NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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9626 |
1ohn   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 3H LYS 1 -17.084 6.529 -4.041
2 H2 LYS 1 2H LYS 1 -16.311 6.546 -5.493
3 H3 LYS 1 1H LYS 1 -17.751 5.786 -5.306
4 HA LYS 1 HA LYS 1 -16.847 4.134 -3.894
5 1HB LYS 1 1HB LYS 1 -16.796 3.740 -6.315
6 2HB LYS 1 2HB LYS 1 -15.188 4.395 -6.429
7 1HG LYS 1 1HG LYS 1 -15.095 1.989 -6.447
8 2HG LYS 1 2HG LYS 1 -14.318 2.594 -4.987
9 1HD LYS 1 1HD LYS 1 -15.598 0.607 -4.491
10 2HD LYS 1 2HD LYS 1 -16.293 1.972 -3.652
11 1HE LYS 1 1HE LYS 1 -18.048 2.137 -5.429
12 2HE LYS 1 2HE LYS 1 -17.297 0.774 -6.281
13 1HZ LYS 1 2HZ LYS 1 -18.523 0.638 -3.561
14 2HZ LYS 1 1HZ LYS 1 -19.182 0.057 -4.921
15 3HZ LYS 1 3HZ LYS 1 -17.840 -0.620 -4.350
16 H TYR 2 H TYR 2 -14.168 6.435 -4.757
17 HA TYR 2 HA TYR 2 -12.500 5.152 -2.656
18 1HB TYR 2 1HB TYR 2 -11.822 6.727 -5.139
19 2HB TYR 2 2HB TYR 2 -10.659 6.046 -4.002
20 HD1 TYR 2 HD1 TYR 2 -12.748 5.346 -6.910
21 HD2 TYR 2 HD2 TYR 2 -10.529 3.568 -3.675
22 HE1 TYR 2 HE1 TYR 2 -12.861 3.136 -8.055
23 HE2 TYR 2 HE2 TYR 2 -10.634 1.358 -4.833
24 HH TYR 2 HH TYR 2 -12.332 0.927 -7.935
25 H TYR 3 H TYR 3 -14.432 7.690 -2.444
26 HA TYR 3 HA TYR 3 -12.642 9.907 -2.442
27 1HB TYR 3 1HB TYR 3 -14.560 11.236 -1.972
28 2HB TYR 3 2HB TYR 3 -14.973 9.984 -3.122
29 HD1 TYR 3 HD1 TYR 3 -15.243 10.899 0.537
30 HD2 TYR 3 HD2 TYR 3 -16.902 8.643 -2.749
31 HE1 TYR 3 HE1 TYR 3 -17.113 10.223 1.986
32 HE2 TYR 3 HE2 TYR 3 -18.827 8.001 -1.278
33 HH TYR 3 HH TYR 3 -19.138 9.129 2.089
34 H GLY 4 H GLY 4 -13.312 7.878 0.265
35 1HA GLY 4 2HA GLY 4 -13.882 9.483 2.368
36 2HA GLY 4 1HA GLY 4 -12.150 9.821 2.190
37 H ASN 5 H ASN 5 -13.506 8.781 4.453
38 HA ASN 5 HA ASN 5 -11.403 7.343 5.437
39 1HB ASN 5 1HB ASN 5 -12.993 8.592 6.815
40 2HB ASN 5 2HB ASN 5 -14.271 7.433 6.462
41 1HD2 ASN 5 1HD2 ASN 5 -11.040 7.731 8.039
42 2HD2 ASN 5 2HD2 ASN 5 -11.360 6.433 9.183
43 H GLY 6 H GLY 6 -14.558 5.693 5.001
44 1HA GLY 6 2HA GLY 6 -14.641 3.338 5.752
45 2HA GLY 6 1HA GLY 6 -13.099 3.024 4.971
46 H VAL 7 H VAL 7 -14.820 4.904 2.892
47 HA VAL 7 HA VAL 7 -16.960 3.387 2.017
48 HB VAL 7 HB VAL 7 -16.864 5.695 1.600
49 1HG1 VAL 7 1HG1 VAL 7 -14.448 6.067 1.258
50 2HG1 VAL 7 2HG1 VAL 7 -14.575 5.329 -0.364
51 3HG1 VAL 7 3HG1 VAL 7 -15.432 6.842 0.034
52 1HG2 VAL 7 1HG2 VAL 7 -18.160 4.332 -0.013
53 2HG2 VAL 7 2HG2 VAL 7 -17.555 5.851 -0.713
54 3HG2 VAL 7 3HG2 VAL 7 -16.769 4.297 -1.101
55 H HIS 8 H HIS 8 -13.863 3.502 0.359
56 HA HIS 8 HA HIS 8 -14.258 1.681 -1.743
57 1HB HIS 8 1HB HIS 8 -11.644 1.471 -1.579
58 2HB HIS 8 2HB HIS 8 -12.402 3.008 -1.976
59 HD1 HIS 8 HD1 HIS 8 -11.855 1.505 1.488
60 HD2 HIS 8 HD2 HIS 8 -11.404 5.008 -0.736
61 HE1 HIS 8 HE1 HIS 8 -11.523 3.418 3.188
62 HE2 HIS 8 HE2 HIS 8 -11.144 5.533 1.795
63 H CYS 9 H CYS 9 -15.263 -0.259 -1.204
64 HA CYS 9 HA CYS 9 -13.663 -2.160 0.448
65 1HB CYS 9 1HB CYS 9 -15.545 -0.923 1.712
66 2HB CYS 9 2HB CYS 9 -16.641 -1.997 0.830
67 H GLY 10 H GLY 10 -14.212 -4.252 -2.377
68 1HA GLY 10 2HA GLY 10 -12.285 -2.340 -1.176
69 2HA GLY 10 1HA GLY 10 -11.962 -3.532 -2.424
70 H LYS 11 H LYS 11 -11.622 -5.710 -1.801
71 HA LYS 11 HA LYS 11 -10.622 -7.425 -0.663
72 1HB LYS 11 1HB LYS 11 -9.321 -5.035 0.736
73 2HB LYS 11 2HB LYS 11 -8.886 -6.698 1.069
74 1HG LYS 11 1HG LYS 11 -7.307 -5.887 -0.434
75 2HG LYS 11 2HG LYS 11 -8.300 -7.083 -1.282
76 1HD LYS 11 1HD LYS 11 -9.464 -5.301 -2.496
77 2HD LYS 11 2HD LYS 11 -8.556 -4.072 -1.573
78 1HE LYS 11 1HE LYS 11 -6.437 -4.959 -2.523
79 2HE LYS 11 2HE LYS 11 -7.325 -6.229 -3.349
80 1HZ LYS 11 2HZ LYS 11 -7.677 -3.324 -3.863
81 2HZ LYS 11 1HZ LYS 11 -6.837 -4.333 -4.827
82 3HZ LYS 11 3HZ LYS 11 -8.439 -4.511 -4.682
83 H HIS 12 H HIS 12 -13.146 -6.138 0.639
84 HA HIS 12 HA HIS 12 -14.635 -6.511 2.281
85 1HB HIS 12 1HB HIS 12 -13.084 -9.014 3.054
86 2HB HIS 12 2HB HIS 12 -14.777 -8.659 3.354
87 HD1 HIS 12 HD1 HIS 12 -16.360 -8.554 0.997
88 HD2 HIS 12 HD2 HIS 12 -12.491 -10.230 0.852
89 HE1 HIS 12 HE1 HIS 12 -16.259 -9.926 -1.155
90 HE2 HIS 12 HE2 HIS 12 -13.880 -10.949 -1.258
91 H SER 13 H SER 13 -11.355 -6.381 3.389
92 HA SER 13 HA SER 13 -11.895 -5.534 6.132
93 1HB SER 13 1HB SER 13 -9.466 -4.847 6.017
94 2HB SER 13 2HB SER 13 -9.740 -6.525 5.566
95 HG SER 13 HG SER 13 -8.394 -5.504 4.032
96 H CYS 14 H CYS 14 -12.297 -4.052 3.125
97 HA CYS 14 HA CYS 14 -12.631 -2.002 2.321
98 1HB CYS 14 1HB CYS 14 -13.186 -1.037 5.127
99 2HB CYS 14 2HB CYS 14 -13.676 -0.294 3.629
100 H THR 15 H THR 15 -10.618 -2.057 1.632
101 HA THR 15 HA THR 15 -8.293 -2.023 2.873
102 HB THR 15 HB THR 15 -8.864 -2.764 0.603
103 HG1 THR 15 HG1 THR 15 -6.484 -1.364 1.006
104 1HG2 THR 15 3HG2 THR 15 -9.776 -0.620 -0.283
105 2HG2 THR 15 2HG2 THR 15 -8.124 0.052 -0.285
106 3HG2 THR 15 1HG2 THR 15 -8.528 -1.333 -1.323
107 H VAL 16 H VAL 16 -9.780 0.887 2.968
108 HA VAL 16 HA VAL 16 -9.267 3.058 3.373
109 HB VAL 16 HB VAL 16 -6.445 2.153 3.945
110 1HG1 VAL 16 3HG1 VAL 16 -8.009 4.634 4.808
111 2HG1 VAL 16 1HG1 VAL 16 -6.472 4.102 5.514
112 3HG1 VAL 16 2HG1 VAL 16 -6.535 4.592 3.822
113 1HG2 VAL 16 1HG2 VAL 16 -8.872 2.409 5.788
114 2HG2 VAL 16 2HG2 VAL 16 -8.026 0.906 5.364
115 3HG2 VAL 16 3HG2 VAL 16 -7.195 2.131 6.324
116 H ASP 17 H ASP 17 -8.390 5.097 2.340
117 HA ASP 17 HA ASP 17 -8.154 4.886 -0.412
118 1HB ASP 17 1HB ASP 17 -7.969 7.284 -0.279
119 2HB ASP 17 2HB ASP 17 -9.151 6.717 0.872
120 H TRP 18 H TRP 18 -5.626 4.459 1.853
121 HA TRP 18 HA TRP 18 -3.402 5.129 0.048
122 1HB TRP 18 1HB TRP 18 -2.017 4.513 1.861
123 2HB TRP 18 2HB TRP 18 -3.264 5.625 2.375
124 HD1 TRP 18 HD1 TRP 18 -3.707 1.766 2.183
125 HE1 TRP 18 HE1 TRP 18 -4.187 0.860 4.439
126 HE3 TRP 18 HE3 TRP 18 -3.035 6.073 4.945
127 HZ2 TRP 18 HZ2 TRP 18 -4.119 1.757 7.193
128 HZ3 TRP 18 HZ3 TRP 18 -3.298 5.981 7.395
129 HH2 TRP 18 HH2 TRP 18 -3.778 3.821 8.544
130 H GLY 19 H GLY 19 -5.472 2.589 0.110
131 1HA GLY 19 2HA GLY 19 -5.435 0.551 -1.097
132 2HA GLY 19 1HA GLY 19 -4.646 0.185 0.433
133 H THR 20 H THR 20 -3.923 1.130 -2.906
134 HA THR 20 HA THR 20 -2.127 -1.078 -3.249
135 HB THR 20 HB THR 20 -3.478 -0.059 -5.083
136 HG1 THR 20 HG1 THR 20 -1.777 -1.378 -5.636
137 1HG2 THR 20 1HG2 THR 20 -3.000 2.361 -4.627
138 2HG2 THR 20 3HG2 THR 20 -1.324 2.106 -5.191
139 3HG2 THR 20 2HG2 THR 20 -2.684 1.891 -6.291
140 H ALA 21 H ALA 21 -1.358 2.223 -2.292
141 HA ALA 21 HA ALA 21 1.490 2.027 -2.775
142 1HB ALA 21 2HB ALA 21 0.289 4.166 -2.525
143 2HB ALA 21 1HB ALA 21 1.632 4.011 -1.401
144 3HB ALA 21 3HB ALA 21 -0.028 3.806 -0.814
145 H ILE 22 H ILE 22 -0.518 1.588 0.140
146 HA ILE 22 HA ILE 22 1.578 0.541 1.818
147 HB ILE 22 HB ILE 22 -1.410 0.174 2.051
148 1HG1 ILE 22 1HG1 ILE 22 -0.918 2.487 2.243
149 2HG1 ILE 22 2HG1 ILE 22 -1.184 1.870 3.874
150 1HG2 ILE 22 3HG2 ILE 22 0.765 -0.426 4.070
151 2HG2 ILE 22 1HG2 ILE 22 -0.982 -0.366 4.428
152 3HG2 ILE 22 2HG2 ILE 22 -0.358 -1.582 3.327
153 1HD1 ILE 22 3HD1 ILE 22 1.263 1.850 4.262
154 2HD1 ILE 22 1HD1 ILE 22 1.500 2.630 2.663
155 3HD1 ILE 22 2HD1 ILE 22 0.588 3.448 3.957
156 H GLY 23 H GLY 23 -0.641 -1.103 -0.494
157 1HA GLY 23 2HA GLY 23 -0.359 -3.134 -1.592
158 2HA GLY 23 1HA GLY 23 0.123 -3.781 -0.033
159 H ASN 24 H ASN 24 1.596 -1.494 -2.397
160 HA ASN 24 HA ASN 24 3.769 -3.150 -3.206
161 1HB ASN 24 1HB ASN 24 2.879 -1.141 -4.396
162 2HB ASN 24 2HB ASN 24 3.599 -0.105 -3.159
163 1HD2 ASN 24 1HD2 ASN 24 4.197 -1.878 -6.079
164 2HD2 ASN 24 2HD2 ASN 24 5.925 -1.544 -6.136
165 H ILE 25 H ILE 25 3.653 -0.679 -0.644
166 HA ILE 25 HA ILE 25 6.286 -0.849 0.377
167 HB ILE 25 HB ILE 25 3.625 -0.083 1.546
168 1HG1 ILE 25 1HG1 ILE 25 6.149 1.552 1.198
169 2HG1 ILE 25 2HG1 ILE 25 5.028 1.333 -0.156
170 1HG2 ILE 25 1HG2 ILE 25 6.311 -0.137 3.029
171 2HG2 ILE 25 2HG2 ILE 25 4.870 0.757 3.583
172 3HG2 ILE 25 3HG2 ILE 25 4.799 -0.978 3.475
173 1HD1 ILE 25 3HD1 ILE 25 3.199 2.313 1.241
174 2HD1 ILE 25 1HD1 ILE 25 4.417 2.667 2.491
175 3HD1 ILE 25 2HD1 ILE 25 4.544 3.441 0.922
176 H GLY 26 H GLY 26 3.390 -2.673 1.568
177 1HA GLY 26 2HA GLY 26 3.261 -4.693 2.708
178 2HA GLY 26 1HA GLY 26 4.812 -4.294 3.430
179 H ASN 27 H ASN 27 4.045 -4.917 -0.010
180 HA ASN 27 HA ASN 27 5.056 -7.547 -0.200
181 1HB ASN 27 1HB ASN 27 3.638 -6.539 -1.891
182 2HB ASN 27 2HB ASN 27 4.915 -5.384 -2.337
183 1HD2 ASN 27 1HD2 ASN 27 4.101 -8.895 -2.330
184 2HD2 ASN 27 2HD2 ASN 27 5.225 -9.242 -3.639
185 H ASN 28 H ASN 28 6.771 -4.432 -0.883
186 HA ASN 28 HA ASN 28 9.310 -5.857 -1.322
187 1HB ASN 28 1HB ASN 28 8.560 -2.912 -1.206
188 2HB ASN 28 2HB ASN 28 10.212 -3.499 -1.467
189 1HD2 ASN 28 1HD2 ASN 28 7.072 -3.014 -3.009
190 2HD2 ASN 28 2HD2 ASN 28 7.627 -3.634 -4.569
191 H ALA 29 H ALA 29 7.831 -4.383 1.528
192 HA ALA 29 HA ALA 29 10.134 -4.464 3.206
193 1HB ALA 29 3HB ALA 29 8.011 -3.439 3.899
194 2HB ALA 29 1HB ALA 29 7.224 -5.025 3.906
195 3HB ALA 29 2HB ALA 29 8.528 -4.678 5.051
196 H ALA 30 H ALA 30 7.786 -7.053 2.441
197 HA ALA 30 HA ALA 30 9.165 -9.113 3.896
198 1HB ALA 30 3HB ALA 30 7.226 -9.263 1.538
199 2HB ALA 30 1HB ALA 30 7.700 -10.629 2.564
200 3HB ALA 30 2HB ALA 30 6.805 -9.290 3.280
201 H ALA 31 H ALA 31 9.372 -8.036 0.482
202 HA ALA 31 HA ALA 31 11.081 -10.224 -0.308
203 1HB ALA 31 2HB ALA 31 9.522 -9.011 -1.812
204 2HB ALA 31 3HB ALA 31 10.602 -7.596 -1.746
205 3HB ALA 31 1HB ALA 31 11.180 -9.124 -2.438
206 H ASN 32 H ASN 32 11.854 -6.839 0.609
207 HA ASN 32 HA ASN 32 14.745 -7.371 0.059
208 1HB ASN 32 1HB ASN 32 13.451 -6.070 -1.657
209 2HB ASN 32 2HB ASN 32 13.120 -4.845 -0.435
210 1HD2 ASN 32 1HD2 ASN 32 16.015 -6.628 -1.712
211 2HD2 ASN 32 2HD2 ASN 32 17.000 -5.183 -1.775
212 H TRP 33 H TRP 33 12.596 -6.163 2.666
213 HA TRP 33 HA TRP 33 14.592 -4.327 3.647
214 1HB TRP 33 1HB TRP 33 11.899 -4.858 4.351
215 2HB TRP 33 2HB TRP 33 12.889 -5.050 5.809
216 HD1 TRP 33 HD1 TRP 33 13.828 -2.845 6.845
217 HE1 TRP 33 HE1 TRP 33 13.780 -0.353 6.188
218 HE3 TRP 33 HE3 TRP 33 11.734 -3.253 2.198
219 HZ2 TRP 33 HZ2 TRP 33 12.895 1.245 3.988
220 HZ3 TRP 33 HZ3 TRP 33 11.225 -1.212 0.863
221 HH2 TRP 33 HH2 TRP 33 11.815 1.062 1.751
