD1 HIS 34 34.388 -10.701 0.911
231 HD2 HIS 34 HD2 HIS 34 31.297 -7.981 0.348
232 HE1 HIS 34 HE1 HIS 34 32.696 -11.703 -0.641
233 H ASN 35 H ASN 35 36.198 -5.442 0.393
234 HA ASN 35 HA ASN 35 36.008 -3.819 -1.212
235 1HB ASN 35 2HB ASN 35 36.241 -5.894 -2.668
236 2HB ASN 35 1HB ASN 35 34.485 -5.950 -2.779
237 1HD2 ASN 35 2HD2 ASN 35 34.293 -3.064 -4.815
238 2HD2 ASN 35 1HD2 ASN 35 33.418 -3.992 -3.673
239 H CYS 36 H CYS 36 34.566 -2.208 -2.094
240 HA CYS 36 HA CYS 36 31.800 -2.405 -0.969
241 1HB CYS 36 2HB CYS 36 32.029 -0.164 -0.378
242 2HB CYS 36 1HB CYS 36 33.523 -0.917 0.096
243 H LYS 37 H LYS 37 33.652 -1.111 -3.626
244 HA LYS 37 HA LYS 37 31.212 -1.054 -5.371
245 1HB LYS 37 2HB LYS 37 31.993 1.355 -4.788
246 2HB LYS 37 1HB LYS 37 33.533 0.953 -5.476
247 1HG LYS 37 2HG LYS 37 32.675 0.867 -7.660
248 2HG LYS 37 1HG LYS 37 31.039 0.548 -7.139
249 1HD LYS 37 2HD LYS 37 30.980 2.918 -6.194
250 2HD LYS 37 1HD LYS 37 32.585 3.171 -6.854
251 1HE LYS 37 2HE LYS 37 31.726 2.845 -9.144
252 2HE LYS 37 1HE LYS 37 30.143 2.411 -8.512
253 1HZ LYS 37 3HZ LYS 37 30.845 4.850 -7.406
254 2HZ LYS 37 2HZ LYS 37 31.172 4.946 -9.072
255 3HZ LYS 37 1HZ LYS 37 29.618 4.523 -8.543
256 H ALA 38 H ALA 38 31.655 -2.256 -7.251
257 HA ALA 38 HA ALA 38 34.322 -3.500 -7.357
258 1HB ALA 38 2HB ALA 38 31.984 -3.640 -9.310
259 2HB ALA 38 1HB ALA 38 33.403 -4.668 -9.341
260 3HB ALA 38 3HB ALA 38 32.268 -4.785 -8.004
261 H HIS 39 H HIS 39 33.873 -0.486 -7.766
262 HA HIS 39 HA HIS 39 35.493 -0.330 -10.257
263 1HB HIS 39 2HB HIS 39 33.244 1.623 -9.742
264 2HB HIS 39 1HB HIS 39 34.072 1.315 -11.256
265 HD1 HIS 39 HD1 HIS 39 33.710 -1.539 -11.732
266 HD2 HIS 39 HD2 HIS 39 30.869 0.661 -9.634
267 HE1 HIS 39 HE1 HIS 39 31.544 -2.718 -11.800
268 H GLY 40 H GLY 40 37.324 0.354 -9.552
269 1HA GLY 40 2HA GLY 40 39.012 1.705 -8.737
270 2HA GLY 40 1HA GLY 40 37.862 3.036 -8.813
271 HA PRO 41 HA PRO 41 38.744 4.818 -7.543
272 1HB PRO 41 2HB PRO 41 40.801 5.587 -5.831
273 2HB PRO 41 1HB PRO 41 39.095 5.888 -5.478
274 1HG PRO 41 2HG PRO 41 40.698 3.359 -4.723
275 2HG PRO 41 1HG PRO 41 39.916 4.494 -3.606
276 1HD PRO 41 2HD PRO 41 38.422 2.458 -4.304
277 2HD PRO 41 1HD PRO 41 37.701 4.030 -4.609
278 H ASN 42 H ASN 42 41.192 5.663 -8.146
279 HA ASN 42 HA ASN 42 42.410 3.352 -9.500
280 1HB ASN 42 2HB ASN 42 42.940 6.377 -9.818
281 2HB ASN 42 1HB ASN 42 43.578 5.109 -10.833
282 1HD2 ASN 42 2HD2 ASN 42 39.692 4.995 -11.647
283 2HD2 ASN 42 1HD2 ASN 42 40.346 4.229 -10.277
284 H ILE 43 H ILE 43 42.468 5.111 -6.762
285 HA ILE 43 HA ILE 43 45.267 4.804 -6.541