222 H ALA 34 H ALA 34 14.779 -7.667 3.687
223 HA ALA 34 HA ALA 34 16.302 -8.123 6.052
224 1HB ALA 34 2HB ALA 34 17.307 -9.961 4.744
225 2HB ALA 34 3HB ALA 34 15.539 -9.951 4.677
226 3HB ALA 34 1HB ALA 34 16.485 -9.353 3.283
227 H THR 35 H THR 35 17.053 -6.481 3.024
228 HA THR 35 HA THR 35 19.919 -6.123 3.619
229 HB THR 35 HB THR 35 20.023 -4.895 1.563
230 HG1 THR 35 HG1 THR 35 17.205 -5.130 1.377
231 1HG2 THR 35 2HG2 THR 35 19.920 -7.339 1.260
232 2HG2 THR 35 1HG2 THR 35 18.148 -7.237 1.066
233 3HG2 THR 35 3HG2 THR 35 19.241 -6.457 -0.105
234 H GLY 36 H GLY 36 17.253 -4.719 4.935
235 1HA GLY 36 2HA GLY 36 18.460 -2.083 5.423
236 2HA GLY 36 1HA GLY 36 16.925 -2.670 6.051
237 H GLY 37 H GLY 37 16.562 -3.374 2.916
238 1HA GLY 37 2HA GLY 37 14.990 -0.960 2.252
239 2HA GLY 37 1HA GLY 37 15.091 -2.461 1.326
240 H ASN 38 H ASN 38 17.792 -2.752 0.888
241 HA ASN 38 HA ASN 38 19.246 -0.515 0.057
242 1HB ASN 38 1HB ASN 38 20.204 -2.718 0.525
243 2HB ASN 38 2HB ASN 38 19.341 -3.428 -0.839
244 1HD2 ASN 38 1HD2 ASN 38 20.611 -3.697 -2.672
245 2HD2 ASN 38 2HD2 ASN 38 21.982 -2.646 -3.041
246 H ALA 39 H ALA 39 16.826 -2.369 -1.741
247 HA ALA 39 HA ALA 39 17.014 -0.452 -4.028
248 1HB ALA 39 2HB ALA 39 15.580 -3.149 -3.812
249 2HB ALA 39 3HB ALA 39 15.531 -2.075 -5.201
250 3HB ALA 39 1HB ALA 39 17.076 -2.802 -4.690
251 H GLY 40 H GLY 40 14.675 -2.004 -1.839
252 1HA GLY 40 2HA GLY 40 13.301 0.550 -1.337
253 2HA GLY 40 1HA GLY 40 13.097 -0.969 -0.490
254 H TRP 41 H TRP 41 10.871 0.341 -0.873
255 HA TRP 41 HA TRP 41 9.176 -1.055 -2.826
256 1HB TRP 41 1HB TRP 41 7.369 0.138 -1.750
257 2HB TRP 41 2HB TRP 41 8.374 -0.744 -0.620
258 HD1 TRP 41 HD1 TRP 41 8.417 2.858 -2.008
259 HE1 TRP 41 HE1 TRP 41 8.860 4.464 -0.162
260 HE3 TRP 41 HE3 TRP 41 8.678 -0.495 1.869
261 HZ2 TRP 41 HZ2 TRP 41 9.243 4.383 2.732
262 HZ3 TRP 41 HZ3 TRP 41 9.021 0.324 4.193
263 HH2 TRP 41 HH2 TRP 41 9.336 2.758 4.627
264 H ASN 42 H ASN 42 7.499 0.608 -3.857
265 HA ASN 42 HA ASN 42 8.390 1.635 -6.151
266 1HB ASN 42 1HB ASN 42 6.369 3.195 -6.123
267 2HB ASN 42 2HB ASN 42 6.092 1.482 -5.896
268 1HD2 ASN 42 1HD2 ASN 42 7.026 4.045 -3.513
269 2HD2 ASN 42 2HD2 ASN 42 5.596 3.769 -2.504
270 H LYS 43 H LYS 43 10.117 2.721 -6.580
271 HA LYS 43 HA LYS 43 11.160 4.917 -4.956
272 1HB LYS 43 1HB LYS 43 12.145 3.958 -7.670
273 2HB LYS 43 2HB LYS 43 12.997 4.942 -6.492
274 1HG LYS 43 1HG LYS 43 12.777 2.978 -4.847
275 2HG LYS 43 2HG LYS 43 12.185 2.024 -6.179
276 1HD LYS 43 1HD LYS 43 14.469 1.465 -6.034
277 2HD LYS 43 2HD LYS 43 14.307 2.502 -7.443
278 1HE LYS 43 1HE LYS 43 16.304 3.061 -6.203
279 2HE LYS 43 2HE LYS 43 15.196 4.427 -6.129
280 1HZ LYS 43 3HZ LYS 43 15.413 2.403 -3.960
281 2HZ LYS 43 2HZ LYS 43 16.239 3.824 -3.957
282 3HZ LYS 43 1HZ LYS 43 14.614 3.811 -3.891
No H/Q in entry = 282
Start of MODEL 2
1 H1 LYS 1 1H LYS 1 7.296 -2.650 3.747
2 H2 LYS 1 3H LYS 1 8.092 -2.259 2.389
3 H3 LYS 1 2H LYS 1 8.308 -3.738 3.077
4 HA LYS 1 HA LYS 1 9.307 -2.745 5.030
5 1HB LYS 1 1HB LYS 1 11.496 -2.453 4.173
6 2HB LYS 1 2HB LYS 1 10.703 -3.622 3.140
7 1HG LYS 1 1HG LYS 1 10.192 -1.546 1.597
8 2HG LYS 1 2HG LYS 1 11.463 -0.753 2.512
9 1HD LYS 1 1HD LYS 1 11.815 -3.374 0.979
10 2HD LYS 1 2HD LYS 1 12.167 -1.773 0.371
11 1HE LYS 1 1HE LYS 1 14.252 -2.487 1.015
12 2HE LYS 1 2HE LYS 1 13.782 -1.524 2.408
13 1HZ LYS 1 1HZ LYS 1 13.617 -4.501 2.273
14 2HZ LYS 1 3HZ LYS 1 14.798 -3.664 3.014
15 3HZ LYS 1 2HZ LYS 1 13.278 -3.630 3.582
16 H TYR 2 H TYR 2 10.847 -0.665 5.490
17 HA TYR 2 HA TYR 2 9.098 1.538 5.956
18 1HB TYR 2 1HB TYR 2 11.887 1.983 6.520
19 2HB TYR 2 2HB TYR 2 10.599 1.693 7.669
20 HD1 TYR 2 HD1 TYR 2 10.445 -0.492 8.788
21 HD2 TYR 2 HD2 TYR 2 13.253 0.100 5.555
22 HE1 TYR 2 HE1 TYR 2 11.584 -2.648 9.354
23 HE2 TYR 2 HE2 TYR 2 14.322 -2.061 6.094
24 HH TYR 2 HH TYR 2 14.371 -3.880 7.499
25 H TYR 3 H TYR 3 11.873 0.886 3.901
26 HA TYR 3 HA TYR 3 11.708 3.075 2.028
27 1HB TYR 3 1HB TYR 3 12.562 4.429 3.883
28 2HB TYR 3 2HB TYR 3 13.695 3.162 4.331
29 HD1 TYR 3 HD1 TYR 3 12.858 5.594 1.588
30 HD2 TYR 3 HD2 TYR 3 15.891 3.161 3.431
31 HE1 TYR 3 HE1 TYR 3 14.594 6.680 0.175
32 HE2 TYR 3 HE2 TYR 3 17.614 4.205 2.033
33 HH TYR 3 HH TYR 3 18.069 5.836 0.444
34 H GLY 4 H GLY 4 12.623 2.256 0.248
35 1HA GLY 4 2HA GLY 4 13.492 0.588 -1.076
36 2HA GLY 4 1HA GLY 4 13.989 -0.352 0.323
37 H ASN 5 H ASN 5 15.900 -0.850 -0.829
38 HA ASN 5 HA ASN 5 18.173 0.847 -0.379
39 1HB ASN 5 1HB ASN 5 17.799 -1.688 -2.024
40 2HB ASN 5 2HB ASN 5 19.345 -0.888 -1.760
41 1HD2 ASN 5 1HD2 ASN 5 20.328 -0.966 0.339
42 2HD2 ASN 5 2HD2 ASN 5 19.689 -2.046 1.570
43 H GLY 6 H GLY 6 16.024 0.444 -3.105
44 1HA GLY 6 2HA GLY 6 16.330 1.448 -5.369
45 2HA GLY 6 1HA GLY 6 17.322 2.705 -4.626
46 H VAL 7 H VAL 7 15.959 3.314 -2.413
47 HA VAL 7 HA VAL 7 14.436 4.601 -1.432
48 HB VAL 7 HB VAL 7 13.338 5.288 -4.181
49 1HG1 VAL 7 3HG1 VAL 7 13.189 6.634 -1.459
50 2HG1 VAL 7 1HG1 VAL 7 12.691 7.391 -2.996
51 3HG1 VAL 7 2HG1 VAL 7 11.839 5.956 -2.403
52 1HG2 VAL 7 3HG2 VAL 7 15.473 6.652 -2.489
53 2HG2 VAL 7 1HG2 VAL 7 15.787 5.849 -4.048
54 3HG2 VAL 7 2HG2 VAL 7 14.798 7.312 -3.988
55 H HIS 8 H HIS 8 12.990 2.500 -3.795
56 HA HIS 8 HA HIS 8 10.694 1.921 -1.930
57 1HB HIS 8 1HB HIS 8 10.812 2.267 -4.968
58 2HB HIS 8 2HB HIS 8 9.389 1.759 -4.078
59 HD1 HIS 8 HD1 HIS 8 9.405 4.322 -5.933
60 HD2 HIS 8 HD2 HIS 8 9.728 4.136 -1.725
61 HE1 HIS 8 HE1 HIS 8 8.465 6.491 -5.066
62 HE2 HIS 8 HE2 HIS 8 8.631 6.394 -2.474
63 H CYS 9 H CYS 9 13.269 0.174 -2.939
64 HA CYS 9 HA CYS 9 11.641 -2.177 -3.853
65 1HB CYS 9 1HB CYS 9 14.588 -1.772 -4.420
66 2HB CYS 9 2HB CYS 9 13.476 -2.835 -5.218
67 H GLY 10 H GLY 10 11.823 -4.051 -2.747
68 1HA GLY 10 2HA GLY 10 12.252 -5.174 -0.623
69 2HA GLY 10 1HA GLY 10 13.845 -4.384 -0.549
70 H LYS 11 H LYS 11 11.872 -6.590 -2.502
71 HA LYS 11 HA LYS 11 14.345 -8.056 -3.413
72 1HB LYS 11 1HB LYS 11 11.796 -9.288 -2.251
73 2HB LYS 11 2HB LYS 11 13.034 -10.215 -3.105
74 1HG LYS 11 1HG LYS 11 14.750 -9.362 -1.441
75 2HG LYS 11 2HG LYS 11 13.455 -8.560 -0.583
76 1HD LYS 11 1HD LYS 11 13.941 -10.622 0.543
77 2HD LYS 11 2HD LYS 11 12.359 -10.801 -0.201
78 1HE LYS 11 1HE LYS 11 13.345 -12.113 -2.061
79 2HE LYS 11 2HE LYS 11 14.963 -11.883 -1.400
80 1HZ LYS 11 2HZ LYS 11 12.777 -13.297 -0.017
81 2HZ LYS 11 1HZ LYS 11 14.062 -14.001 -0.761
82 3HZ LYS 11 3HZ LYS 11 14.284 -13.085 0.568
83 H HIS 12 H HIS 12 11.263 -6.826 -4.365
84 HA HIS 12 HA HIS 12 11.950 -7.270 -7.184
85 1HB HIS 12 1HB HIS 12 9.736 -8.572 -7.618
86 2HB HIS 12 2HB HIS 12 11.078 -9.441 -6.902
87 HD1 HIS 12 HD1 HIS 12 7.799 -7.722 -5.620
88 HD2 HIS 12 HD2 HIS 12 10.610 -10.755 -4.735
89 HE1 HIS 12 HE1 HIS 12 6.920 -8.920 -3.560
90 HE2 HIS 12 HE2 HIS 12 8.618 -10.760 -2.994
91 H SER 13 H SER 13 9.659 -5.909 -4.872
92 HA SER 13 HA SER 13 8.244 -4.509 -7.089
93 1HB SER 13 1HB SER 13 7.396 -4.994 -4.225
94 2HB SER 13 2HB SER 13 6.447 -4.162 -5.472
95 HG SER 13 HG SER 13 5.859 -6.331 -5.443
96 H CYS 14 H CYS 14 9.305 -2.649 -7.544
97 HA CYS 14 HA CYS 14 10.425 -0.938 -5.474
98 1HB CYS 14 1HB CYS 14 10.146 -0.712 -8.457
99 2HB CYS 14 2HB CYS 14 10.895 0.542 -7.447
100 H THR 15 H THR 15 7.873 -1.255 -4.751
101 HA THR 15 HA THR 15 7.067 1.554 -4.501
102 HB THR 15 HB THR 15 4.622 0.927 -4.443
103 HG1 THR 15 HG1 THR 15 5.039 -1.345 -4.455
104 1HG2 THR 15 1HG2 THR 15 5.668 2.173 -6.353
105 2HG2 THR 15 3HG2 THR 15 5.902 0.599 -7.180
106 3HG2 THR 15 2HG2 THR 15 4.273 1.204 -6.804
107 H VAL 16 H VAL 16 8.319 1.302 -2.702
108 HA VAL 16 HA VAL 16 9.207 0.515 -0.820
109 HB VAL 16 HB VAL 16 6.715 0.750 0.746
110 1HG1 VAL 16 1HG1 VAL 16 9.052 0.656 1.685
111 2HG1 VAL 16 2HG1 VAL 16 9.423 2.180 0.845
112 3HG1 VAL 16 3HG1 VAL 16 8.180 2.134 2.122
113 1HG2 VAL 16 2HG2 VAL 16 7.801 3.142 -0.795
114 2HG2 VAL 16 3HG2 VAL 16 6.193 2.431 -0.956
115 3HG2 VAL 16 1HG2 VAL 16 6.636 3.183 0.560
116 H ASP 17 H ASP 17 8.694 -1.612 -2.251
117 HA ASP 17 HA ASP 17 8.185 -3.765 -2.518
118 1HB ASP 17 1HB ASP 17 10.205 -3.618 -0.948
119 2HB ASP 17 2HB ASP 17 9.123 -4.271 0.275
120 H TRP 18 H TRP 18 6.203 -2.394 -0.075
121 HA TRP 18 HA TRP 18 4.571 -4.737 0.431
122 1HB TRP 18 1HB TRP 18 3.305 -3.305 1.847
123 2HB TRP 18 2HB TRP 18 4.988 -3.121 2.172
124 HD1 TRP 18 HD1 TRP 18 4.312 -1.070 -0.828
125 HE1 TRP 18 HE1 TRP 18 3.991 1.336 -0.298
126 HE3 TRP 18 HE3 TRP 18 3.740 -1.485 4.261
127 HZ2 TRP 18 HZ2 TRP 18 3.491 2.992 2.070
128 HZ3 TRP 18 HZ3 TRP 18 3.282 0.546 5.602
129 HH2 TRP 18 HH2 TRP 18 3.162 2.777 4.530
130 H GLY 19 H GLY 19 4.740 -3.091 -2.325
131 1HA GLY 19 2HA GLY 19 3.360 -2.625 -4.146
132 2HA GLY 19 1HA GLY 19 2.515 -1.689 -2.898
133 H THR 20 H THR 20 2.473 -5.248 -3.065
134 HA THR 20 HA THR 20 -0.090 -5.353 -4.468
135 HB THR 20 HB THR 20 1.443 -7.514 -2.967
136 HG1 THR 20 HG1 THR 20 2.455 -6.685 -4.832
137 1HG2 THR 20 1HG2 THR 20 -0.894 -7.770 -4.917
138 2HG2 THR 20 3HG2 THR 20 0.094 -9.098 -4.314
139 3HG2 THR 20 2HG2 THR 20 -0.912 -8.191 -3.178
140 H ALA 21 H ALA 21 0.845 -5.495 -1.022
141 HA ALA 21 HA ALA 21 -1.833 -6.037 -0.016
142 1HB ALA 21 1HB ALA 21 0.525 -4.629 1.289
143 2HB ALA 21 2HB ALA 21 -0.909 -5.247 2.127
144 3HB ALA 21 3HB ALA 21 0.184 -6.385 1.331
145 H ILE 22 H ILE 22 0.042 -3.042 -0.631
146 HA ILE 22 HA ILE 22 -2.018 -1.168 0.018
147 HB ILE 22 HB ILE 22 0.241 -0.804 -1.979
148 1HG1 ILE 22 1HG1 ILE 22 1.240 -1.466 0.104
149 2HG1 ILE 22 2HG1 ILE 22 1.467 0.262 -0.127
150 1HG2 ILE 22 3HG2 ILE 22 -1.430 1.254 -0.529
151 2HG2 ILE 22 1HG2 ILE 22 0.047 1.609 -1.433
152 3HG2 ILE 22 2HG2 ILE 22 -1.361 0.947 -2.279
153 1HD1 ILE 22 2HD1 ILE 22 -0.391 0.716 1.498
154 2HD1 ILE 22 3HD1 ILE 22 -0.525 -1.033 1.786
155 3HD1 ILE 22 1HD1 ILE 22 0.960 -0.175 2.186
156 H GLY 23 H GLY 23 -1.283 -2.837 -3.051
157 1HA GLY 23 2HA GLY 23 -2.603 -3.322 -4.855
158 2HA GLY 23 1HA GLY 23 -3.211 -1.662 -4.754
159 H ASN 24 H ASN 24 -3.566 -4.644 -2.735
160 HA ASN 24 HA ASN 24 -6.300 -5.122 -3.255
161 1HB ASN 24 1HB ASN 24 -4.789 -6.764 -2.233
162 2HB ASN 24 2HB ASN 24 -4.649 -5.792 -0.761
163 1HD2 ASN 24 1HD2 ASN 24 -7.061 -7.512 -2.821
164 2HD2 ASN 24 2HD2 ASN 24 -8.140 -7.855 -1.467