286 HB ILE 43 HB ILE 43 43.474 6.312 -4.548
287 1HG1 ILE 43 2HG1 ILE 43 43.067 7.292 -6.816
288 2HG1 ILE 43 1HG1 ILE 43 43.942 8.421 -5.821
289 1HG2 ILE 43 2HG2 ILE 43 46.449 6.692 -5.160
290 2HG2 ILE 43 1HG2 ILE 43 45.508 7.688 -4.064
291 3HG2 ILE 43 3HG2 ILE 43 45.765 5.993 -3.710
292 1HD1 ILE 43 3HD1 ILE 43 45.226 6.629 -7.940
293 2HD1 ILE 43 2HD1 ILE 43 44.904 8.345 -8.102
294 3HD1 ILE 43 1HD1 ILE 43 46.085 7.786 -6.940
295 H GLY 44 H GLY 44 43.573 2.670 -6.313
296 1HA GLY 44 2HA GLY 44 44.443 0.694 -4.905
297 2HA GLY 44 1HA GLY 44 43.771 1.640 -3.546
298 H TRP 45 H TRP 45 41.912 0.722 -3.146
299 HA TRP 45 HA TRP 45 39.696 0.714 -5.151
300 1HB TRP 45 2HB TRP 45 40.011 -1.826 -3.526
301 2HB TRP 45 1HB TRP 45 39.149 -1.597 -5.035
302 HD1 TRP 45 HD1 TRP 45 42.740 -1.841 -3.671
303 HE1 TRP 45 HE1 TRP 45 44.277 -2.738 -5.357
304 HE3 TRP 45 HE3 TRP 45 39.500 -1.972 -7.571
305 HZ2 TRP 45 HZ2 TRP 45 44.208 -3.426 -8.037
306 HZ3 TRP 45 HZ3 TRP 45 40.336 -2.797 -9.754
307 HH2 TRP 45 HH2 TRP 45 42.690 -3.520 -9.982
308 H CYS 46 H CYS 46 37.434 0.469 -3.749
309 HA CYS 46 HA CYS 46 38.069 1.247 -0.910
310 1HB CYS 46 2HB CYS 46 35.881 2.070 -2.835
311 2HB CYS 46 1HB CYS 46 35.658 2.213 -1.112
312 H CYS 47 H CYS 47 37.382 0.075 0.534
313 HA CYS 47 HA CYS 47 35.418 -2.041 -0.047
314 1HB CYS 47 2HB CYS 47 38.080 -2.212 1.379
315 2HB CYS 47 1HB CYS 47 36.995 -3.516 1.389
316 H LYS 48 H LYS 48 35.254 -3.229 2.289
317 HA LYS 48 HA LYS 48 35.085 -1.217 4.348
318 1HB LYS 48 2HB LYS 48 32.874 -1.258 4.780
319 2HB LYS 48 1HB LYS 48 32.922 -1.080 3.043
320 1HG LYS 48 2HG LYS 48 32.265 -3.535 4.669
321 2HG LYS 48 1HG LYS 48 31.267 -2.580 3.599
322 1HD LYS 48 2HD LYS 48 33.048 -3.067 1.838
323 2HD LYS 48 1HD LYS 48 33.647 -4.274 2.911
324 1HE LYS 48 2HE LYS 48 30.799 -4.320 1.792
325 2HE LYS 48 1HE LYS 48 32.066 -5.483 1.436
326 1HZ LYS 48 1HZ LYS 48 31.819 -5.356 4.200
327 2HZ LYS 48 3HZ LYS 48 30.246 -5.483 3.559
328 3HZ LYS 48 2HZ LYS 48 31.427 -6.651 3.182
329 H LYS 49 H LYS 49 34.100 -2.299 6.249
330 HA LYS 49 HA LYS 49 35.535 -4.866 6.707
331 1HB LYS 49 2HB LYS 49 34.124 -2.827 8.478
332 2HB LYS 49 1HB LYS 49 34.549 -4.389 9.139
333 1HG LYS 49 2HG LYS 49 36.626 -2.677 7.733
334 2HG LYS 49 1HG LYS 49 36.248 -2.439 9.429
335 1HD LYS 49 2HD LYS 49 36.685 -4.997 9.702
336 2HD LYS 49 1HD LYS 49 37.353 -4.947 8.081
337 1HE LYS 49 2HE LYS 49 39.129 -4.703 9.810
338 2HE LYS 49 1HE LYS 49 39.030 -3.264 8.816
339 1HZ LYS 49 1HZ LYS 49 37.257 -2.963 10.943
340 2HZ LYS 49 3HZ LYS 49 38.747 -3.475 11.576
341 3HZ LYS 49 2HZ LYS 49 38.664 -2.075 10.618
No H/Q in entry = 341
Start of MODEL 20
1 1H GLY 1 3H GLY 1 42.758 4.823 7.057
2 2H GLY 1 2H GLY 1 42.850 3.179 6.637
3 3H GLY 1 1H GLY 1 44.136 4.227 6.257
4 1HA GLY 1 2HA GLY 1 43.198 4.717 4.316
5 2HA GLY 1 1HA GLY 1 41.894 3.606 4.682
6 H VAL 2 H VAL 2 41.128 5.623 3.248
7 HA VAL 2 HA VAL 2 39.964 7.670 5.070
8 HB VAL 2 HB VAL 2 40.319 7.787 2.028
9 1HG1 VAL 2 1HG1 VAL 2 38.466 9.209 2.870
10 2HG1 VAL 2 3HG1 VAL 2 39.564 9.987 4.004
11 3HG1 VAL 2 2HG1 VAL 2 39.788 10.190 2.277
12 1HG2 VAL 2 1HG2 VAL 2 41.988 9.146 4.209
13 2HG2 VAL 2 3HG2 VAL 2 42.542 7.840 3.179
14 3HG2 VAL 2 2HG2 VAL 2 42.173 9.399 2.481
15 HA PRO 3 HA PRO 3 36.199 5.480 3.978
16 1HB PRO 3 2HB PRO 3 34.333 7.076 5.052
17 2HB PRO 3 1HB PRO 3 35.471 6.196 6.094
18 1HG PRO 3 2HG PRO 3 35.804 9.047 4.960
19 2HG PRO 3 1HG PRO 3 35.779 8.600 6.671
20 1HD PRO 3 2HD PRO 3 38.136 8.777 5.434
21 2HD PRO 3 1HD PRO 3 37.866 7.369 6.484
22 H CYS 4 H CYS 4 34.952 5.422 2.201
23 HA CYS 4 HA CYS 4 34.372 7.940 0.741
24 1HB CYS 4 2HB CYS 4 35.039 6.315 -1.351
25 2HB CYS 4 1HB CYS 4 36.126 7.457 -0.607
26 H LEU 5 H LEU 5 32.949 7.406 -1.253
27 HA LEU 5 HA LEU 5 30.771 5.656 -0.255
28 1HB LEU 5 2HB LEU 5 30.492 8.213 -1.006
29 2HB LEU 5 1HB LEU 5 30.639 7.586 -2.630
30 HG LEU 5 HG LEU 5 28.596 6.214 -2.352
31 1HD1 LEU 5 2HD1 LEU 5 28.573 7.193 0.548
32 2HD1 LEU 5 1HD1 LEU 5 27.276 6.296 -0.217
33 3HD1 LEU 5 3HD1 LEU 5 28.817 5.530 0.033
34 1HD2 LEU 5 2HD2 LEU 5 28.190 8.678 -2.858
35 2HD2 LEU 5 1HD2 LEU 5 26.900 8.003 -1.884
36 3HD2 LEU 5 3HD2 LEU 5 28.147 8.984 -1.139
37 H CYS 6 H CYS 6 29.960 4.067 -1.779
38 HA CYS 6 HA CYS 6 32.052 3.350 -3.764
39 1HB CYS 6 2HB CYS 6 30.346 1.291 -2.334
40 2HB CYS 6 1HB CYS 6 31.972 1.238 -2.959
41 H ASP 7 H ASP 7 30.377 0.892 -4.340
42 HA ASP 7 HA ASP 7 29.627 1.654 -6.956
43 1HB ASP 7 2HB ASP 7 28.566 -0.500 -7.103
44 2HB ASP 7 1HB ASP 7 29.851 -0.705 -5.926
45 H SER 8 H SER 8 27.900 2.128 -4.016
46 HA SER 8 HA SER 8 25.399 2.890 -5.452
47 1HB SER 8 2HB SER 8 25.311 1.500 -3.276
48 2HB SER 8 1HB SER 8 25.867 2.954 -2.423
49 HG SER 8 HG SER 8 24.141 4.077 -3.199
50 H ASP 9 H ASP 9 28.053 4.328 -5.381
51 HA ASP 9 HA ASP 9 27.607 6.883 -4.071
52 1HB ASP 9 2HB ASP 9 29.909 6.198 -4.330
53 2HB ASP 9 1HB ASP 9 29.752 5.820 -6.020
54 H GLY 10 H GLY 10 25.529 7.063 -4.920
55 1HA GLY 10 2HA GLY 10 25.436 8.828 -7.254
56 2HA GLY 10 1HA GLY 10 24.543 7.324 -7.468
57 HA PRO 11 HA PRO 11 21.105 9.181 -5.663
58 1HB PRO 11 2HB PRO 11 19.602 7.162 -4.743
59 2HB PRO 11 1HB PRO 11 20.150 7.106 -6.429
60 1HG PRO 11 2HG PRO 11 21.587 5.922 -3.954