165 H ILE 25 H ILE 25 -4.837 -3.312 -0.566
166 HA ILE 25 HA ILE 25 -7.248 -2.475 0.736
167 HB ILE 25 HB ILE 25 -4.478 -1.261 0.721
168 1HG1 ILE 25 1HG1 ILE 25 -5.902 -2.652 3.018
169 2HG1 ILE 25 2HG1 ILE 25 -5.063 -3.610 1.835
170 1HG2 ILE 25 2HG2 ILE 25 -6.873 -0.453 2.441
171 2HG2 ILE 25 3HG2 ILE 25 -5.213 0.056 2.699
172 3HG2 ILE 25 1HG2 ILE 25 -6.059 0.554 1.229
173 1HD1 ILE 25 2HD1 ILE 25 -2.960 -2.318 2.293
174 2HD1 ILE 25 3HD1 ILE 25 -3.831 -1.464 3.612
175 3HD1 ILE 25 1HD1 ILE 25 -3.581 -3.211 3.700
176 H GLY 26 H GLY 26 -5.230 -0.639 -1.580
177 1HA GLY 26 2HA GLY 26 -5.734 1.069 -3.034
178 2HA GLY 26 1HA GLY 26 -6.854 1.615 -1.805
179 H ASN 27 H ASN 27 -6.902 -1.300 -3.913
180 HA ASN 27 HA ASN 27 -8.849 -0.450 -5.791
181 1HB ASN 27 1HB ASN 27 -7.330 -2.346 -6.073
182 2HB ASN 27 2HB ASN 27 -8.147 -3.260 -4.826
183 1HD2 ASN 27 1HD2 ASN 27 -8.551 -1.799 -8.058
184 2HD2 ASN 27 2HD2 ASN 27 -9.859 -2.863 -8.553
185 H ASN 28 H ASN 28 -9.431 -2.574 -2.910
186 HA ASN 28 HA ASN 28 -12.301 -2.335 -3.271
187 1HB ASN 28 1HB ASN 28 -10.495 -3.702 -1.252
188 2HB ASN 28 2HB ASN 28 -12.225 -3.576 -0.952
189 1HD2 ASN 28 1HD2 ASN 28 -13.715 -4.557 -2.633
190 2HD2 ASN 28 2HD2 ASN 28 -13.014 -5.907 -3.539
191 H ALA 29 H ALA 29 -10.003 -0.447 -1.330
192 HA ALA 29 HA ALA 29 -12.007 0.891 0.212
193 1HB ALA 29 1HB ALA 29 -9.645 1.144 0.746
194 2HB ALA 29 2HB ALA 29 -9.334 1.924 -0.824
195 3HB ALA 29 3HB ALA 29 -10.363 2.727 0.374
196 H ALA 30 H ALA 30 -10.605 1.666 -3.021
197 HA ALA 30 HA ALA 30 -12.353 3.860 -3.590
198 1HB ALA 30 2HB ALA 30 -10.827 1.991 -5.446
199 2HB ALA 30 3HB ALA 30 -11.498 3.574 -5.909
200 3HB ALA 30 1HB ALA 30 -10.201 3.504 -4.718
201 H ALA 31 H ALA 31 -12.787 0.374 -4.008
202 HA ALA 31 HA ALA 31 -15.143 0.444 -5.630
203 1HB ALA 31 1HB ALA 31 -13.712 -1.576 -5.135
204 2HB ALA 31 3HB ALA 31 -15.476 -1.822 -4.993
205 3HB ALA 31 2HB ALA 31 -14.477 -1.681 -3.540
206 H ASN 32 H ASN 32 -14.847 0.412 -2.021
207 HA ASN 32 HA ASN 32 -17.439 1.807 -1.852
208 1HB ASN 32 1HB ASN 32 -18.563 0.149 -0.530
209 2HB ASN 32 2HB ASN 32 -18.063 -0.570 -2.063
210 1HD2 ASN 32 1HD2 ASN 32 -17.474 -0.555 1.459
211 2HD2 ASN 32 2HD2 ASN 32 -16.531 -2.043 1.416
212 H TRP 33 H TRP 33 -14.475 0.906 -0.108
213 HA TRP 33 HA TRP 33 -15.642 1.549 2.474
214 1HB TRP 33 1HB TRP 33 -13.549 0.006 1.709
215 2HB TRP 33 2HB TRP 33 -12.670 1.442 2.185
216 HD1 TRP 33 HD1 TRP 33 -13.811 2.307 4.848
217 HE1 TRP 33 HE1 TRP 33 -13.923 0.789 6.914
218 HE3 TRP 33 HE3 TRP 33 -13.457 -2.286 2.570
219 HZ2 TRP 33 HZ2 TRP 33 -13.699 -2.009 7.534
220 HZ3 TRP 33 HZ3 TRP 33 -13.388 -4.354 3.930
221 HH2 TRP 33 HH2 TRP 33 -13.526 -4.233 6.406
222 H ALA 34 H ALA 34 -13.652 3.362 0.212
223 HA ALA 34 HA ALA 34 -12.802 5.466 1.931
224 1HB ALA 34 1HB ALA 34 -11.755 4.840 -0.210
225 2HB ALA 34 3HB ALA 34 -12.146 6.552 -0.177
226 3HB ALA 34 2HB ALA 34 -13.157 5.430 -1.112
227 H THR 35 H THR 35 -15.898 4.968 0.705
228 HA THR 35 HA THR 35 -16.782 7.706 1.524
229 HB THR 35 HB THR 35 -16.811 7.291 -0.925
230 HG1 THR 35 HG1 THR 35 -18.880 8.191 -1.142
231 1HG2 THR 35 1HG2 THR 35 -17.564 4.950 -1.003
232 2HG2 THR 35 3HG2 THR 35 -19.136 5.422 -0.314
233 3HG2 THR 35 2HG2 THR 35 -18.654 6.008 -1.909
234 H GLY 36 H GLY 36 -16.773 4.692 2.609
235 1HA GLY 36 2HA GLY 36 -18.216 3.239 3.751
236 2HA GLY 36 1HA GLY 36 -19.589 4.227 3.298
237 H GLY 37 H GLY 37 -17.000 5.952 4.871
238 1HA GLY 37 2HA GLY 37 -17.858 5.584 7.603
239 2HA GLY 37 1HA GLY 37 -18.545 7.051 6.902
240 H ASN 38 H ASN 38 -17.176 7.764 8.878
241 HA ASN 38 HA ASN 38 -14.680 8.966 8.061
242 1HB ASN 38 1HB ASN 38 -16.337 9.957 9.662
243 2HB ASN 38 2HB ASN 38 -15.964 8.664 10.818
244 1HD2 ASN 38 1HD2 ASN 38 -14.917 9.849 12.467
245 2HD2 ASN 38 2HD2 ASN 38 -13.479 10.820 12.164
246 H ALA 39 H ALA 39 -12.648 8.665 9.135
247 HA ALA 39 HA ALA 39 -10.773 7.491 9.507
248 1HB ALA 39 2HB ALA 39 -11.650 7.387 11.773
249 2HB ALA 39 3HB ALA 39 -12.489 5.854 11.405
250 3HB ALA 39 1HB ALA 39 -10.717 5.931 11.387
251 H GLY 40 H GLY 40 -12.894 4.638 9.630
252 1HA GLY 40 2HA GLY 40 -12.346 3.720 6.973
253 2HA GLY 40 1HA GLY 40 -13.069 2.742 8.263
254 H TRP 41 H TRP 41 -11.528 1.783 6.314
255 HA TRP 41 HA TRP 41 -9.770 -0.022 7.504
256 1HB TRP 41 1HB TRP 41 -10.992 -0.030 5.266
257 2HB TRP 41 2HB TRP 41 -9.720 1.003 4.642
258 HD1 TRP 41 HD1 TRP 41 -7.906 -1.382 6.624
259 HE1 TRP 41 HE1 TRP 41 -7.137 -3.433 5.296
260 HE3 TRP 41 HE3 TRP 41 -10.878 -0.787 2.528
261 HZ2 TRP 41 HZ2 TRP 41 -7.922 -4.795 2.840
262 HZ3 TRP 41 HZ3 TRP 41 -10.861 -2.480 0.718
263 HH2 TRP 41 HH2 TRP 41 -9.391 -4.486 0.869
264 H ASN 42 H ASN 42 -7.682 -0.048 8.057
265 HA ASN 42 HA ASN 42 -5.839 2.139 8.001
266 1HB ASN 42 1HB ASN 42 -4.172 0.530 8.607
267 2HB ASN 42 2HB ASN 42 -5.652 0.070 9.456
268 1HD2 ASN 42 1HD2 ASN 42 -3.387 -0.874 6.868
269 2HD2 ASN 42 2HD2 ASN 42 -4.124 -2.463 6.628
270 H LYS 43 H LYS 43 -4.021 2.518 6.785
271 HA LYS 43 HA LYS 43 -3.965 1.551 3.958
272 1HB LYS 43 1HB LYS 43 -3.466 4.425 4.830
273 2HB LYS 43 2HB LYS 43 -3.712 3.800 3.192
274 1HG LYS 43 1HG LYS 43 -6.066 3.105 4.002
275 2HG LYS 43 2HG LYS 43 -5.763 4.114 5.400
276 1HD LYS 43 1HD LYS 43 -6.992 5.499 3.860
277 2HD LYS 43 2HD LYS 43 -5.354 6.090 3.908
278 1HE LYS 43 1HE LYS 43 -6.156 6.121 1.646
279 2HE LYS 43 2HE LYS 43 -4.865 4.930 1.765
280 1HZ LYS 43 1HZ LYS 43 -6.646 3.201 1.870
281 2HZ LYS 43 3HZ LYS 43 -7.787 4.359 1.710
282 3HZ LYS 43 2HZ LYS 43 -6.751 4.071 0.492
No H/Q in entry = 282
Start of MODEL 3
1 H1 LYS 1 3H LYS 1 -15.435 0.307 4.342
2 H2 LYS 1 2H LYS 1 -14.134 -0.074 3.425
3 H3 LYS 1 1H LYS 1 -14.915 1.374 3.238
4 HA LYS 1 HA LYS 1 -16.884 0.310 2.449
5 1HB LYS 1 1HB LYS 1 -14.721 0.774 0.950
6 2HB LYS 1 2HB LYS 1 -14.759 -0.964 0.730
7 1HG LYS 1 1HG LYS 1 -17.080 -0.783 -0.129
8 2HG LYS 1 2HG LYS 1 -17.098 0.971 0.199
9 1HD LYS 1 1HD LYS 1 -15.247 1.271 -1.465
10 2HD LYS 1 2HD LYS 1 -15.250 -0.487 -1.723
11 1HE LYS 1 1HE LYS 1 -17.614 -0.361 -2.449
12 2HE LYS 1 2HE LYS 1 -17.589 1.398 -2.272
13 1HZ LYS 1 3HZ LYS 1 -15.837 -0.109 -4.133
14 2HZ LYS 1 2HZ LYS 1 -17.185 0.699 -4.567
15 3HZ LYS 1 1HZ LYS 1 -15.900 1.515 -4.003
16 H TYR 2 H TYR 2 -17.579 -1.855 1.270
17 HA TYR 2 HA TYR 2 -18.351 -3.450 3.431
18 1HB TYR 2 1HB TYR 2 -18.490 -4.221 0.514
19 2HB TYR 2 2HB TYR 2 -19.570 -4.717 1.817
20 HD1 TYR 2 HD1 TYR 2 -20.738 -2.696 3.103
21 HD2 TYR 2 HD2 TYR 2 -19.266 -2.486 -0.932
22 HE1 TYR 2 HE1 TYR 2 -22.296 -0.753 2.605
23 HE2 TYR 2 HE2 TYR 2 -20.779 -0.558 -1.399
24 HH TYR 2 HH TYR 2 -23.010 0.713 1.026
25 H TYR 3 H TYR 3 -15.505 -3.974 1.541
26 HA TYR 3 HA TYR 3 -14.969 -6.610 2.734
27 1HB TYR 3 1HB TYR 3 -16.374 -7.148 0.822
28 2HB TYR 3 2HB TYR 3 -15.403 -6.141 -0.242
29 HD1 TYR 3 HD1 TYR 3 -14.498 -8.933 2.156
30 HD2 TYR 3 HD2 TYR 3 -14.505 -7.430 -1.882
31 HE1 TYR 3 HE1 TYR 3 -13.100 -10.873 1.414
32 HE2 TYR 3 HE2 TYR 3 -13.215 -9.395 -2.620
33 HH TYR 3 HH TYR 3 -12.064 -11.894 -0.348
34 H GLY 4 H GLY 4 -12.760 -7.470 1.634
35 1HA GLY 4 2HA GLY 4 -10.742 -7.012 2.805
36 2HA GLY 4 1HA GLY 4 -10.850 -5.299 2.427
37 H ASN 5 H ASN 5 -11.448 -7.143 -0.406
38 HA ASN 5 HA ASN 5 -8.548 -7.219 -1.131
39 1HB ASN 5 1HB ASN 5 -9.831 -9.323 -1.120
40 2HB ASN 5 2HB ASN 5 -10.875 -8.672 -2.391
41 1HD2 ASN 5 1HD2 ASN 5 -7.378 -9.437 -1.692
42 2HD2 ASN 5 2HD2 ASN 5 -7.050 -9.806 -3.371
43 H GLY 6 H GLY 6 -10.758 -7.249 -3.785
44 1HA GLY 6 2HA GLY 6 -10.307 -6.070 -5.765
45 2HA GLY 6 1HA GLY 6 -9.436 -4.844 -4.860
46 H VAL 7 H VAL 7 -12.109 -5.010 -3.154
47 HA VAL 7 HA VAL 7 -14.248 -4.030 -4.780
48 HB VAL 7 HB VAL 7 -14.292 -5.312 -2.573
49 1HG1 VAL 7 2HG1 VAL 7 -12.885 -3.817 -1.191
50 2HG1 VAL 7 3HG1 VAL 7 -14.128 -2.541 -1.331
51 3HG1 VAL 7 1HG1 VAL 7 -14.490 -4.038 -0.499
52 1HG2 VAL 7 3HG2 VAL 7 -16.331 -4.529 -3.645
53 2HG2 VAL 7 1HG2 VAL 7 -16.428 -4.488 -1.881
54 3HG2 VAL 7 2HG2 VAL 7 -16.203 -2.972 -2.807
55 H HIS 8 H HIS 8 -11.684 -2.339 -3.359
56 HA HIS 8 HA HIS 8 -13.060 -0.207 -2.130
57 1HB HIS 8 1HB HIS 8 -10.134 -0.357 -2.909
58 2HB HIS 8 2HB HIS 8 -10.821 0.721 -1.688
59 HD1 HIS 8 HD1 HIS 8 -9.323 -2.654 -1.894
60 HD2 HIS 8 HD2 HIS 8 -12.262 -0.678 0.408
61 HE1 HIS 8 HE1 HIS 8 -9.726 -4.080 0.143
62 HE2 HIS 8 HE2 HIS 8 -11.589 -2.954 1.510
63 H CYS 9 H CYS 9 -12.536 2.045 -2.291
64 HA CYS 9 HA CYS 9 -12.533 4.075 -3.147
65 1HB CYS 9 1HB CYS 9 -10.410 3.016 -4.195
66 2HB CYS 9 2HB CYS 9 -11.276 3.186 -5.728
67 H GLY 10 H GLY 10 -12.912 5.277 -5.504
68 1HA GLY 10 2HA GLY 10 -15.850 5.151 -5.717
69 2HA GLY 10 1HA GLY 10 -14.923 4.904 -7.219
70 H LYS 11 H LYS 11 -15.705 7.159 -4.673
71 HA LYS 11 HA LYS 11 -14.920 9.528 -6.215
72 1HB LYS 11 1HB LYS 11 -17.041 9.384 -4.895
73 2HB LYS 11 2HB LYS 11 -16.093 9.394 -3.413
74 1HG LYS 11 1HG LYS 11 -15.188 11.635 -4.026
75 2HG LYS 11 2HG LYS 11 -16.003 11.549 -5.593
76 1HD LYS 11 1HD LYS 11 -17.263 13.010 -4.132
77 2HD LYS 11 2HD LYS 11 -18.207 11.549 -4.417
78 1HE LYS 11 1HE LYS 11 -17.457 10.637 -2.218
79 2HE LYS 11 2HE LYS 11 -16.464 12.074 -1.980
80 1HZ LYS 11 2HZ LYS 11 -18.500 13.410 -1.953
81 2HZ LYS 11 1HZ LYS 11 -19.408 12.068 -2.165
82 3HZ LYS 11 3HZ LYS 11 -18.550 12.297 -0.790
83 H HIS 12 H HIS 12 -12.769 8.562 -6.220
84 HA HIS 12 HA HIS 12 -10.562 8.323 -5.728
85 1HB HIS 12 1HB HIS 12 -9.474 10.407 -5.649
86 2HB HIS 12 2HB HIS 12 -10.961 10.660 -6.516
87 HD1 HIS 12 HD1 HIS 12 -12.542 12.496 -5.601
88 HD2 HIS 12 HD2 HIS 12 -9.436 11.357 -2.990
89 HE1 HIS 12 HE1 HIS 12 -12.566 14.205 -3.630
90 HE2 HIS 12 HE2 HIS 12 -10.661 13.489 -2.073
91 H SER 13 H SER 13 -12.295 8.309 -2.914
92 HA SER 13 HA SER 13 -10.114 8.452 -1.000
93 1HB SER 13 1HB SER 13 -13.009 7.538 -0.691
94 2HB SER 13 2HB SER 13 -11.898 7.845 0.623
95 HG SER 13 HG SER 13 -12.767 9.715 -1.336
96 H CYS 14 H CYS 14 -8.897 6.812 -2.430
97 HA CYS 14 HA CYS 14 -9.757 4.051 -2.289
98 1HB CYS 14 1HB CYS 14 -7.068 5.186 -3.126
99 2HB CYS 14 2HB CYS 14 -7.676 3.586 -3.452
100 H THR 15 H THR 15 -8.798 2.272 -1.257
101 HA THR 15 HA THR 15 -6.676 2.501 0.674
102 HB THR 15 HB THR 15 -8.611 3.461 1.951
103 HG1 THR 15 HG1 THR 15 -8.209 2.170 3.744
104 1HG2 THR 15 1HG2 THR 15 -10.468 2.058 1.036
105 2HG2 THR 15 3HG2 THR 15 -9.797 0.650 1.892
106 3HG2 THR 15 2HG2 THR 15 -10.391 2.061 2.795
107 H VAL 16 H VAL 16 -6.736 0.276 2.000
108 HA VAL 16 HA VAL 16 -7.912 -2.003 0.759
109 HB VAL 16 HB VAL 16 -4.865 -2.015 0.846
110 1HG1 VAL 16 2HG1 VAL 16 -5.878 -4.310 1.157
111 2HG1 VAL 16 3HG1 VAL 16 -6.829 -4.064 -0.329
112 3HG1 VAL 16 1HG1 VAL 16 -5.079 -4.180 -0.389
113 1HG2 VAL 16 2HG2 VAL 16 -6.561 -1.952 -1.674
114 2HG2 VAL 16 3HG2 VAL 16 -5.467 -0.655 -1.126
115 3HG2 VAL 16 1HG2 VAL 16 -4.804 -2.189 -1.614
116 H ASP 17 H ASP 17 -7.977 -3.814 2.240
117 HA ASP 17 HA ASP 17 -7.413 -3.206 5.033
118 1HB ASP 17 1HB ASP 17 -9.376 -4.495 4.312
119 2HB ASP 17 2HB ASP 17 -8.324 -5.770 3.708
120 H TRP 18 H TRP 18 -5.107 -2.755 4.491
121 HA TRP 18 HA TRP 18 -3.318 -5.156 4.749
122 1HB TRP 18 1HB TRP 18 -2.112 -4.646 2.831
123 2HB TRP 18 2HB TRP 18 -3.770 -4.527 2.346
124 HD1 TRP 18 HD1 TRP 18 -3.810 -1.381 3.784
125 HE1 TRP 18 HE1 TRP 18 -2.857 0.477 2.470
126 HE3 TRP 18 HE3 TRP 18 -1.074 -4.128 0.416
127 HZ2 TRP 18 HZ2 TRP 18 -1.162 0.842 0.110
128 HZ3 TRP 18 HZ3 TRP 18 0.253 -2.979 -1.337
129 HH2 TRP 18 HH2 TRP 18 0.190 -0.479 -1.511
130 H GLY 19 H GLY 19 -3.848 -2.853 6.659
131 1HA GLY 19 2HA GLY 19 -2.648 -1.601 8.166
132 2HA GLY 19 1HA GLY 19 -1.898 -0.917 6.753
133 H THR 20 H THR 20 -1.319 -4.267 7.812
134 HA THR 20 HA THR 20 1.306 -3.770 8.937
135 HB THR 20 HB THR 20 0.230 -6.339 7.723
136 HG1 THR 20 HG1 THR 20 -0.326 -6.757 9.916
137 1HG2 THR 20 3HG2 THR 20 2.394 -5.833 9.817
138 2HG2 THR 20 2HG2 THR 20 1.753 -7.440 9.339
139 3HG2 THR 20 1HG2 THR 20 2.662 -6.471 8.187
140 H ALA 21 H ALA 21 0.257 -4.484 5.602
141 HA ALA 21 HA ALA 21 2.928 -4.703 4.488
142 1HB ALA 21 3HB ALA 21 0.303 -4.014 3.092
143 2HB ALA 21 1HB ALA 21 1.799 -4.553 2.336
144 3HB ALA 21 2HB ALA 21 0.908 -5.669 3.371
145 H ILE 22 H ILE 22 0.671 -2.008 5.042
146 HA ILE 22 HA ILE 22 2.244 0.073 3.885
147 HB ILE 22 HB ILE 22 0.604 0.421 6.418
148 1HG1 ILE 22 1HG1 ILE 22 -0.328 0.543 3.523
149 2HG1 ILE 22 2HG1 ILE 22 -0.828 -0.666 4.711
150 1HG2 ILE 22 1HG2 ILE 22 2.150 2.295 5.774
151 2HG2 ILE 22 2HG2 ILE 22 1.401 2.365 4.195
152 3HG2 ILE 22 3HG2 ILE 22 0.468 2.774 5.635
153 1HD1 ILE 22 1HD1 ILE 22 -1.736 1.294 6.111
154 2HD1 ILE 22 2HD1 ILE 22 -1.564 2.259 4.627
155 3HD1 ILE 22 3HD1 ILE 22 -2.618 0.829 4.653
156 H GLY 23 H GLY 23 2.423 -1.468 7.102
157 1HA GLY 23 2HA GLY 23 4.150 -1.608 8.642
158 2HA GLY 23 1HA GLY 23 4.528 0.085 8.203
159 H ASN 24 H ASN 24 4.714 -3.060 6.508
160 HA ASN 24 HA ASN 24 7.513 -3.300 6.310
161 1HB ASN 24 1HB ASN 24 6.176 -5.219 5.881
162 2HB ASN 24 2HB ASN 24 5.170 -4.371 4.729
163 1HD2 ASN 24 1HD2 ASN 24 8.515 -5.758 5.064
164 2HD2 ASN 24 2HD2 ASN 24 8.655 -5.912 3.313
165 H ILE 25 H ILE 25 5.315 -1.741 3.961
166 HA ILE 25 HA ILE 25 7.204 -0.851 2.029
167 HB ILE 25 HB ILE 25 4.487 0.191 2.937
168 1HG1 ILE 25 1HG1 ILE 25 5.329 -0.982 0.279
169 2HG1 ILE 25 2HG1 ILE 25 4.904 -2.022 1.617
170 1HG2 ILE 25 3HG2 ILE 25 6.173 1.252 0.626
171 2HG2 ILE 25 1HG2 ILE 25 4.470 1.625 0.881
172 3HG2 ILE 25 2HG2 ILE 25 5.669 2.192 2.055
173 1HD1 ILE 25 1HD1 ILE 25 2.623 -0.962 1.727
174 2HD1 ILE 25 2HD1 ILE 25 3.030 -0.081 0.234
175 3HD1 ILE 25 3HD1 ILE 25 3.011 -1.844 0.229
176 H GLY 26 H GLY 26 5.976 0.889 4.917
177 1HA GLY 26 2HA GLY 26 6.902 2.556 6.214
178 2HA GLY 26 1HA GLY 26 7.592 3.191 4.725
179 H ASN 27 H ASN 27 8.255 0.191 6.544
180 HA ASN 27 HA ASN 27 10.805 0.918 7.588
181 1HB ASN 27 1HB ASN 27 9.678 -1.829 6.879
182 2HB ASN 27 2HB ASN 27 11.199 -1.588 7.730
183 1HD2 ASN 27 1HD2 ASN 27 8.860 -3.026 8.758
184 2HD2 ASN 27 2HD2 ASN 27 8.430 -2.106 10.200
185 H ASN 28 H ASN 28 9.997 -0.581 4.433
186 HA ASN 28 HA ASN 28 12.776 -0.806 3.600
187 1HB ASN 28 1HB ASN 28 10.996 -2.324 2.754
188 2HB ASN 28 2HB ASN 28 10.088 -0.945 2.128
189 1HD2 ASN 28 1HD2 ASN 28 12.924 -3.051 1.645
190 2HD2 ASN 28 2HD2 ASN 28 13.207 -2.460 0.013
191 H ALA 29 H ALA 29 10.265 1.633 2.963
192 HA ALA 29 HA ALA 29 11.879 3.365 1.368
193 1HB ALA 29 3HB ALA 29 9.751 4.144 3.437
194 2HB ALA 29 1HB ALA 29 10.336 5.104 2.063
195 3HB ALA 29 2HB ALA 29 9.409 3.615 1.777
196 H ALA 30 H ALA 30 11.606 3.134 4.926
197 HA ALA 30 HA ALA 30 13.621 5.098 5.488
198 1HB ALA 30 3HB ALA 30 11.837 4.405 7.079
199 2HB ALA 30 2HB ALA 30 13.462 4.274 7.770
200 3HB ALA 30 1HB ALA 30 12.638 2.817 7.233
201 H ALA 31 H ALA 31 13.906 1.671 4.568
202 HA ALA 31 HA ALA 31 16.576 1.349 5.559
203 1HB ALA 31 3HB ALA 31 15.147 -0.125 3.311
204 2HB ALA 31 1HB ALA 31 16.640 -0.624 4.112
205 3HB ALA 31 2HB ALA 31 15.142 -0.547 5.043
206 H ASN 32 H ASN 32 15.522 1.774 2.146
207 HA ASN 32 HA ASN 32 17.938 3.468 1.560
208 1HB ASN 32 1HB ASN 32 17.333 0.809 0.261
209 2HB ASN 32 2HB ASN 32 18.440 1.989 -0.441
210 1HD2 ASN 32 1HD2 ASN 32 18.234 -0.687 1.678
211 2HD2 ASN 32 2HD2 ASN 32 19.827 -0.479 2.404
212 H TRP 33 H TRP 33 14.631 3.335 1.159
213 HA TRP 33 HA TRP 33 14.722 4.561 -1.541
214 1HB TRP 33 1HB TRP 33 12.956 2.288 -0.596
215 2HB TRP 33 2HB TRP 33 12.725 3.162 -2.121
216 HD1 TRP 33 HD1 TRP 33 14.796 3.046 -3.874
217 HE1 TRP 33 HE1 TRP 33 16.457 1.160 -4.441
218 HE3 TRP 33 HE3 TRP 33 14.094 0.129 0.242
219 HZ2 TRP 33 HZ2 TRP 33 17.431 -1.259 -3.163
220 HZ3 TRP 33 HZ3 TRP 33 15.453 -1.924 0.599
221 HH2 TRP 33 HH2 TRP 33 17.158 -2.592 -1.068
222 H ALA 34 H ALA 34 14.633 6.163 0.541
223 HA ALA 34 HA ALA 34 12.244 6.701 1.834
224 1HB ALA 34 3HB ALA 34 14.406 7.530 2.523
225 2HB ALA 34 1HB ALA 34 14.500 8.620 1.125
226 3HB ALA 34 2HB ALA 34 13.274 8.881 2.384
227 H THR 35 H THR 35 13.051 7.730 -1.425
228 HA THR 35 HA THR 35 10.997 9.702 -1.755
229 HB THR 35 HB THR 35 13.027 9.492 -3.141
230 HG1 THR 35 HG1 THR 35 12.021 10.148 -4.976
231 1HG2 THR 35 2HG2 THR 35 13.001 7.041 -3.568
232 2HG2 THR 35 1HG2 THR 35 11.544 7.258 -4.578
233 3HG2 THR 35 3HG2 THR 35 13.081 7.989 -5.057
234 H GLY 36 H GLY 36 10.842 6.261 -1.618
235 1HA GLY 36 2HA GLY 36 7.956 6.163 -1.919
236 2HA GLY 36 1HA GLY 36 9.045 4.807 -1.568
237 H GLY 37 H GLY 37 7.180 4.039 -3.036
238 1HA GLY 37 2HA GLY 37 7.090 4.634 -5.800
239 2HA GLY 37 1HA GLY 37 6.378 3.225 -5.050
240 H ASN 38 H ASN 38 9.344 2.473 -4.190
241 HA ASN 38 HA ASN 38 10.045 1.075 -6.702
242 1HB ASN 38 1HB ASN 38 11.120 3.347 -6.757
243 2HB ASN 38 2HB ASN 38 11.992 2.930 -5.263
244 1HD2 ASN 38 1HD2 ASN 38 14.024 3.270 -6.402
245 2HD2 ASN 38 2HD2 ASN 38 14.531 2.087 -7.591
246 H ALA 39 H ALA 39 11.853 -0.407 -6.409
247 HA ALA 39 HA ALA 39 12.740 -2.280 -5.615
248 1HB ALA 39 1HB ALA 39 13.896 -0.767 -4.056
249 2HB ALA 39 3HB ALA 39 13.710 -2.417 -3.427
250 3HB ALA 39 2HB ALA 39 12.664 -1.110 -2.823
251 H GLY 40 H GLY 40 12.437 -4.148 -3.837
252 1HA GLY 40 2HA GLY 40 11.033 -6.043 -4.146
253 2HA GLY 40 1HA GLY 40 9.604 -4.999 -4.215
254 H TRP 41 H TRP 41 9.236 -3.729 -2.109
255 HA TRP 41 HA TRP 41 10.335 -4.431 0.347
256 1HB TRP 41 1HB TRP 41 8.186 -3.362 1.274
257 2HB TRP 41 2HB TRP 41 9.303 -2.437 0.302
258 HD1 TRP 41 HD1 TRP 41 6.287 -4.613 -0.805
259 HE1 TRP 41 HE1 TRP 41 5.032 -3.340 -2.567
260 HE3 TRP 41 HE3 TRP 41 8.860 -0.185 -0.583
261 HZ2 TRP 41 HZ2 TRP 41 4.896 -0.665 -3.576
262 HZ3 TRP 41 HZ3 TRP 41 8.002 1.794 -1.846
263 HH2 TRP 41 HH2 TRP 41 6.012 1.576 -3.344
264 H ASN 42 H ASN 42 7.606 -6.065 -1.182
265 HA ASN 42 HA ASN 42 8.168 -8.415 0.412
266 1HB ASN 42 1HB ASN 42 5.851 -8.751 1.231
267 2HB ASN 42 2HB ASN 42 6.545 -7.269 1.894
268 1HD2 ASN 42 1HD2 ASN 42 5.376 -5.358 1.581
269 2HD2 ASN 42 2HD2 ASN 42 3.910 -5.276 0.612
270 H LYS 43 H LYS 43 8.454 -7.694 -2.146
271 HA LYS 43 HA LYS 43 6.401 -9.026 -3.865
272 1HB LYS 43 1HB LYS 43 8.850 -7.442 -4.744
273 2HB LYS 43 2HB LYS 43 7.559 -8.039 -5.772
274 1HG LYS 43 1HG LYS 43 5.961 -6.644 -4.247
275 2HG LYS 43 2HG LYS 43 7.420 -5.879 -3.635
276 1HD LYS 43 1HD LYS 43 6.581 -4.440 -5.349
277 2HD LYS 43 2HD LYS 43 8.001 -5.223 -6.025
278 1HE LYS 43 1HE LYS 43 6.531 -6.844 -7.203
279 2HE LYS 43 2HE LYS 43 5.111 -6.102 -6.504
280 1HZ LYS 43 1HZ LYS 43 5.742 -4.021 -7.691
281 2HZ LYS 43 3HZ LYS 43 7.018 -4.752 -8.362
282 3HZ LYS 43 2HZ LYS 43 5.522 -5.271 -8.720
No H/Q in entry = 282
Start of MODEL 4
1 H1 LYS 1 2H LYS 1 -20.528 5.046 0.371
2 H2 LYS 1 1H LYS 1 -20.655 3.553 -0.258
3 H3 LYS 1 3H LYS 1 -21.363 3.895 1.165
4 HA LYS 1 HA LYS 1 -19.229 4.208 2.214
5 1HB LYS 1 1HB LYS 1 -20.294 1.973 2.262
6 2HB LYS 1 2HB LYS 1 -19.453 1.525 0.789
7 1HG LYS 1 1HG LYS 1 -17.257 1.804 1.949
8 2HG LYS 1 2HG LYS 1 -18.066 2.300 3.421
9 1HD LYS 1 1HD LYS 1 -18.430 -0.430 2.112
10 2HD LYS 1 2HD LYS 1 -17.330 -0.083 3.430
11 1HE LYS 1 1HE LYS 1 -19.303 0.679 4.824
12 2HE LYS 1 2HE LYS 1 -20.375 0.193 3.510
13 1HZ LYS 1 3HZ LYS 1 -18.526 -1.614 4.957
14 2HZ LYS 1 2HZ LYS 1 -20.129 -1.508 5.200
15 3HZ LYS 1 1HZ LYS 1 -19.543 -2.067 3.775
16 H TYR 2 H TYR 2 -18.363 2.417 -0.773
17 HA TYR 2 HA TYR 2 -15.657 3.312 -0.680
18 1HB TYR 2 1HB TYR 2 -17.152 2.223 -3.091
19 2HB TYR 2 2HB TYR 2 -15.436 2.060 -2.749
20 HD1 TYR 2 HD1 TYR 2 -18.126 0.094 -3.089
21 HD2 TYR 2 HD2 TYR 2 -15.268 1.089 -0.005
22 HE1 TYR 2 HE1 TYR 2 -18.669 -1.983 -1.920
23 HE2 TYR 2 HE2 TYR 2 -15.800 -1.088 1.142
24 HH TYR 2 HH TYR 2 -18.266 -3.315 -0.139
25 H TYR 3 H TYR 3 -14.477 4.659 -1.925
26 HA TYR 3 HA TYR 3 -15.902 6.833 -3.422
27 1HB TYR 3 1HB TYR 3 -14.434 8.417 -2.233
28 2HB TYR 3 2HB TYR 3 -15.442 7.465 -1.170
29 HD1 TYR 3 HD1 TYR 3 -14.512 6.136 0.588
30 HD2 TYR 3 HD2 TYR 3 -11.935 7.812 -2.431
31 HE1 TYR 3 HE1 TYR 3 -12.552 5.444 1.904
32 HE2 TYR 3 HE2 TYR 3 -9.939 7.059 -1.146
33 HH TYR 3 HH TYR 3 -9.195 6.033 0.768
34 H GLY 4 H GLY 4 -13.205 4.724 -3.640
35 1HA GLY 4 2HA GLY 4 -11.118 5.041 -4.799
36 2HA GLY 4 1HA GLY 4 -11.750 6.430 -5.639
37 H ASN 5 H ASN 5 -14.301 4.694 -6.167
38 HA ASN 5 HA ASN 5 -15.067 2.815 -7.230
39 1HB ASN 5 1HB ASN 5 -13.428 4.412 -9.203
40 2HB ASN 5 2HB ASN 5 -14.487 3.086 -9.752
41 1HD2 ASN 5 1HD2 ASN 5 -14.386 6.435 -9.086
42 2HD2 ASN 5 2HD2 ASN 5 -16.121 6.669 -9.042
43 H GLY 6 H GLY 6 -13.148 2.037 -5.639
44 1HA GLY 6 2HA GLY 6 -10.990 0.517 -6.891