61 2HG PRO 11 1HG PRO 11 21.028 5.029 -5.373
62 1HD PRO 11 2HD PRO 11 23.575 5.925 -5.322
63 2HD PRO 11 1HD PRO 11 22.652 6.119 -6.818
64 H ARG 12 H ARG 12 23.261 9.476 -3.894
65 HA ARG 12 HA ARG 12 21.846 9.415 -1.253
66 1HB ARG 12 2HB ARG 12 24.094 8.014 -1.800
67 2HB ARG 12 1HB ARG 12 24.827 9.520 -1.296
68 1HG ARG 12 2HG ARG 12 24.561 8.097 0.643
69 2HG ARG 12 1HG ARG 12 23.455 9.434 0.824
70 1HD ARG 12 2HD ARG 12 21.551 8.027 0.173
71 2HD ARG 12 1HD ARG 12 22.625 6.750 -0.383
72 HE ARG 12 HE ARG 12 22.674 7.526 2.496
73 1HH1 ARG 12 2HH1 ARG 12 23.533 5.105 0.553
74 2HH1 ARG 12 1HH1 ARG 12 22.606 3.835 1.276
75 1HH2 ARG 12 1HH2 ARG 12 20.771 6.094 3.248
76 2HH2 ARG 12 2HH2 ARG 12 21.004 4.426 2.871
77 HA PRO 13 HA PRO 13 22.519 13.823 -1.572
78 1HB PRO 13 2HB PRO 13 21.138 14.685 0.596
79 2HB PRO 13 1HB PRO 13 20.267 13.805 -0.672
80 1HG PRO 13 2HG PRO 13 21.619 12.600 1.817
81 2HG PRO 13 1HG PRO 13 19.902 12.522 1.410
82 1HD PRO 13 2HD PRO 13 21.543 10.529 0.643
83 2HD PRO 13 1HD PRO 13 20.300 11.085 -0.497
84 H ARG 14 H ARG 14 22.987 15.493 0.509
85 HA ARG 14 HA ARG 14 25.777 14.950 1.105
86 1HB ARG 14 2HB ARG 14 24.000 17.152 2.270
87 2HB ARG 14 1HB ARG 14 25.751 17.145 2.226
88 1HG ARG 14 2HG ARG 14 25.704 17.254 -0.259
89 2HG ARG 14 1HG ARG 14 23.946 17.247 -0.230
90 1HD ARG 14 2HD ARG 14 24.029 19.341 1.210
91 2HD ARG 14 1HD ARG 14 25.771 19.379 0.957
92 HE ARG 14 HE ARG 14 25.232 19.533 -1.531
93 1HH1 ARG 14 1HH2 ARG 14 22.461 19.276 -1.805
94 2HH1 ARG 14 2HH2 ARG 14 21.806 20.861 -1.604
95 1HH2 ARG 14 2HH1 ARG 14 24.722 22.053 -0.055
96 2HH2 ARG 14 1HH1 ARG 14 23.134 22.499 -0.576
97 H GLY 15 H GLY 15 26.635 14.896 3.298
98 1HA GLY 15 2HA GLY 15 25.579 14.765 5.761
99 2HA GLY 15 1HA GLY 15 24.932 13.260 5.096
100 H ASN 16 H ASN 16 26.939 12.533 3.502
101 HA ASN 16 HA ASN 16 29.023 11.477 3.336
102 1HB ASN 16 2HB ASN 16 29.835 13.686 4.597
103 2HB ASN 16 1HB ASN 16 29.900 12.641 6.009
104 1HD2 ASN 16 2HD2 ASN 16 32.756 12.310 3.236
105 2HD2 ASN 16 1HD2 ASN 16 31.580 13.538 3.146
106 H THR 17 H THR 17 27.857 9.603 3.611
107 HA THR 17 HA THR 17 27.661 8.358 6.266
108 HB THR 17 HB THR 17 26.788 6.960 3.693
109 HG1 THR 17 HG1 THR 17 25.419 8.530 3.321
110 1HG2 THR 17 3HG2 THR 17 25.415 7.428 6.404
111 2HG2 THR 17 2HG2 THR 17 24.874 6.340 5.138
112 3HG2 THR 17 1HG2 THR 17 26.334 5.973 6.041
113 H LEU 18 H LEU 18 29.294 7.079 6.952
114 HA LEU 18 HA LEU 18 31.524 6.368 5.296
115 1HB LEU 18 2HB LEU 18 30.744 6.051 8.145
116 2HB LEU 18 1HB LEU 18 31.588 4.644 7.553
117 HG LEU 18 HG LEU 18 33.446 6.009 6.751