45 2HA GLY 6 1HA GLY 6 -12.298 -0.526 -6.332
46 H VAL 7 H VAL 7 -11.963 2.197 -4.256
47 HA VAL 7 HA VAL 7 -10.142 0.987 -2.302
48 HB VAL 7 HB VAL 7 -10.879 2.564 -0.714
49 1HG1 VAL 7 3HG1 VAL 7 -10.207 3.603 -3.360
50 2HG1 VAL 7 1HG1 VAL 7 -11.238 4.724 -2.470
51 3HG1 VAL 7 2HG1 VAL 7 -9.755 4.175 -1.732
52 1HG2 VAL 7 1HG2 VAL 7 -13.349 2.962 -2.369
53 2HG2 VAL 7 2HG2 VAL 7 -13.182 2.342 -0.707
54 3HG2 VAL 7 3HG2 VAL 7 -12.861 4.031 -1.021
55 H HIS 8 H HIS 8 -10.919 0.312 -0.199
56 HA HIS 8 HA HIS 8 -13.543 -1.052 -0.074
57 1HB HIS 8 1HB HIS 8 -12.212 -3.280 0.418
58 2HB HIS 8 2HB HIS 8 -12.360 -2.737 -1.257
59 HD1 HIS 8 HD1 HIS 8 -9.814 -2.138 1.551
60 HD2 HIS 8 HD2 HIS 8 -10.185 -2.277 -2.620
61 HE1 HIS 8 HE1 HIS 8 -7.596 -1.318 0.574
62 HE2 HIS 8 HE2 HIS 8 -7.805 -1.490 -1.942
63 H CYS 9 H CYS 9 -13.921 0.405 1.667
64 HA CYS 9 HA CYS 9 -12.340 0.568 4.035
65 1HB CYS 9 1HB CYS 9 -15.301 1.053 3.547
66 2HB CYS 9 2HB CYS 9 -14.460 1.438 5.044
67 H GLY 10 H GLY 10 -14.748 -1.916 3.161
68 1HA GLY 10 2HA GLY 10 -14.157 -3.673 5.337
69 2HA GLY 10 1HA GLY 10 -15.610 -3.698 4.323
70 H LYS 11 H LYS 11 -14.333 -2.774 7.364
71 HA LYS 11 HA LYS 11 -16.909 -1.636 8.369
72 1HB LYS 11 1HB LYS 11 -14.433 -2.612 9.824
73 2HB LYS 11 2HB LYS 11 -15.790 -1.784 10.607
74 1HG LYS 11 1HG LYS 11 -17.333 -3.544 9.750
75 2HG LYS 11 2HG LYS 11 -15.961 -4.432 9.063
76 1HD LYS 11 1HD LYS 11 -16.332 -3.871 12.031
77 2HD LYS 11 2HD LYS 11 -16.785 -5.351 11.181
78 1HE LYS 11 1HE LYS 11 -14.466 -5.709 10.458
79 2HE LYS 11 2HE LYS 11 -13.963 -4.248 11.302
80 1HZ LYS 11 1HZ LYS 11 -14.724 -5.279 13.386
81 2HZ LYS 11 3HZ LYS 11 -15.098 -6.666 12.635
82 3HZ LYS 11 2HZ LYS 11 -13.557 -6.182 12.678
83 H HIS 12 H HIS 12 -13.480 -0.815 8.896
84 HA HIS 12 HA HIS 12 -13.909 1.969 7.967
85 1HB HIS 12 1HB HIS 12 -13.044 2.964 9.983
86 2HB HIS 12 2HB HIS 12 -14.432 1.983 10.381
87 HD1 HIS 12 HD1 HIS 12 -10.623 2.107 10.879
88 HD2 HIS 12 HD2 HIS 12 -14.015 -0.123 12.019
89 HE1 HIS 12 HE1 HIS 12 -9.888 0.614 12.838
90 HE2 HIS 12 HE2 HIS 12 -11.966 -0.768 13.510
91 H SER 13 H SER 13 -12.104 -0.539 7.384
92 HA SER 13 HA SER 13 -9.322 0.347 7.613
93 1HB SER 13 1HB SER 13 -10.556 -2.040 6.210
94 2HB SER 13 2HB SER 13 -8.852 -1.831 6.583
95 HG SER 13 HG SER 13 -9.385 -1.883 8.788
96 H CYS 14 H CYS 14 -10.677 2.288 6.179
97 HA CYS 14 HA CYS 14 -10.885 1.934 3.374
98 1HB CYS 14 1HB CYS 14 -10.510 4.480 4.980
99 2HB CYS 14 2HB CYS 14 -11.025 4.380 3.303
100 H THR 15 H THR 15 -9.201 1.385 2.090
101 HA THR 15 HA THR 15 -7.399 3.498 1.459
102 HB THR 15 HB THR 15 -5.978 2.214 3.061
103 HG1 THR 15 HG1 THR 15 -4.233 2.395 1.860
104 1HG2 THR 15 1HG2 THR 15 -6.771 -0.101 2.490
105 2HG2 THR 15 3HG2 THR 15 -5.897 0.040 0.935
106 3HG2 THR 15 2HG2 THR 15 -5.025 0.077 2.467
107 H VAL 16 H VAL 16 -6.168 2.947 -0.562
108 HA VAL 16 HA VAL 16 -8.296 2.734 -2.422
109 HB VAL 16 HB VAL 16 -5.399 3.230 -3.158
110 1HG1 VAL 16 1HG1 VAL 16 -8.037 4.059 -4.368
111 2HG1 VAL 16 2HG1 VAL 16 -6.519 4.899 -4.728
112 3HG1 VAL 16 3HG1 VAL 16 -6.663 3.202 -5.150
113 1HG2 VAL 16 3HG2 VAL 16 -7.405 5.249 -2.048
114 2HG2 VAL 16 1HG2 VAL 16 -5.888 4.745 -1.259
115 3HG2 VAL 16 2HG2 VAL 16 -5.824 5.645 -2.746
116 H ASP 17 H ASP 17 -7.997 1.809 -4.645
117 HA ASP 17 HA ASP 17 -7.914 -0.977 -4.929
118 1HB ASP 17 1HB ASP 17 -8.835 0.610 -6.508
119 2HB ASP 17 2HB ASP 17 -7.209 1.214 -6.882
120 H TRP 18 H TRP 18 -5.176 1.090 -4.541
121 HA TRP 18 HA TRP 18 -3.107 -0.571 -5.706
122 1HB TRP 18 1HB TRP 18 -1.557 0.892 -4.631
123 2HB TRP 18 2HB TRP 18 -2.822 1.800 -5.398
124 HD1 TRP 18 HD1 TRP 18 -4.152 0.648 -2.123
125 HE1 TRP 18 HE1 TRP 18 -3.983 2.387 -0.388
126 HE3 TRP 18 HE3 TRP 18 -0.983 3.917 -4.542
127 HZ2 TRP 18 HZ2 TRP 18 -2.696 4.976 0.018
128 HZ3 TRP 18 HZ3 TRP 18 -0.351 6.043 -3.446
129 HH2 TRP 18 HH2 TRP 18 -1.174 6.589 -1.172
130 H GLY 19 H GLY 19 -4.952 -1.310 -3.099
131 1HA GLY 19 2HA GLY 19 -4.851 -3.163 -1.665
132 2HA GLY 19 1HA GLY 19 -3.744 -2.031 -0.872
133 H THR 20 H THR 20 -3.430 -4.272 -3.695
134 HA THR 20 HA THR 20 -1.539 -5.983 -2.222
135 HB THR 20 HB THR 20 -1.333 -7.206 -4.382
136 HG1 THR 20 HG1 THR 20 -2.924 -6.579 -5.993
137 1HG2 THR 20 3HG2 THR 20 -3.083 -7.732 -2.654
138 2HG2 THR 20 2HG2 THR 20 -4.241 -6.728 -3.576
139 3HG2 THR 20 1HG2 THR 20 -3.549 -8.184 -4.307
140 H ALA 21 H ALA 21 -1.178 -3.367 -4.554
141 HA ALA 21 HA ALA 21 1.594 -3.824 -5.149
142 1HB ALA 21 2HB ALA 21 1.600 -1.598 -6.039
143 2HB ALA 21 1HB ALA 21 0.030 -1.219 -5.272
144 3HB ALA 21 3HB ALA 21 0.138 -2.451 -6.539
145 H ILE 22 H ILE 22 -0.057 -1.573 -2.720
146 HA ILE 22 HA ILE 22 2.382 -0.851 -1.497
147 HB ILE 22 HB ILE 22 1.014 0.055 0.232
148 1HG1 ILE 22 1HG1 ILE 22 -1.512 -1.015 -1.086
149 2HG1 ILE 22 2HG1 ILE 22 -0.752 -1.800 0.306
150 1HG2 ILE 22 1HG2 ILE 22 1.297 1.183 -2.027
151 2HG2 ILE 22 2HG2 ILE 22 -0.319 0.642 -2.449
152 3HG2 ILE 22 3HG2 ILE 22 -0.088 1.748 -1.072
153 1HD1 ILE 22 3HD1 ILE 22 -1.807 1.055 0.326
154 2HD1 ILE 22 1HD1 ILE 22 -2.591 -0.380 1.025
155 3HD1 ILE 22 2HD1 ILE 22 -1.033 0.191 1.669
156 H GLY 23 H GLY 23 0.274 -3.669 -1.045
157 1HA GLY 23 2HA GLY 23 0.611 -5.629 0.078
158 2HA GLY 23 1HA GLY 23 1.409 -4.711 1.358
159 H ASN 24 H ASN 24 2.197 -5.439 -2.065
160 HA ASN 24 HA ASN 24 4.463 -7.079 -1.616
161 1HB ASN 24 1HB ASN 24 3.235 -6.959 -3.781
162 2HB ASN 24 2HB ASN 24 3.701 -5.278 -3.971
163 1HD2 ASN 24 1HD2 ASN 24 4.969 -8.626 -3.848
164 2HD2 ASN 24 2HD2 ASN 24 6.433 -8.240 -4.736
165 H ILE 25 H ILE 25 4.302 -3.555 -2.172
166 HA ILE 25 HA ILE 25 7.095 -3.002 -2.034
167 HB ILE 25 HB ILE 25 4.625 -1.308 -1.541
168 1HG1 ILE 25 1HG1 ILE 25 6.707 -1.316 -3.802
169 2HG1 ILE 25 2HG1 ILE 25 5.205 -2.199 -3.895
170 1HG2 ILE 25 1HG2 ILE 25 7.550 -0.447 -1.563
171 2HG2 ILE 25 2HG2 ILE 25 6.185 0.674 -1.673
172 3HG2 ILE 25 3HG2 ILE 25 6.415 -0.285 -0.207
173 1HD1 ILE 25 3HD1 ILE 25 3.926 -0.095 -3.669
174 2HD1 ILE 25 1HD1 ILE 25 5.467 0.832 -3.784
175 3HD1 ILE 25 2HD1 ILE 25 4.932 -0.196 -5.115
176 H GLY 26 H GLY 26 4.617 -2.803 0.612
177 1HA GLY 26 2HA GLY 26 4.764 -2.885 2.864
178 2HA GLY 26 1HA GLY 26 6.333 -2.076 2.719
179 H ASN 27 H ASN 27 5.353 -5.306 1.630
180 HA ASN 27 HA ASN 27 6.747 -6.895 3.568
181 1HB ASN 27 1HB ASN 27 5.060 -7.843 2.111
182 2HB ASN 27 2HB ASN 27 5.986 -7.442 0.682
183 1HD2 ASN 27 1HD2 ASN 27 7.594 -8.893 -0.043
184 2HD2 ASN 27 2HD2 ASN 27 8.005 -10.357 0.838
185 H ASN 28 H ASN 28 7.857 -5.654 0.379
186 HA ASN 28 HA ASN 28 10.557 -6.682 0.734
187 1HB ASN 28 1HB ASN 28 9.198 -4.868 -1.288
188 2HB ASN 28 2HB ASN 28 10.947 -5.108 -1.316
189 1HD2 ASN 28 1HD2 ASN 28 7.857 -6.700 -2.005
190 2HD2 ASN 28 2HD2 ASN 28 8.630 -8.109 -2.724
191 H ALA 29 H ALA 29 9.143 -3.537 1.543
192 HA ALA 29 HA ALA 29 11.581 -2.241 2.375
193 1HB ALA 29 1HB ALA 29 10.116 -0.913 3.803
194 2HB ALA 29 3HB ALA 29 8.779 -2.027 3.522
195 3HB ALA 29 2HB ALA 29 9.447 -1.059 2.174
196 H ALA 30 H ALA 30 9.368 -4.415 4.222
197 HA ALA 30 HA ALA 30 11.037 -4.576 6.531
198 1HB ALA 30 1HB ALA 30 8.960 -6.552 5.470
199 2HB ALA 30 3HB ALA 30 8.642 -5.115 6.471
200 3HB ALA 30 2HB ALA 30 9.586 -6.460 7.119
201 H ALA 31 H ALA 31 11.055 -6.468 3.547
202 HA ALA 31 HA ALA 31 12.977 -8.428 4.511
203 1HB ALA 31 1HB ALA 31 11.242 -8.872 2.738
204 2HB ALA 31 2HB ALA 31 12.214 -7.869 1.636
205 3HB ALA 31 3HB ALA 31 12.888 -9.356 2.328
206 H ASN 32 H ASN 32 13.398 -5.381 2.742
207 HA ASN 32 HA ASN 32 16.307 -6.029 2.359
208 1HB ASN 32 1HB ASN 32 14.549 -4.306 0.613
209 2HB ASN 32 2HB ASN 32 16.236 -4.737 0.350
210 1HD2 ASN 32 1HD2 ASN 32 12.996 -5.699 -0.043
211 2HD2 ASN 32 2HD2 ASN 32 13.310 -7.198 -0.930
212 H TRP 33 H TRP 33 14.188 -3.540 3.604
213 HA TRP 33 HA TRP 33 16.507 -1.660 3.812
214 1HB TRP 33 1HB TRP 33 13.667 -1.094 2.957
215 2HB TRP 33 2HB TRP 33 14.865 0.141 3.319
216 HD1 TRP 33 HD1 TRP 33 17.290 -0.268 1.973
217 HE1 TRP 33 HE1 TRP 33 17.666 -0.597 -0.561
218 HE3 TRP 33 HE3 TRP 33 12.637 -1.883 0.720
219 HZ2 TRP 33 HZ2 TRP 33 16.093 -1.474 -2.832
220 HZ3 TRP 33 HZ3 TRP 33 12.070 -2.472 -1.624
221 HH2 TRP 33 HH2 TRP 33 13.825 -2.270 -3.428
222 H ALA 34 H ALA 34 13.703 -2.858 5.607
223 HA ALA 34 HA ALA 34 13.873 -1.098 7.833
224 1HB ALA 34 2HB ALA 34 11.999 -2.585 7.371
225 2HB ALA 34 3HB ALA 34 13.022 -4.022 7.671
226 3HB ALA 34 1HB ALA 34 12.669 -2.861 8.991
227 H THR 35 H THR 35 16.200 -3.281 6.765
228 HA THR 35 HA THR 35 17.582 -3.950 9.204
229 HB THR 35 HB THR 35 19.538 -4.268 7.665
230 HG1 THR 35 HG1 THR 35 19.155 -3.908 5.465
231 1HG2 THR 35 2HG2 THR 35 17.841 -6.078 7.957
232 2HG2 THR 35 1HG2 THR 35 16.912 -5.427 6.574
233 3HG2 THR 35 3HG2 THR 35 18.516 -6.091 6.314
234 H GLY 36 H GLY 36 17.215 -0.961 7.536
235 1HA GLY 36 2HA GLY 36 19.645 0.250 8.839
236 2HA GLY 36 1HA GLY 36 18.054 1.021 8.898
237 H GLY 37 H GLY 37 18.254 -0.354 5.896
238 1HA GLY 37 2HA GLY 37 18.918 0.385 3.763
239 2HA GLY 37 1HA GLY 37 19.769 1.729 4.468
240 H ASN 38 H ASN 38 18.397 2.317 2.287
241 HA ASN 38 HA ASN 38 15.850 3.672 3.086
242 1HB ASN 38 1HB ASN 38 18.158 4.833 1.479
243 2HB ASN 38 2HB ASN 38 16.606 5.585 1.688
244 1HD2 ASN 38 1HD2 ASN 38 19.716 5.412 2.980
245 2HD2 ASN 38 2HD2 ASN 38 19.337 6.171 4.534
246 H ALA 39 H ALA 39 14.256 2.756 1.943
247 HA ALA 39 HA ALA 39 14.604 1.249 -0.442
248 1HB ALA 39 2HB ALA 39 12.133 1.174 -0.431
249 2HB ALA 39 3HB ALA 39 12.780 0.903 1.201
250 3HB ALA 39 1HB ALA 39 12.077 2.472 0.769
251 H GLY 40 H GLY 40 13.730 1.573 -2.520
252 1HA GLY 40 2HA GLY 40 13.731 2.786 -4.537
253 2HA GLY 40 1HA GLY 40 13.874 4.294 -3.680
254 H TRP 41 H TRP 41 11.490 3.230 -1.932
255 HA TRP 41 HA TRP 41 9.243 3.704 -3.833
256 1HB TRP 41 1HB TRP 41 9.925 1.393 -2.039
257 2HB TRP 41 2HB TRP 41 8.250 1.727 -2.166
258 HD1 TRP 41 HD1 TRP 41 8.629 2.501 -5.412
259 HE1 TRP 41 HE1 TRP 41 8.426 0.516 -7.027
260 HE3 TRP 41 HE3 TRP 41 9.860 -1.193 -2.155
261 HZ2 TRP 41 HZ2 TRP 41 8.848 -2.375 -6.909
262 HZ3 TRP 41 HZ3 TRP 41 10.006 -3.572 -2.942
263 HH2 TRP 41 HH2 TRP 41 9.505 -4.141 -5.302
264 H ASN 42 H ASN 42 7.155 4.692 -1.031
265 HA ASN 42 HA ASN 42 6.696 2.798 -3.097
266 1HB ASN 42 1HB ASN 42 5.008 5.196 -2.300
267 2HB ASN 42 2HB ASN 42 4.468 3.826 -3.284
268 1HD2 ASN 42 1HD2 ASN 42 3.672 2.020 -2.268
269 2HD2 ASN 42 2HD2 ASN 42 3.700 1.825 -0.516
270 H LYS 43 H LYS 43 5.670 3.121 -5.185
271 HA LYS 43 HA LYS 43 7.320 4.664 -7.011
272 1HB LYS 43 1HB LYS 43 5.908 3.611 -8.730
273 2HB LYS 43 2HB LYS 43 6.647 2.459 -7.606
274 1HG LYS 43 1HG LYS 43 4.521 2.082 -6.488
275 2HG LYS 43 2HG LYS 43 3.751 3.379 -7.399
276 1HD LYS 43 1HD LYS 43 4.114 2.084 -9.520
277 2HD LYS 43 2HD LYS 43 4.942 0.824 -8.599
278 1HE LYS 43 1HE LYS 43 2.905 0.428 -7.263
279 2HE LYS 43 2HE LYS 43 2.055 1.709 -8.147
280 1HZ LYS 43 1HZ LYS 43 2.395 0.391 -10.200
281 2HZ LYS 43 3HZ LYS 43 3.090 -0.785 -9.316
282 3HZ LYS 43 2HZ LYS 43 1.497 -0.411 -9.087
No H/Q in entry = 282
Start of MODEL 5
1 H1 LYS 1 1H LYS 1 -10.923 7.790 -3.768
2 H2 LYS 1 3H LYS 1 -12.238 8.454 -4.498
3 H3 LYS 1 2H LYS 1 -11.607 9.126 -3.149
4 HA LYS 1 HA LYS 1 -12.149 7.316 -1.777
5 1HB LYS 1 1HB LYS 1 -13.807 9.142 -2.046
6 2HB LYS 1 2HB LYS 1 -14.578 8.252 -3.349
7 1HG LYS 1 1HG LYS 1 -15.858 7.983 -1.328
8 2HG LYS 1 2HG LYS 1 -15.176 6.421 -1.747
9 1HD LYS 1 1HD LYS 1 -13.534 6.561 0.024
10 2HD LYS 1 2HD LYS 1 -13.899 8.291 0.306
11 1HE LYS 1 1HE LYS 1 -16.325 7.492 0.778
12 2HE LYS 1 2HE LYS 1 -15.632 5.867 0.893
13 1HZ LYS 1 1HZ LYS 1 -14.036 6.925 2.553
14 2HZ LYS 1 3HZ LYS 1 -14.985 8.225 2.543
15 3HZ LYS 1 2HZ LYS 1 -15.603 6.786 3.055
16 H TYR 2 H TYR 2 -14.330 6.544 -4.500
17 HA TYR 2 HA TYR 2 -14.088 3.705 -3.876
18 1HB TYR 2 1HB TYR 2 -15.654 5.022 -6.101
19 2HB TYR 2 2HB TYR 2 -15.961 3.472 -5.347
20 HD1 TYR 2 HD1 TYR 2 -16.654 3.419 -2.850
21 HD2 TYR 2 HD2 TYR 2 -16.789 6.952 -5.316
22 HE1 TYR 2 HE1 TYR 2 -18.219 4.496 -1.227
23 HE2 TYR 2 HE2 TYR 2 -18.408 7.997 -3.713
24 HH TYR 2 HH TYR 2 -19.605 7.738 -1.815
25 H TYR 3 H TYR 3 -11.575 4.493 -4.793
26 HA TYR 3 HA TYR 3 -11.246 4.511 -7.614
27 1HB TYR 3 1HB TYR 3 -8.949 4.667 -7.259
28 2HB TYR 3 2HB TYR 3 -9.671 5.460 -5.882
29 HD1 TYR 3 HD1 TYR 3 -7.589 2.684 -7.032
30 HD2 TYR 3 HD2 TYR 3 -9.682 4.299 -3.659
31 HE1 TYR 3 HE1 TYR 3 -6.301 1.166 -5.529
32 HE2 TYR 3 HE2 TYR 3 -8.367 2.827 -2.131
33 HH TYR 3 HH TYR 3 -5.852 0.579 -3.372
34 H GLY 4 H GLY 4 -10.689 1.859 -5.366
35 1HA GLY 4 2HA GLY 4 -10.548 -0.443 -5.602
36 2HA GLY 4 1HA GLY 4 -10.213 -0.251 -7.316
37 H ASN 5 H ASN 5 -12.632 1.212 -7.904
38 HA ASN 5 HA ASN 5 -14.731 1.061 -8.579
39 1HB ASN 5 1HB ASN 5 -13.965 -0.987 -9.645
40 2HB ASN 5 2HB ASN 5 -14.404 -1.937 -8.238
41 1HD2 ASN 5 1HD2 ASN 5 -16.302 -3.056 -8.545
42 2HD2 ASN 5 2HD2 ASN 5 -17.633 -2.421 -9.505
43 H GLY 6 H GLY 6 -14.467 -1.141 -5.781
44 1HA GLY 6 2HA GLY 6 -16.490 -1.672 -4.465
45 2HA GLY 6 1HA GLY 6 -17.031 -0.023 -4.640
46 H VAL 7 H VAL 7 -13.767 0.170 -4.044
47 HA VAL 7 HA VAL 7 -13.655 -0.497 -1.252
48 HB VAL 7 HB VAL 7 -11.412 0.425 -1.252
49 1HG1 VAL 7 3HG1 VAL 7 -11.748 -1.797 -2.177
50 2HG1 VAL 7 1HG1 VAL 7 -12.018 -1.119 -3.794
51 3HG1 VAL 7 2HG1 VAL 7 -10.426 -0.944 -3.011
52 1HG2 VAL 7 3HG2 VAL 7 -12.129 1.565 -3.978
53 2HG2 VAL 7 1HG2 VAL 7 -11.578 2.447 -2.538
54 3HG2 VAL 7 2HG2 VAL 7 -10.459 1.364 -3.369
55 H HIS 8 H HIS 8 -12.680 1.043 0.342
56 HA HIS 8 HA HIS 8 -14.216 3.571 0.541
57 1HB HIS 8 1HB HIS 8 -15.157 2.517 2.773
58 2HB HIS 8 2HB HIS 8 -15.950 2.181 1.250
59 HD1 HIS 8 HD1 HIS 8 -13.102 0.490 3.238
60 HD2 HIS 8 HD2 HIS 8 -16.125 -0.286 0.450
61 HE1 HIS 8 HE1 HIS 8 -12.894 -1.978 2.640
62 HE2 HIS 8 HE2 HIS 8 -14.840 -2.494 1.026
63 H CYS 9 H CYS 9 -12.346 4.725 0.839
64 HA CYS 9 HA CYS 9 -10.936 4.355 3.445
65 1HB CYS 9 1HB CYS 9 -9.851 4.596 0.668
66 2HB CYS 9 2HB CYS 9 -8.925 5.282 1.995
67 H GLY 10 H GLY 10 -9.454 6.213 3.923
68 1HA GLY 10 2HA GLY 10 -10.926 8.334 4.930
69 2HA GLY 10 1HA GLY 10 -10.288 8.923 3.396
70 H LYS 11 H LYS 11 -9.292 10.376 5.226
71 HA LYS 11 HA LYS 11 -6.520 9.929 5.076
72 1HB LYS 11 1HB LYS 11 -6.244 12.061 6.189
73 2HB LYS 11 2HB LYS 11 -7.569 12.124 5.034
74 1HG LYS 11 1HG LYS 11 -9.223 11.931 6.882
75 2HG LYS 11 2HG LYS 11 -7.902 11.761 8.042
76 1HD LYS 11 1HD LYS 11 -8.681 13.996 8.184
77 2HD LYS 11 2HD LYS 11 -7.081 14.053 7.432
78 1HE LYS 11 1HE LYS 11 -8.132 14.225 5.207
79 2HE LYS 11 2HE LYS 11 -9.727 14.213 5.933
80 1HZ LYS 11 2HZ LYS 11 -9.087 16.267 7.138
81 2HZ LYS 11 1HZ LYS 11 -7.638 16.296 6.391
82 3HZ LYS 11 3HZ LYS 11 -9.002 16.507 5.532
83 H HIS 12 H HIS 12 -8.523 8.784 7.572
84 HA HIS 12 HA HIS 12 -6.330 8.606 9.556
85 1HB HIS 12 1HB HIS 12 -9.268 7.848 9.722
86 2HB HIS 12 2HB HIS 12 -8.106 7.802 11.074
87 HD1 HIS 12 HD1 HIS 12 -6.952 10.368 11.624
88 HD2 HIS 12 HD2 HIS 12 -10.592 10.052 9.483
89 HE1 HIS 12 HE1 HIS 12 -8.057 12.679 11.723
90 HE2 HIS 12 HE2 HIS 12 -10.278 12.492 10.453
91 H SER 13 H SER 13 -8.740 6.085 9.079
92 HA SER 13 HA SER 13 -6.686 4.008 8.512
93 1HB SER 13 1HB SER 13 -8.511 4.030 10.969
94 2HB SER 13 2HB SER 13 -7.448 2.705 10.460
95 HG SER 13 HG SER 13 -6.452 3.993 12.049
96 H CYS 14 H CYS 14 -7.457 2.694 7.077
97 HA CYS 14 HA CYS 14 -10.325 1.984 6.909
98 1HB CYS 14 1HB CYS 14 -10.435 2.485 4.559
99 2HB CYS 14 2HB CYS 14 -9.997 3.924 5.461
100 H THR 15 H THR 15 -10.471 0.501 4.744
101 HA THR 15 HA THR 15 -8.291 -1.404 4.472
102 HB THR 15 HB THR 15 -9.479 -2.388 6.341
103 HG1 THR 15 HG1 THR 15 -9.824 -4.372 5.370
104 1HG2 THR 15 3HG2 THR 15 -11.785 -1.496 5.891
105 2HG2 THR 15 2HG2 THR 15 -11.915 -2.615 4.513
106 3HG2 THR 15 1HG2 THR 15 -11.749 -3.246 6.163
107 H VAL 16 H VAL 16 -8.601 -2.800 2.531
108 HA VAL 16 HA VAL 16 -10.174 -1.465 0.453
109 HB VAL 16 HB VAL 16 -7.347 -1.273 -0.282
110 1HG1 VAL 16 2HG1 VAL 16 -9.561 0.789 0.133
111 2HG1 VAL 16 3HG1 VAL 16 -7.992 1.126 -0.606
112 3HG1 VAL 16 1HG1 VAL 16 -9.084 -0.013 -1.403
113 1HG2 VAL 16 2HG2 VAL 16 -6.828 -0.959 2.097
114 2HG2 VAL 16 3HG2 VAL 16 -6.551 0.490 1.100
115 3HG2 VAL 16 1HG2 VAL 16 -7.960 0.408 2.167
116 H ASP 17 H ASP 17 -9.794 -2.300 -1.704
117 HA ASP 17 HA ASP 17 -9.199 -5.199 -1.743
118 1HB ASP 17 1HB ASP 17 -11.223 -4.235 -2.773
119 2HB ASP 17 2HB ASP 17 -10.207 -3.355 -3.934
120 H TRP 18 H TRP 18 -6.917 -4.429 -1.116
121 HA TRP 18 HA TRP 18 -5.180 -3.963 -3.512
122 1HB TRP 18 1HB TRP 18 -3.975 -2.355 -2.383
123 2HB TRP 18 2HB TRP 18 -5.670 -1.943 -2.221
124 HD1 TRP 18 HD1 TRP 18 -5.374 -4.430 0.368
125 HE1 TRP 18 HE1 TRP 18 -4.805 -3.509 2.587
126 HE3 TRP 18 HE3 TRP 18 -3.850 0.209 -1.127
127 HZ2 TRP 18 HZ2 TRP 18 -3.686 -1.024 3.689
128 HZ3 TRP 18 HZ3 TRP 18 -3.067 1.877 0.557
129 HH2 TRP 18 HH2 TRP 18 -2.957 1.248 2.951
130 H GLY 19 H GLY 19 -5.720 -6.393 -1.470
131 1HA GLY 19 2HA GLY 19 -4.477 -8.131 -0.548
132 2HA GLY 19 1HA GLY 19 -3.488 -6.817 0.098
133 H THR 20 H THR 20 -3.687 -7.588 -3.357
134 HA THR 20 HA THR 20 -1.183 -9.066 -3.473
135 HB THR 20 HB THR 20 -1.488 -8.758 -5.943
136 HG1 THR 20 HG1 THR 20 -3.241 -7.750 -6.640
137 1HG2 THR 20 1HG2 THR 20 -2.393 -10.731 -4.733
138 2HG2 THR 20 3HG2 THR 20 -3.924 -9.843 -4.473
139 3HG2 THR 20 2HG2 THR 20 -3.411 -10.252 -6.120
140 H ALA 21 H ALA 21 -2.046 -5.681 -3.862
141 HA ALA 21 HA ALA 21 0.555 -4.820 -4.869
142 1HB ALA 21 3HB ALA 21 -1.534 -3.165 -3.370
143 2HB ALA 21 2HB ALA 21 -1.571 -3.522 -5.128
144 3HB ALA 21 1HB ALA 21 -0.213 -2.611 -4.404
145 H ILE 22 H ILE 22 -0.969 -5.156 -1.667
146 HA ILE 22 HA ILE 22 1.293 -4.210 -0.133
147 HB ILE 22 HB ILE 22 -0.931 -6.057 0.771
148 1HG1 ILE 22 1HG1 ILE 22 -1.959 -4.063 -0.057
149 2HG1 ILE 22 2HG1 ILE 22 -1.996 -4.038 1.696
150 1HG2 ILE 22 2HG2 ILE 22 1.046 -4.370 2.365
151 2HG2 ILE 22 3HG2 ILE 22 -0.391 -5.158 3.040
152 3HG2 ILE 22 1HG2 ILE 22 0.912 -6.143 2.351
153 1HD1 ILE 22 3HD1 ILE 22 -0.085 -2.422 -0.056
154 2HD1 ILE 22 1HD1 ILE 22 -1.520 -1.824 0.766
155 3HD1 ILE 22 2HD1 ILE 22 -0.151 -2.367 1.730
156 H GLY 23 H GLY 23 0.352 -7.481 -1.244
157 1HA GLY 23 2HA GLY 23 1.649 -9.350 -1.620
158 2HA GLY 23 1HA GLY 23 2.541 -8.957 -0.141
159 H ASN 24 H ASN 24 2.233 -7.294 -3.330
160 HA ASN 24 HA ASN 24 4.860 -7.751 -4.222
161 1HB ASN 24 1HB ASN 24 3.043 -7.023 -5.686
162 2HB ASN 24 2HB ASN 24 2.926 -5.496 -4.867
163 1HD2 ASN 24 1HD2 ASN 24 4.185 -3.789 -5.664
164 2HD2 ASN 24 2HD2 ASN 24 5.464 -4.037 -6.839
165 H ILE 25 H ILE 25 3.645 -4.993 -2.267
166 HA ILE 25 HA ILE 25 6.057 -3.562 -1.985
167 HB ILE 25 HB ILE 25 3.547 -3.765 -0.352
168 1HG1 ILE 25 1HG1 ILE 25 4.973 -1.264 -1.352
169 2HG1 ILE 25 2HG1 ILE 25 4.087 -2.278 -2.479
170 1HG2 ILE 25 3HG2 ILE 25 6.047 -2.348 0.657
171 2HG2 ILE 25 1HG2 ILE 25 4.396 -2.052 1.262
172 3HG2 ILE 25 2HG2 ILE 25 5.128 -3.631 1.470
173 1HD1 ILE 25 1HD1 ILE 25 2.029 -2.041 -1.196
174 2HD1 ILE 25 2HD1 ILE 25 2.860 -0.985 -0.031
175 3HD1 ILE 25 3HD1 ILE 25 2.646 -0.477 -1.729
176 H GLY 26 H GLY 26 4.845 -6.233 0.108
177 1HA GLY 26 2HA GLY 26 5.916 -7.640 1.569
178 2HA GLY 26 1HA GLY 26 6.994 -6.301 1.953
179 H ASN 27 H ASN 27 6.485 -8.257 -0.987
180 HA ASN 27 HA ASN 27 8.985 -9.697 -0.790
181 1HB ASN 27 1HB ASN 27 6.955 -9.307 -3.042
182 2HB ASN 27 2HB ASN 27 8.419 -10.239 -3.263
183 1HD2 ASN 27 1HD2 ASN 27 5.344 -10.197 -1.546
184 2HD2 ASN 27 2HD2 ASN 27 5.436 -11.888 -1.038
185 H ASN 28 H ASN 28 8.113 -6.801 -2.723
186 HA ASN 28 HA ASN 28 10.765 -6.703 -3.923
187 1HB ASN 28 1HB ASN 28 8.599 -5.931 -4.971
188 2HB ASN 28 2HB ASN 28 8.583 -4.556 -3.855
189 1HD2 ASN 28 1HD2 ASN 28 10.712 -6.197 -6.296
190 2HD2 ASN 28 2HD2 ASN 28 11.333 -4.682 -6.948
191 H ALA 29 H ALA 29 9.383 -5.135 -1.075
192 HA ALA 29 HA ALA 29 11.699 -3.521 -0.442
193 1HB ALA 29 2HB ALA 29 9.527 -3.293 0.732
194 2HB ALA 29 1HB ALA 29 10.845 -3.598 1.839
195 3HB ALA 29 3HB ALA 29 9.723 -4.912 1.423
196 H ALA 30 H ALA 30 10.952 -6.978 0.283
197 HA ALA 30 HA ALA 30 13.465 -7.492 1.583
198 1HB ALA 30 2HB ALA 30 11.634 -9.392 0.107
199 2HB ALA 30 3HB ALA 30 12.874 -9.866 1.275
200 3HB ALA 30 1HB ALA 30 11.459 -8.912 1.813
201 H ALA 31 H ALA 31 12.587 -7.377 -1.842
202 HA ALA 31 HA ALA 31 15.021 -8.585 -2.780
203 1HB ALA 31 2HB ALA 31 12.907 -8.620 -4.037
204 2HB ALA 31 3HB ALA 31 13.005 -6.855 -4.276
205 3HB ALA 31 1HB ALA 31 14.225 -7.940 -4.984
206 H ASN 32 H ASN 32 14.131 -5.217 -2.230