118 1HD1 LEU 18 2HD1 LEU 18 31.945 8.387 7.969
119 2HD1 LEU 18 1HD1 LEU 18 33.574 8.452 7.332
120 3HD1 LEU 18 3HD1 LEU 18 32.230 8.160 6.256
121 1HD2 LEU 18 3HD2 LEU 18 33.533 5.153 9.062
122 2HD2 LEU 18 2HD2 LEU 18 34.355 6.697 8.956
123 3HD2 LEU 18 1HD2 LEU 18 32.748 6.608 9.664
124 H SER 19 H SER 19 30.709 5.288 3.534
125 HA SER 19 HA SER 19 29.350 2.695 3.915
126 1HB SER 19 2HB SER 19 28.583 4.275 2.093
127 2HB SER 19 1HB SER 19 30.152 4.086 1.306
128 HG SER 19 HG SER 19 29.508 1.658 1.682
129 H GLY 20 H GLY 20 32.664 3.681 3.415
130 1HA GLY 20 2HA GLY 20 33.559 0.963 3.598
131 2HA GLY 20 1HA GLY 20 33.608 1.480 1.926
132 H ILE 21 H ILE 21 35.898 0.784 3.693
133 HA ILE 21 HA ILE 21 37.143 3.547 3.877
134 HB ILE 21 HB ILE 21 38.221 0.889 4.902
135 1HG1 ILE 21 2HG1 ILE 21 36.288 1.765 6.286
136 2HG1 ILE 21 1HG1 ILE 21 37.780 1.739 7.194
137 1HG2 ILE 21 1HG2 ILE 21 39.407 3.661 5.165
138 2HG2 ILE 21 3HG2 ILE 21 39.975 2.244 6.038
139 3HG2 ILE 21 2HG2 ILE 21 40.075 2.295 4.293
140 1HD1 ILE 21 3HD1 ILE 21 38.090 4.211 6.732
141 2HD1 ILE 21 2HD1 ILE 21 36.568 4.196 5.861
142 3HD1 ILE 21 1HD1 ILE 21 36.609 3.869 7.579
143 H LEU 22 H LEU 22 38.743 4.102 2.553
144 HA LEU 22 HA LEU 22 39.117 2.774 0.115
145 1HB LEU 22 2HB LEU 22 39.260 5.172 0.389
146 2HB LEU 22 1HB LEU 22 40.512 5.011 1.606
147 HG LEU 22 HG LEU 22 41.936 3.965 -0.122
148 1HD1 LEU 22 1HD1 LEU 22 39.784 5.135 -1.971
149 2HD1 LEU 22 3HD1 LEU 22 41.315 4.510 -2.546
150 3HD1 LEU 22 2HD1 LEU 22 40.144 3.431 -1.805
151 1HD2 LEU 22 2HD2 LEU 22 41.119 6.867 -0.585
152 2HD2 LEU 22 1HD2 LEU 22 42.336 6.296 0.552
153 3HD2 LEU 22 3HD2 LEU 22 42.612 6.145 -1.173
154 H TRP 23 H TRP 23 40.633 1.370 -0.568
155 HA TRP 23 HA TRP 23 42.689 0.627 1.384
156 1HB TRP 23 2HB TRP 23 40.644 -1.115 0.074
157 2HB TRP 23 1HB TRP 23 42.234 -1.822 0.255
158 HD1 TRP 23 HD1 TRP 23 39.267 -0.887 2.410
159 HE1 TRP 23 HE1 TRP 23 39.867 -1.166 4.854
160 HE3 TRP 23 HE3 TRP 23 44.123 -1.475 1.773
161 HZ2 TRP 23 HZ2 TRP 23 42.186 -1.514 6.334
162 HZ3 TRP 23 HZ3 TRP 23 45.647 -1.721 3.686
163 HH2 TRP 23 HH2 TRP 23 44.672 -1.765 6.024
164 H PHE 24 H PHE 24 44.391 0.227 0.989
165 HA PHE 24 HA PHE 24 45.669 0.704 -1.572
166 1HB PHE 24 2HB PHE 24 46.268 0.813 1.345
167 2HB PHE 24 1HB PHE 24 47.657 0.349 0.475
168 HD1 PHE 24 HD1 PHE 24 44.859 2.888 0.373
169 HD2 PHE 24 HD2 PHE 24 49.018 2.184 -0.246
170 HE1 PHE 24 HE1 PHE 24 45.206 5.281 -0.051
171 HE2 PHE 24 HE2 PHE 24 49.355 4.586 -0.662
172 HZ PHE 24 HZ PHE 24 47.445 6.133 -0.564
173 H TYR 25 H TYR 25 44.438 -1.870 -1.583
174 HA TYR 25 HA TYR 25 46.807 -3.591 -1.446