207 HA ASN 32 HA ASN 32 16.809 -4.298 -3.226
208 1HB ASN 32 1HB ASN 32 14.024 -3.174 -3.681
209 2HB ASN 32 2HB ASN 32 15.492 -2.278 -4.052
210 1HD2 ASN 32 1HD2 ASN 32 13.250 -4.621 -5.240
211 2HD2 ASN 32 2HD2 ASN 32 14.187 -5.007 -6.674
212 H TRP 33 H TRP 33 14.786 -4.076 -0.448
213 HA TRP 33 HA TRP 33 16.360 -1.758 0.617
214 1HB TRP 33 1HB TRP 33 13.375 -2.181 0.587
215 2HB TRP 33 2HB TRP 33 14.168 -1.122 1.740
216 HD1 TRP 33 HD1 TRP 33 15.434 1.006 0.843
217 HE1 TRP 33 HE1 TRP 33 14.998 2.526 -1.207
218 HE3 TRP 33 HE3 TRP 33 12.499 -2.168 -1.948
219 HZ2 TRP 33 HZ2 TRP 33 13.635 2.324 -3.742
220 HZ3 TRP 33 HZ3 TRP 33 11.711 -1.479 -4.149
221 HH2 TRP 33 HH2 TRP 33 12.238 0.774 -5.063
222 H ALA 34 H ALA 34 16.117 -4.942 1.121
223 HA ALA 34 HA ALA 34 15.134 -5.423 3.640
224 1HB ALA 34 2HB ALA 34 17.535 -6.719 2.267
225 2HB ALA 34 3HB ALA 34 16.545 -7.450 3.547
226 3HB ALA 34 1HB ALA 34 15.846 -7.113 1.954
227 H THR 35 H THR 35 18.238 -3.840 3.045
228 HA THR 35 HA THR 35 19.333 -4.195 5.687
229 HB THR 35 HB THR 35 20.829 -2.288 4.984
230 HG1 THR 35 HG1 THR 35 20.756 -1.751 2.784
231 1HG2 THR 35 1HG2 THR 35 21.442 -4.660 4.656
232 2HG2 THR 35 3HG2 THR 35 20.709 -4.616 3.023
233 3HG2 THR 35 2HG2 THR 35 22.110 -3.589 3.405
234 H GLY 36 H GLY 36 16.816 -2.211 4.535
235 1HA GLY 36 2HA GLY 36 16.859 0.216 5.704
236 2HA GLY 36 1HA GLY 36 16.422 -0.796 7.086
237 H GLY 37 H GLY 37 14.826 -2.664 6.177
238 1HA GLY 37 2HA GLY 37 12.940 -3.453 5.127
239 2HA GLY 37 1HA GLY 37 13.124 -2.164 3.975
240 H ASN 38 H ASN 38 12.736 -0.141 6.204
241 HA ASN 38 HA ASN 38 9.974 -0.501 7.203
242 1HB ASN 38 1HB ASN 38 11.925 1.824 7.431
243 2HB ASN 38 2HB ASN 38 10.354 1.719 8.232
244 1HD2 ASN 38 1HD2 ASN 38 13.538 1.364 8.863
245 2HD2 ASN 38 2HD2 ASN 38 13.429 0.168 10.139
246 H ALA 39 H ALA 39 9.607 -0.738 4.660
247 HA ALA 39 HA ALA 39 8.603 -0.162 2.771
248 1HB ALA 39 1HB ALA 39 7.258 1.921 4.492
249 2HB ALA 39 3HB ALA 39 6.769 0.223 4.288
250 3HB ALA 39 2HB ALA 39 6.680 1.340 2.911
251 H GLY 40 H GLY 40 9.296 3.115 4.065
252 1HA GLY 40 2HA GLY 40 10.972 3.838 1.777
253 2HA GLY 40 1HA GLY 40 10.510 4.870 3.140
254 H TRP 41 H TRP 41 8.650 3.266 0.549
255 HA TRP 41 HA TRP 41 7.852 5.668 -0.801
256 1HB TRP 41 1HB TRP 41 6.468 3.997 -2.157
257 2HB TRP 41 2HB TRP 41 8.219 3.817 -2.135
258 HD1 TRP 41 HD1 TRP 41 6.126 2.435 0.735
259 HE1 TRP 41 HE1 TRP 41 6.465 -0.057 0.844
260 HE3 TRP 41 HE3 TRP 41 8.646 1.816 -3.680
261 HZ2 TRP 41 HZ2 TRP 41 7.841 -2.104 -0.725
262 HZ3 TRP 41 HZ3 TRP 41 9.422 -0.432 -4.372
263 HH2 TRP 41 HH2 TRP 41 9.039 -2.404 -2.878
264 H ASN 42 H ASN 42 5.041 3.844 -0.796
265 HA ASN 42 HA ASN 42 3.511 5.787 0.799
266 1HB ASN 42 1HB ASN 42 1.581 4.642 0.026
267 2HB ASN 42 2HB ASN 42 2.660 4.894 -1.349
268 1HD2 ASN 42 1HD2 ASN 42 1.124 2.483 0.710
269 2HD2 ASN 42 2HD2 ASN 42 1.641 1.110 -0.265
270 H LYS 43 H LYS 43 2.902 5.587 2.861
271 HA LYS 43 HA LYS 43 2.952 3.127 4.447
272 1HB LYS 43 1HB LYS 43 4.744 4.082 5.946
273 2HB LYS 43 2HB LYS 43 5.289 3.498 4.400
274 1HG LYS 43 1HG LYS 43 5.272 5.844 3.500
275 2HG LYS 43 2HG LYS 43 4.792 6.437 5.068
276 1HD LYS 43 1HD LYS 43 6.971 5.406 5.978
277 2HD LYS 43 2HD LYS 43 7.417 5.045 4.301
278 1HE LYS 43 1HE LYS 43 6.753 7.805 5.420
279 2HE LYS 43 2HE LYS 43 8.373 7.181 5.188
280 1HZ LYS 43 1HZ LYS 43 6.450 7.592 2.975
281 2HZ LYS 43 3HZ LYS 43 7.665 8.611 3.349
282 3HZ LYS 43 2HZ LYS 43 7.989 7.116 2.795
No H/Q in entry = 282
Start of MODEL 6
1 H1 LYS 1 1H LYS 1 -19.591 1.612 -3.857
2 H2 LYS 1 3H LYS 1 -19.688 1.699 -2.221
3 H3 LYS 1 2H LYS 1 -19.769 3.052 -3.095
4 HA LYS 1 HA LYS 1 -17.553 2.840 -3.880
5 1HB LYS 1 1HB LYS 1 -17.875 4.202 -1.895
6 2HB LYS 1 2HB LYS 1 -17.774 2.761 -0.845
7 1HG LYS 1 1HG LYS 1 -15.510 2.389 -1.378
8 2HG LYS 1 2HG LYS 1 -15.523 3.582 -2.704
9 1HD LYS 1 1HD LYS 1 -15.651 4.170 0.265
10 2HD LYS 1 2HD LYS 1 -14.184 4.227 -0.719
11 1HE LYS 1 1HE LYS 1 -15.151 6.006 -2.137
12 2HE LYS 1 2HE LYS 1 -16.648 5.967 -1.194
13 1HZ LYS 1 3HZ LYS 1 -15.326 6.627 0.769
14 2HZ LYS 1 2HZ LYS 1 -13.968 6.685 -0.118
15 3HZ LYS 1 1HZ LYS 1 -15.184 7.741 -0.400
16 H TYR 2 H TYR 2 -17.958 0.277 -1.312
17 HA TYR 2 HA TYR 2 -15.513 -0.996 -1.925
18 1HB TYR 2 1HB TYR 2 -18.044 -2.285 -0.803
19 2HB TYR 2 2HB TYR 2 -16.418 -2.885 -0.629
20 HD1 TYR 2 HD1 TYR 2 -18.459 -2.451 1.557
21 HD2 TYR 2 HD2 TYR 2 -15.261 0.014 0.075
22 HE1 TYR 2 HE1 TYR 2 -18.164 -1.476 3.822
23 HE2 TYR 2 HE2 TYR 2 -14.976 1.007 2.341
24 HH TYR 2 HH TYR 2 -16.994 0.002 5.140
25 H TYR 3 H TYR 3 -15.033 -2.990 -2.861
26 HA TYR 3 HA TYR 3 -17.076 -4.408 -4.470
27 1HB TYR 3 1HB TYR 3 -16.137 -4.322 -6.446
28 2HB TYR 3 2HB TYR 3 -15.310 -2.897 -5.856
29 HD1 TYR 3 HD1 TYR 3 -12.931 -2.974 -5.313
30 HD2 TYR 3 HD2 TYR 3 -14.937 -6.503 -6.738
31 HE1 TYR 3 HE1 TYR 3 -10.696 -4.121 -5.646
32 HE2 TYR 3 HE2 TYR 3 -12.764 -7.636 -7.029
33 HH TYR 3 HH TYR 3 -9.644 -6.017 -6.335
34 H GLY 4 H GLY 4 -13.685 -4.659 -3.378
35 1HA GLY 4 2HA GLY 4 -12.647 -6.071 -1.872
36 2HA GLY 4 1HA GLY 4 -13.754 -7.360 -2.286
37 H ASN 5 H ASN 5 -13.224 -7.448 0.268
38 HA ASN 5 HA ASN 5 -15.589 -7.099 1.689
39 1HB ASN 5 1HB ASN 5 -13.723 -8.609 2.257
40 2HB ASN 5 2HB ASN 5 -12.747 -7.236 2.771
41 1HD2 ASN 5 1HD2 ASN 5 -15.841 -8.999 3.517
42 2HD2 ASN 5 2HD2 ASN 5 -15.803 -8.490 5.206
43 H GLY 6 H GLY 6 -12.893 -4.829 1.491
44 1HA GLY 6 2HA GLY 6 -13.395 -2.947 3.455
45 2HA GLY 6 1HA GLY 6 -14.585 -2.514 2.254
46 H VAL 7 H VAL 7 -12.631 -3.393 0.097
47 HA VAL 7 HA VAL 7 -10.056 -2.281 0.441
48 HB VAL 7 HB VAL 7 -9.729 -2.531 -2.001
49 1HG1 VAL 7 2HG1 VAL 7 -9.406 -4.401 -0.519
50 2HG1 VAL 7 3HG1 VAL 7 -11.145 -4.831 -0.654
51 3HG1 VAL 7 1HG1 VAL 7 -10.072 -4.930 -2.085
52 1HG2 VAL 7 2HG2 VAL 7 -12.688 -3.236 -2.085
53 2HG2 VAL 7 3HG2 VAL 7 -11.831 -2.001 -3.047
54 3HG2 VAL 7 1HG2 VAL 7 -11.504 -3.713 -3.327
55 H HIS 8 H HIS 8 -12.743 -0.841 -1.377
56 HA HIS 8 HA HIS 8 -11.180 1.561 -1.903
57 1HB HIS 8 1HB HIS 8 -14.126 0.989 -2.302
58 2HB HIS 8 2HB HIS 8 -13.293 2.481 -2.808
59 HD1 HIS 8 HD1 HIS 8 -14.658 0.093 -4.713
60 HD2 HIS 8 HD2 HIS 8 -10.629 1.076 -4.018
61 HE1 HIS 8 HE1 HIS 8 -13.244 -1.005 -6.628
62 HE2 HIS 8 HE2 HIS 8 -10.836 -0.368 -6.173
63 H CYS 9 H CYS 9 -10.546 2.510 -0.228
64 HA CYS 9 HA CYS 9 -12.315 3.445 1.976
65 1HB CYS 9 1HB CYS 9 -11.114 2.438 3.590
66 2HB CYS 9 2HB CYS 9 -10.813 1.276 2.307
67 H GLY 10 H GLY 10 -11.334 5.174 3.333
68 1HA GLY 10 2HA GLY 10 -10.674 7.413 3.431
69 2HA GLY 10 1HA GLY 10 -10.609 7.397 1.680
70 H LYS 11 H LYS 11 -8.583 5.185 3.430
71 HA LYS 11 HA LYS 11 -6.212 6.874 3.631
72 1HB LYS 11 1HB LYS 11 -6.428 3.839 3.626
73 2HB LYS 11 2HB LYS 11 -5.037 4.745 4.164
74 1HG LYS 11 1HG LYS 11 -7.761 4.646 5.511
75 2HG LYS 11 2HG LYS 11 -6.253 3.966 6.093
76 1HD LYS 11 1HD LYS 11 -5.307 6.310 6.222
77 2HD LYS 11 2HD LYS 11 -6.932 6.925 5.852
78 1HE LYS 11 1HE LYS 11 -6.219 5.108 8.193
79 2HE LYS 11 2HE LYS 11 -6.313 6.847 8.298
80 1HZ LYS 11 3HZ LYS 11 -8.658 6.709 7.649
81 2HZ LYS 11 2HZ LYS 11 -8.585 5.086 7.580
82 3HZ LYS 11 1HZ LYS 11 -8.383 5.829 9.010
83 H HIS 12 H HIS 12 -7.513 5.165 1.013
84 HA HIS 12 HA HIS 12 -6.893 4.533 -1.047
85 1HB HIS 12 1HB HIS 12 -5.263 7.095 -0.918
86 2HB HIS 12 2HB HIS 12 -5.617 6.185 -2.384
87 HD1 HIS 12 HD1 HIS 12 -7.247 8.747 -0.109
88 HD2 HIS 12 HD2 HIS 12 -8.320 5.872 -3.031
89 HE1 HIS 12 HE1 HIS 12 -9.630 9.258 -0.778
90 HE2 HIS 12 HE2 HIS 12 -10.299 7.524 -2.567
91 H SER 13 H SER 13 -4.063 4.531 1.054
92 HA SER 13 HA SER 13 -2.487 2.861 -0.682
93 1HB SER 13 1HB SER 13 -2.619 2.902 2.372
94 2HB SER 13 2HB SER 13 -1.346 2.153 1.391
95 HG SER 13 HG SER 13 -0.798 4.213 2.106
96 H CYS 14 H CYS 14 -5.485 2.252 0.737
97 HA CYS 14 HA CYS 14 -5.382 -0.684 0.827
98 1HB CYS 14 1HB CYS 14 -7.875 -0.307 1.171
99 2HB CYS 14 2HB CYS 14 -6.801 0.383 2.371
100 H THR 15 H THR 15 -8.031 0.682 -0.824
101 HA THR 15 HA THR 15 -8.893 0.763 -2.830
102 HB THR 15 HB THR 15 -6.053 1.077 -3.859
103 HG1 THR 15 HG1 THR 15 -6.261 2.930 -2.943
104 1HG2 THR 15 1HG2 THR 15 -8.751 1.875 -5.062
105 2HG2 THR 15 3HG2 THR 15 -7.162 2.431 -5.638
106 3HG2 THR 15 2HG2 THR 15 -7.618 0.712 -5.771
107 H VAL 16 H VAL 16 -6.597 -1.866 -2.542
108 HA VAL 16 HA VAL 16 -8.522 -3.512 -3.968
109 HB VAL 16 HB VAL 16 -5.595 -4.015 -4.584
110 1HG1 VAL 16 3HG1 VAL 16 -8.165 -4.584 -6.146
111 2HG1 VAL 16 1HG1 VAL 16 -6.508 -4.963 -6.656
112 3HG1 VAL 16 2HG1 VAL 16 -7.170 -5.773 -5.254
113 1HG2 VAL 16 3HG2 VAL 16 -7.344 -2.203 -6.276
114 2HG2 VAL 16 1HG2 VAL 16 -5.871 -1.681 -5.418
115 3HG2 VAL 16 2HG2 VAL 16 -5.743 -2.859 -6.733
116 H ASP 17 H ASP 17 -8.000 -5.920 -3.480
117 HA ASP 17 HA ASP 17 -7.709 -6.465 -0.767
118 1HB ASP 17 1HB ASP 17 -8.694 -7.889 -2.546
119 2HB ASP 17 2HB ASP 17 -7.091 -8.274 -3.146
120 H TRP 18 H TRP 18 -5.133 -5.582 -2.805
121 HA TRP 18 HA TRP 18 -2.908 -6.888 -1.509
122 1HB TRP 18 1HB TRP 18 -1.545 -5.486 -2.809
123 2HB TRP 18 2HB TRP 18 -2.829 -6.103 -3.798
124 HD1 TRP 18 HD1 TRP 18 -4.304 -3.170 -2.020
125 HE1 TRP 18 HE1 TRP 18 -4.106 -1.115 -3.281
126 HE3 TRP 18 HE3 TRP 18 -1.098 -4.788 -5.717
127 HZ2 TRP 18 HZ2 TRP 18 -2.857 -0.126 -5.715
128 HZ3 TRP 18 HZ3 TRP 18 -0.472 -3.218 -7.543
129 HH2 TRP 18 HH2 TRP 18 -1.401 -0.889 -7.562
130 H GLY 19 H GLY 19 -4.934 -4.535 -0.236
131 1HA GLY 19 2HA GLY 19 -4.799 -3.058 1.564
132 2HA GLY 19 1HA GLY 19 -3.532 -2.378 0.559
133 H THR 20 H THR 20 -3.435 -5.419 2.464
134 HA THR 20 HA THR 20 -1.767 -4.298 4.536
135 HB THR 20 HB THR 20 -1.451 -6.727 5.187
136 HG1 THR 20 HG1 THR 20 -2.801 -8.189 4.108
137 1HG2 THR 20 1HG2 THR 20 -4.314 -5.766 4.810
138 2HG2 THR 20 3HG2 THR 20 -3.799 -7.048 5.903
139 3HG2 THR 20 2HG2 THR 20 -3.216 -5.394 6.165
140 H ALA 21 H ALA 21 -1.042 -6.030 1.539
141 HA ALA 21 HA ALA 21 1.799 -6.329 2.059
142 1HB ALA 21 1HB ALA 21 0.642 -7.704 0.373
143 2HB ALA 21 3HB ALA 21 1.956 -6.776 -0.364
144 3HB ALA 21 2HB ALA 21 0.281 -6.257 -0.605
145 H ILE 22 H ILE 22 -0.164 -3.855 0.373
146 HA ILE 22 HA ILE 22 1.967 -1.981 -0.158
147 HB ILE 22 HB ILE 22 -0.924 -1.294 0.423
148 1HG1 ILE 22 1HG1 ILE 22 -1.039 -2.895 -1.381