175 1HB TYR 25 2HB TYR 25 44.032 -4.076 -0.604
176 2HB TYR 25 1HB TYR 25 44.661 -5.380 -1.576
177 HD1 TYR 25 HD1 TYR 25 46.782 -3.220 0.528
178 HD2 TYR 25 HD2 TYR 25 44.863 -6.983 0.209
179 HE1 TYR 25 HE1 TYR 25 48.082 -4.013 2.438
180 HE2 TYR 25 HE2 TYR 25 46.177 -7.804 2.121
181 HH TYR 25 HH TYR 25 48.511 -5.775 3.816
182 HA PRO 26 HA PRO 26 46.598 -3.553 -5.651
183 1HB PRO 26 2HB PRO 26 48.564 -5.420 -6.281
184 2HB PRO 26 1HB PRO 26 48.980 -3.838 -5.609
185 1HG PRO 26 2HG PRO 26 48.452 -6.448 -4.065
186 2HG PRO 26 1HG PRO 26 49.881 -5.411 -3.965
187 1HD PRO 26 2HD PRO 26 47.886 -5.046 -2.158
188 2HD PRO 26 1HD PRO 26 48.570 -3.574 -2.873
189 H SER 27 H SER 27 46.051 -6.293 -3.722
190 HA SER 27 HA SER 27 44.859 -7.946 -5.838
191 1HB SER 27 2HB SER 27 44.626 -9.518 -3.758
192 2HB SER 27 1HB SER 27 46.281 -9.130 -4.266
193 HG SER 27 HG SER 27 45.141 -8.543 -1.958
194 H GLY 28 H GLY 28 43.736 -5.382 -4.335
195 1HA GLY 28 2HA GLY 28 41.343 -4.833 -4.611
196 2HA GLY 28 1HA GLY 28 40.954 -6.468 -4.071
197 H CYS 29 H CYS 29 40.339 -6.548 -1.954
198 HA CYS 29 HA CYS 29 41.088 -4.370 -0.140
199 1HB CYS 29 2HB CYS 29 39.239 -6.684 0.435
200 2HB CYS 29 1HB CYS 29 39.326 -5.080 1.093
201 HA PRO 30 HA PRO 30 43.643 -7.341 2.046
202 1HB PRO 30 2HB PRO 30 43.980 -6.253 4.463
203 2HB PRO 30 1HB PRO 30 44.525 -5.321 3.051
204 1HG PRO 30 2HG PRO 30 41.816 -5.239 4.377
205 2HG PRO 30 1HG PRO 30 42.899 -3.894 4.219
206 1HD PRO 30 2HD PRO 30 40.967 -4.273 2.355
207 2HD PRO 30 1HD PRO 30 42.580 -3.811 1.789
208 H SER 31 H SER 31 43.615 -8.843 3.705
209 HA SER 31 HA SER 31 41.355 -10.425 3.890
210 1HB SER 31 2HB SER 31 43.677 -11.224 4.553
211 2HB SER 31 1HB SER 31 43.518 -10.281 6.051
212 HG SER 31 HG SER 31 42.226 -11.796 6.781
213 H GLY 32 H GLY 32 39.613 -10.142 4.797
214 1HA GLY 32 2HA GLY 32 38.216 -9.872 6.868
215 2HA GLY 32 1HA GLY 32 39.300 -8.571 7.349
216 H TRP 33 H TRP 33 38.984 -8.051 4.186
217 HA TRP 33 HA TRP 33 36.603 -6.308 4.524
218 1HB TRP 33 2HB TRP 33 39.077 -6.052 2.804
219 2HB TRP 33 1HB TRP 33 37.771 -4.889 2.783
220 HD1 TRP 33 HD1 TRP 33 40.334 -6.360 5.362
221 HE1 TRP 33 HE1 TRP 33 40.809 -4.640 7.099
222 HE3 TRP 33 HE3 TRP 33 37.154 -2.856 3.735
223 HZ2 TRP 33 HZ2 TRP 33 39.980 -2.092 7.714
224 HZ3 TRP 33 HZ3 TRP 33 36.993 -0.721 4.934
225 HH2 TRP 33 HH2 TRP 33 38.442 -0.334 6.944
226 H HIS 34 H HIS 34 35.329 -6.106 2.576
227 HA HIS 34 HA HIS 34 35.733 -8.319 0.600
228 1HB HIS 34 2HB HIS 34 34.374 -9.004 2.591
229 2HB HIS 34 1HB HIS 34 33.167 -7.817 2.144
230 HD1 HIS 34 HD1 HIS 34 32.410 -8.257 -0.556
231 HD2 HIS 34 HD2 HIS 34 33.861 -11.417 1.706
232 HE1 HIS 34 HE1 HIS 34 31.656 -10.430 -1.604
233 H ASN 35 H ASN 35 36.161 -5.607 0.383
234 HA ASN 35 HA ASN 35 35.911 -3.845 -1.078
235 1HB ASN 35 2HB ASN 35 35.968 -5.750 -2.712
236 2HB ASN 35 1HB ASN 35 34.211 -5.786 -2.677
237 1HD2 ASN 35 2HD2 ASN 35 36.048 -2.871 -4.814
238 2HD2 ASN 35 1HD2 ASN 35 36.995 -3.955 -3.899
239 H CYS 36 H CYS 36 34.626 -2.140 -1.745
240 HA CYS 36 HA CYS 36 31.813 -2.092 -0.786
241 1HB CYS 36 2HB CYS 36 32.287 -0.250 0.412
242 2HB CYS 36 1HB CYS 36 33.899 -0.828 0.398
243 H LYS 37 H LYS 37 34.308 -0.669 -2.774
244 HA LYS 37 HA LYS 37 32.346 -0.025 -4.937
245 1HB LYS 37 2HB LYS 37 33.772 1.863 -3.753
246 2HB LYS 37 1HB LYS 37 35.122 1.198 -4.627
247 1HG LYS 37 2HG LYS 37 34.047 1.620 -6.777
248 2HG LYS 37 1HG LYS 37 32.515 1.993 -6.012
249 1HD LYS 37 2HD LYS 37 33.787 3.956 -4.830
250 2HD LYS 37 1HD LYS 37 35.062 3.647 -5.986
251 1HE LYS 37 2HE LYS 37 33.597 4.126 -7.869
252 2HE LYS 37 1HE LYS 37 32.183 4.176 -6.826
253 1HZ LYS 37 3HZ LYS 37 34.072 5.975 -5.828
254 2HZ LYS 37 2HZ LYS 37 33.902 6.266 -7.500
255 3HZ LYS 37 1HZ LYS 37 32.535 6.300 -6.491
256 H ALA 38 H ALA 38 32.385 -1.773 -6.080
257 HA ALA 38 HA ALA 38 34.843 -3.278 -6.732
258 1HB ALA 38 3HB ALA 38 31.935 -3.707 -7.566
259 2HB ALA 38 2HB ALA 38 33.243 -4.837 -7.859
260 3HB ALA 38 1HB ALA 38 32.721 -4.504 -6.209
261 H HIS 39 H HIS 39 34.037 -0.501 -7.579
262 HA HIS 39 HA HIS 39 34.594 -0.802 -10.499
263 1HB HIS 39 2HB HIS 39 32.787 1.330 -9.266
264 2HB HIS 39 1HB HIS 39 32.935 0.934 -10.975
265 HD1 HIS 39 HD1 HIS 39 32.732 -2.216 -10.433
266 HD2 HIS 39 HD2 HIS 39 30.229 0.762 -8.950
267 HE1 HIS 39 HE1 HIS 39 30.560 -3.203 -9.845
268 H GLY 40 H GLY 40 36.436 -0.506 -8.389
269 1HA GLY 40 2HA GLY 40 38.541 0.693 -8.474
270 2HA GLY 40 1HA GLY 40 37.702 2.052 -9.228
271 HA PRO 41 HA PRO 41 38.608 3.924 -8.720
272 1HB PRO 41 2HB PRO 41 40.074 5.748 -7.388
273 2HB PRO 41 1HB PRO 41 38.308 5.802 -7.243
274 1HG PRO 41 2HG PRO 41 40.249 4.270 -5.442
275 2HG PRO 41 1HG PRO 41 39.099 5.468 -4.866
276 1HD PRO 41 2HD PRO 41 38.272 3.017 -4.735
277 2HD PRO 41 1HD PRO 41 37.174 4.228 -5.409
278 H ASN 42 H ASN 42 41.290 4.555 -9.047
279 HA ASN 42 HA ASN 42 42.619 1.950 -8.703
280 1HB ASN 42 2HB ASN 42 44.250 2.918 -10.352
281 2HB ASN 42 1HB ASN 42 42.636 3.070 -11.031
282 1HD2 ASN 42 2HD2 ASN 42 44.669 6.392 -10.830
283 2HD2 ASN 42 1HD2 ASN 42 45.327 4.844 -11.047
284 H ILE 43 H ILE 43 42.157 4.861 -7.344
285 HA ILE 43 HA ILE 43 44.762 4.964 -6.325
286 HB ILE 43 HB ILE 43 42.429 6.777 -5.439
287 1HG1 ILE 43 2HG1 ILE 43 42.548 6.889 -7.927
288 2HG1 ILE 43 1HG1 ILE 43 43.067 8.389 -7.213
289 1HG2 ILE 43 2HG2 ILE 43 45.440 7.350 -5.492
290 2HG2 ILE 43 1HG2 ILE 43 44.202 8.503 -5.033
291 3HG2 ILE 43 3HG2 ILE 43 44.468 7.070 -4.063
292 1HD1 ILE 43 1HD1 ILE 43 44.971 6.234 -8.241
293 2HD1 ILE 43 3HD1 ILE 43 44.558 7.724 -9.068
294 3HD1 ILE 43 2HD1 ILE 43 45.457 7.784 -7.569
295 H GLY 44 H GLY 44 43.186 2.865 -5.756
296 1HA GLY 44 2HA GLY 44 43.495 1.448 -3.724
297 2HA GLY 44 1HA GLY 44 42.959 2.807 -2.745
298 H TRP 45 H TRP 45 41.939 0.020 -3.532
299 HA TRP 45 HA TRP 45 39.311 0.558 -4.756
300 1HB TRP 45 2HB TRP 45 39.744 -1.876 -2.998
301 2HB TRP 45 1HB TRP 45 38.795 -1.734 -4.463
302 HD1 TRP 45 HD1 TRP 45 42.565 -1.702 -3.454
303 HE1 TRP 45 HE1 TRP 45 43.902 -2.879 -5.165
304 HE3 TRP 45 HE3 TRP 45 38.846 -2.663 -6.772
305 HZ2 TRP 45 HZ2 TRP 45 43.523 -4.058 -7.608
306 HZ3 TRP 45 HZ3 TRP 45 39.428 -3.874 -8.845
307 HH2 TRP 45 HH2 TRP 45 41.756 -4.567 -9.260
308 H CYS 46 H CYS 46 37.336 1.213 -3.469
309 HA CYS 46 HA CYS 46 37.952 1.588 -0.593
310 1HB CYS 46 2HB CYS 46 35.525 2.260 -2.308
311 2HB CYS 46 1HB CYS 46 35.647 2.623 -0.609
312 H CYS 47 H CYS 47 37.402 0.152 0.781
313 HA CYS 47 HA CYS 47 35.476 -1.994 0.087
314 1HB CYS 47 2HB CYS 47 38.139 -2.135 1.473
315 2HB CYS 47 1HB CYS 47 37.045 -3.439 1.385
316 H LYS 48 H LYS 48 35.245 -3.467 2.150
317 HA LYS 48 HA LYS 48 34.912 -1.797 4.414
318 1HB LYS 48 2HB LYS 48 32.981 -1.376 2.945
319 2HB LYS 48 1HB LYS 48 32.671 -3.093 2.791
320 1HG LYS 48 2HG LYS 48 31.151 -2.036 4.407
321 2HG LYS 48 1HG LYS 48 32.187 -3.206 5.215
322 1HD LYS 48 2HD LYS 48 33.679 -1.481 5.932
323 2HD LYS 48 1HD LYS 48 33.013 -0.389 4.794
324 1HE LYS 48 2HE LYS 48 32.268 0.099 7.225
325 2HE LYS 48 1HE LYS 48 30.882 -0.294 6.225
326 1HZ LYS 48 3HZ LYS 48 31.914 -2.692 7.265
327 2HZ LYS 48 2HZ LYS 48 31.767 -1.578 8.537
328 3HZ LYS 48 1HZ LYS 48 30.423 -1.948 7.571
329 H LYS 49 H LYS 49 34.511 -2.886 6.205
330 HA LYS 49 HA LYS 49 35.575 -5.655 6.262
331 1HB LYS 49 2HB LYS 49 34.694 -3.829 8.535
332 2HB LYS 49 1HB LYS 49 35.370 -5.432 8.759
333 1HG LYS 49 2HG LYS 49 37.411 -4.650 7.442
334 2HG LYS 49 1HG LYS 49 36.714 -3.038 7.444
335 1HD LYS 49 2HD LYS 49 38.318 -3.160 9.272
336 2HD LYS 49 1HD LYS 49 36.712 -3.085 9.968
337 1HE LYS 49 2HE LYS 49 36.734 -5.564 10.303
338 2HE LYS 49 1HE LYS 49 38.318 -5.651 9.548
339 1HZ LYS 49 1HZ LYS 49 38.417 -3.740 11.587
340 2HZ LYS 49 3HZ LYS 49 37.680 -5.134 12.206
341 3HZ LYS 49 2HZ LYS 49 39.212 -5.236 11.489
No H/Q in entry = 341
No H/Q in entry = 341