149 2HG1 ILE 22 2HG1 ILE 22 -1.295 -1.272 -1.979
150 1HG2 ILE 22 2HG2 ILE 22 1.294 0.205 -1.037
151 2HG2 ILE 22 3HG2 ILE 22 -0.442 0.648 -1.032
152 3HG2 ILE 22 1HG2 ILE 22 0.493 0.656 0.470
153 1HD1 ILE 22 1HD1 ILE 22 0.970 -1.201 -2.912
154 2HD1 ILE 22 2HD1 ILE 22 1.279 -2.860 -2.293
155 3HD1 ILE 22 3HD1 ILE 22 0.059 -2.569 -3.540
156 H GLY 23 H GLY 23 -0.105 -2.329 2.752
157 1HA GLY 23 2HA GLY 23 0.369 -1.828 4.973
158 2HA GLY 23 1HA GLY 23 1.010 -0.312 4.352
159 H ASN 24 H ASN 24 2.131 -3.712 4.023
160 HA ASN 24 HA ASN 24 4.414 -3.532 5.759
161 1HB ASN 24 1HB ASN 24 3.372 -5.639 5.068
162 2HB ASN 24 2HB ASN 24 3.861 -5.366 3.399
163 1HD2 ASN 24 1HD2 ASN 24 5.672 -6.531 2.844
164 2HD2 ASN 24 2HD2 ASN 24 6.934 -6.933 4.024
165 H ILE 25 H ILE 25 4.173 -3.108 2.187
166 HA ILE 25 HA ILE 25 6.940 -2.563 1.700
167 HB ILE 25 HB ILE 25 4.422 -1.762 0.188
168 1HG1 ILE 25 1HG1 ILE 25 6.509 -3.814 -0.637
169 2HG1 ILE 25 2HG1 ILE 25 5.241 -4.278 0.477
170 1HG2 ILE 25 2HG2 ILE 25 7.332 -1.495 -0.634
171 2HG2 ILE 25 3HG2 ILE 25 5.949 -1.346 -1.756
172 3HG2 ILE 25 1HG2 ILE 25 6.156 -0.178 -0.461
173 1HD1 ILE 25 1HD1 ILE 25 3.518 -3.623 -1.217
174 2HD1 ILE 25 2HD1 ILE 25 4.844 -3.223 -2.341
175 3HD1 ILE 25 3HD1 ILE 25 4.634 -4.890 -1.775
176 H GLY 26 H GLY 26 4.235 -0.327 2.421
177 1HA GLY 26 2HA GLY 26 4.208 1.818 3.318
178 2HA GLY 26 1HA GLY 26 5.700 2.086 2.392
179 H ASN 27 H ASN 27 5.078 -0.163 5.147
180 HA ASN 27 HA ASN 27 6.481 1.268 7.130
181 1HB ASN 27 1HB ASN 27 4.971 -0.617 7.645
182 2HB ASN 27 2HB ASN 27 6.047 -1.742 6.826
183 1HD2 ASN 27 1HD2 ASN 27 7.576 -2.754 8.081
184 2HD2 ASN 27 2HD2 ASN 27 8.020 -2.195 9.687
185 H ASN 28 H ASN 28 7.742 -1.187 4.817
186 HA ASN 28 HA ASN 28 10.468 -0.983 5.855
187 1HB ASN 28 1HB ASN 28 9.214 -2.395 3.465
188 2HB ASN 28 2HB ASN 28 10.968 -2.372 3.799
189 1HD2 ASN 28 1HD2 ASN 28 7.820 -3.557 5.063
190 2HD2 ASN 28 2HD2 ASN 28 8.547 -4.775 6.061
191 H ALA 29 H ALA 29 8.712 0.676 3.264
192 HA ALA 29 HA ALA 29 10.938 2.145 2.164
193 1HB ALA 29 2HB ALA 29 8.059 3.076 2.527
194 2HB ALA 29 3HB ALA 29 9.278 3.759 1.458
195 3HB ALA 29 1HB ALA 29 8.679 2.132 1.150
196 H ALA 30 H ALA 30 8.783 2.881 4.969
197 HA ALA 30 HA ALA 30 10.196 5.228 5.784
198 1HB ALA 30 2HB ALA 30 7.878 4.660 6.408
199 2HB ALA 30 1HB ALA 30 8.902 5.044 7.811
200 3HB ALA 30 3HB ALA 30 8.472 3.353 7.451
201 H ALA 31 H ALA 31 10.750 1.779 6.542
202 HA ALA 31 HA ALA 31 12.729 2.295 8.593
203 1HB ALA 31 1HB ALA 31 12.193 -0.249 6.986
204 2HB ALA 31 2HB ALA 31 13.025 -0.107 8.548
205 3HB ALA 31 3HB ALA 31 11.311 0.247 8.451
206 H ASN 32 H ASN 32 13.198 0.867 5.324
207 HA ASN 32 HA ASN 32 16.067 0.957 5.646
208 1HB ASN 32 1HB ASN 32 14.864 -0.925 4.621
209 2HB ASN 32 2HB ASN 32 14.423 0.099 3.249
210 1HD2 ASN 32 1HD2 ASN 32 17.258 -1.199 4.997
211 2HD2 ASN 32 2HD2 ASN 32 18.278 -1.207 3.550
212 H TRP 33 H TRP 33 13.808 3.036 3.866
213 HA TRP 33 HA TRP 33 16.053 4.674 2.774
214 1HB TRP 33 1HB TRP 33 13.043 4.971 2.385
215 2HB TRP 33 2HB TRP 33 14.254 6.033 1.735
216 HD1 TRP 33 HD1 TRP 33 14.992 5.646 -0.566
217 HE1 TRP 33 HE1 TRP 33 14.795 3.800 -2.343
218 HE3 TRP 33 HE3 TRP 33 13.051 1.865 2.351
219 HZ2 TRP 33 HZ2 TRP 33 13.948 1.069 -2.488
220 HZ3 TRP 33 HZ3 TRP 33 12.522 -0.310 1.346
221 HH2 TRP 33 HH2 TRP 33 12.953 -0.738 -1.069
222 H ALA 34 H ALA 34 14.706 4.340 5.667
223 HA ALA 34 HA ALA 34 14.543 5.398 7.591
224 1HB ALA 34 3HB ALA 34 16.937 5.796 6.983
225 2HB ALA 34 1HB ALA 34 16.478 7.410 6.422
226 3HB ALA 34 2HB ALA 34 16.291 6.967 8.146
227 H THR 35 H THR 35 13.544 7.293 4.958
228 HA THR 35 HA THR 35 11.611 8.764 6.743
229 HB THR 35 HB THR 35 13.574 10.145 6.045
230 HG1 THR 35 HG1 THR 35 11.025 10.919 5.185
231 1HG2 THR 35 1HG2 THR 35 13.893 9.366 3.713
232 2HG2 THR 35 3HG2 THR 35 12.330 10.089 3.270
233 3HG2 THR 35 2HG2 THR 35 13.682 11.105 3.831
234 H GLY 36 H GLY 36 11.738 6.537 4.290
235 1HA GLY 36 2HA GLY 36 8.999 6.844 3.387
236 2HA GLY 36 1HA GLY 36 10.239 5.739 2.778
237 H GLY 37 H GLY 37 8.345 8.339 1.925
238 1HA GLY 37 2HA GLY 37 10.031 9.967 0.311
239 2HA GLY 37 1HA GLY 37 8.277 9.804 0.179
240 H ASN 38 H ASN 38 9.091 6.747 -0.270
241 HA ASN 38 HA ASN 38 9.245 6.868 -3.211
242 1HB ASN 38 1HB ASN 38 11.587 6.606 -2.280
243 2HB ASN 38 2HB ASN 38 11.031 5.150 -1.425
244 1HD2 ASN 38 1HD2 ASN 38 11.656 6.564 -4.647
245 2HD2 ASN 38 2HD2 ASN 38 11.765 4.983 -5.422
246 H ALA 39 H ALA 39 8.346 5.039 -4.234
247 HA ALA 39 HA ALA 39 6.109 3.836 -2.912
248 1HB ALA 39 2HB ALA 39 5.790 2.765 -5.155
249 2HB ALA 39 1HB ALA 39 7.397 3.321 -5.624
250 3HB ALA 39 3HB ALA 39 6.113 4.502 -5.256
251 H GLY 40 H GLY 40 9.360 2.782 -2.940
252 1HA GLY 40 2HA GLY 40 8.737 0.223 -1.648
253 2HA GLY 40 1HA GLY 40 10.345 0.910 -1.987
254 H TRP 41 H TRP 41 9.938 -1.767 -2.330
255 HA TRP 41 HA TRP 41 10.706 -2.228 -5.069
256 1HB TRP 41 1HB TRP 41 11.091 -4.425 -4.395
257 2HB TRP 41 2HB TRP 41 11.619 -3.378 -3.085
258 HD1 TRP 41 HD1 TRP 41 8.657 -5.570 -4.078
259 HE1 TRP 41 HE1 TRP 41 7.425 -6.416 -2.033
260 HE3 TRP 41 HE3 TRP 41 11.489 -3.289 -0.478
261 HZ2 TRP 41 HZ2 TRP 41 7.694 -6.211 0.865
262 HZ3 TRP 41 HZ3 TRP 41 11.028 -3.672 1.905
263 HH2 TRP 41 HH2 TRP 41 9.117 -5.122 2.611
264 H ASN 42 H ASN 42 7.651 -1.888 -3.913
265 HA ASN 42 HA ASN 42 5.794 -3.596 -4.412
266 1HB ASN 42 1HB ASN 42 5.323 -1.245 -4.029
267 2HB ASN 42 2HB ASN 42 5.851 -0.821 -5.660
268 1HD2 ASN 42 1HD2 ASN 42 3.447 -2.978 -3.990
269 2HD2 ASN 42 2HD2 ASN 42 2.192 -2.637 -5.182
270 H LYS 43 H LYS 43 5.882 -5.405 -5.600
271 HA LYS 43 HA LYS 43 7.093 -5.762 -8.026
272 1HB LYS 43 1HB LYS 43 4.875 -7.347 -6.674
273 2HB LYS 43 2HB LYS 43 5.909 -7.989 -7.935
274 1HG LYS 43 1HG LYS 43 7.044 -6.862 -5.318
275 2HG LYS 43 2HG LYS 43 6.421 -8.465 -5.431
276 1HD LYS 43 1HD LYS 43 8.019 -8.952 -7.333
277 2HD LYS 43 2HD LYS 43 8.703 -7.320 -7.124
278 1HE LYS 43 1HE LYS 43 9.343 -7.915 -4.792
279 2HE LYS 43 2HE LYS 43 8.683 -9.531 -5.019
280 1HZ LYS 43 1HZ LYS 43 10.291 -9.880 -6.793
281 2HZ LYS 43 3HZ LYS 43 10.949 -8.396 -6.557
282 3HZ LYS 43 2HZ LYS 43 11.071 -9.528 -5.410
No H/Q in entry = 282
Start of MODEL 7
1 H1 LYS 1 1H LYS 1 17.400 5.440 -1.075
2 H2 LYS 1 3H LYS 1 15.981 5.105 -0.338
3 H3 LYS 1 2H LYS 1 17.321 5.448 0.556
4 HA LYS 1 HA LYS 1 18.435 3.497 -0.165
5 1HB LYS 1 1HB LYS 1 16.748 3.505 1.853
6 2HB LYS 1 2HB LYS 1 15.734 2.524 0.832
7 1HG LYS 1 1HG LYS 1 17.617 0.870 0.609
8 2HG LYS 1 2HG LYS 1 18.634 1.901 1.605
9 1HD LYS 1 1HD LYS 1 17.036 1.630 3.500
10 2HD LYS 1 2HD LYS 1 15.996 0.662 2.440
11 1HE LYS 1 1HE LYS 1 17.998 -0.902 2.090
12 2HE LYS 1 2HE LYS 1 18.786 -0.040 3.405
13 1HZ LYS 1 2HZ LYS 1 16.172 -1.442 3.625
14 2HZ LYS 1 1HZ LYS 1 17.581 -2.015 4.220
15 3HZ LYS 1 3HZ LYS 1 16.903 -0.666 4.836
16 H TYR 2 H TYR 2 18.335 1.458 -1.205
17 HA TYR 2 HA TYR 2 18.438 1.951 -3.794
18 1HB TYR 2 1HB TYR 2 18.282 -0.890 -2.720
19 2HB TYR 2 2HB TYR 2 19.211 -0.291 -4.090
20 HD1 TYR 2 HD1 TYR 2 19.317 -1.193 -0.663
21 HD2 TYR 2 HD2 TYR 2 20.974 1.596 -3.503
22 HE1 TYR 2 HE1 TYR 2 21.243 -0.761 0.877
23 HE2 TYR 2 HE2 TYR 2 22.910 2.002 -1.976
24 HH TYR 2 HH TYR 2 23.211 0.359 1.182
25 H TYR 3 H TYR 3 16.380 -0.935 -3.358
26 HA TYR 3 HA TYR 3 14.668 0.005 -5.621
27 1HB TYR 3 1HB TYR 3 15.302 -1.883 -6.938
28 2HB TYR 3 2HB TYR 3 16.775 -1.097 -6.380
29 HD1 TYR 3 HD1 TYR 3 14.674 -4.162 -6.157
30 HD2 TYR 3 HD2 TYR 3 18.293 -2.255 -4.812
31 HE1 TYR 3 HE1 TYR 3 15.445 -6.311 -5.172
32 HE2 TYR 3 HE2 TYR 3 19.080 -4.399 -3.873
33 HH TYR 3 HH TYR 3 18.651 -6.632 -3.643
34 H GLY 4 H GLY 4 12.933 -1.581 -6.230
35 1HA GLY 4 2HA GLY 4 12.550 -3.993 -4.820
36 2HA GLY 4 1HA GLY 4 11.447 -3.290 -5.981
37 H ASN 5 H ASN 5 10.544 -4.819 -3.948
38 HA ASN 5 HA ASN 5 8.795 -2.999 -2.467
39 1HB ASN 5 1HB ASN 5 7.959 -4.998 -3.613
40 2HB ASN 5 2HB ASN 5 8.920 -6.068 -2.609
41 1HD2 ASN 5 1HD2 ASN 5 8.082 -6.637 -0.596
42 2HD2 ASN 5 2HD2 ASN 5 6.587 -5.952 0.050
43 H GLY 6 H GLY 6 10.792 -5.806 -1.416
44 1HA GLY 6 2HA GLY 6 11.332 -6.484 0.738
45 2HA GLY 6 1HA GLY 6 10.266 -5.200 1.325
46 H VAL 7 H VAL 7 13.068 -4.300 -0.653
47 HA VAL 7 HA VAL 7 14.962 -3.969 1.483
48 HB VAL 7 HB VAL 7 14.839 -2.304 -1.062
49 1HG1 VAL 7 1HG1 VAL 7 17.157 -3.122 0.734
50 2HG1 VAL 7 2HG1 VAL 7 17.344 -2.273 -0.822
51 3HG1 VAL 7 3HG1 VAL 7 16.505 -1.472 0.476
52 1HG2 VAL 7 3HG2 VAL 7 16.031 -5.074 -0.694
53 2HG2 VAL 7 1HG2 VAL 7 14.723 -4.571 -1.798
54 3HG2 VAL 7 2HG2 VAL 7 16.386 -3.987 -2.067
55 H HIS 8 H HIS 8 12.502 -1.885 0.127
56 HA HIS 8 HA HIS 8 13.376 0.578 1.186
57 1HB HIS 8 1HB HIS 8 10.841 -0.386 -0.130
58 2HB HIS 8 2HB HIS 8 10.962 1.241 0.535
59 HD1 HIS 8 HD1 HIS 8 11.295 -0.178 -2.725
60 HD2 HIS 8 HD2 HIS 8 13.703 2.267 -0.283
61 HE1 HIS 8 HE1 HIS 8 12.707 1.281 -4.300
62 HE2 HIS 8 HE2 HIS 8 14.215 2.717 -2.822
63 H CYS 9 H CYS 9 13.778 0.441 3.281
64 HA CYS 9 HA CYS 9 13.463 1.365 5.348
65 1HB CYS 9 1HB CYS 9 11.856 2.843 4.279
66 2HB CYS 9 2HB CYS 9 10.541 1.705 4.586
67 H GLY 10 H GLY 10 10.771 -0.887 4.737
68 1HA GLY 10 2HA GLY 10 11.518 -2.728 6.863
69 2HA GLY 10 1HA GLY 10 10.016 -2.738 5.923
70 H LYS 11 H LYS 11 9.700 -3.428 8.406
71 HA LYS 11 HA LYS 11 8.402 -3.188 10.263
72 1HB LYS 11 1HB LYS 11 9.949 -0.586 10.521
73 2HB LYS 11 2HB LYS 11 8.977 -1.315 11.795
74 1HG LYS 11 1HG LYS 11 10.373 -3.344 11.770
75 2HG LYS 11 2HG LYS 11 11.384 -2.666 10.485
76 1HD LYS 11 1HD LYS 11 11.018 -1.385 13.221
77 2HD LYS 11 2HD LYS 11 12.325 -2.509 12.816
78 1HE LYS 11 1HE LYS 11 13.001 -0.986 10.931
79 2HE LYS 11 2HE LYS 11 11.756 0.146 11.441
80 1HZ LYS 11 3HZ LYS 11 12.909 0.286 13.609
81 2HZ LYS 11 2HZ LYS 11 14.102 -0.687 13.058
82 3HZ LYS 11 1HZ LYS 11 13.872 0.792 12.395
83 H HIS 12 H HIS 12 8.387 0.030 8.915
84 HA HIS 12 HA HIS 12 5.388 0.206 9.045
85 1HB HIS 12 1HB HIS 12 7.402 2.463 9.287
86 2HB HIS 12 2HB HIS 12 5.640 2.608 9.468
87 HD1 HIS 12 HD1 HIS 12 4.826 0.617 11.571
88 HD2 HIS 12 HD2 HIS 12 8.536 2.622 11.604
89 HE1 HIS 12 HE1 HIS 12 5.686 0.498 13.979
90 HE2 HIS 12 HE2 HIS 12 7.930 1.728 14.006
91 H SER 13 H SER 13 7.773 -0.260 6.885
92 HA SER 13 HA SER 13 8.001 -0.065 4.634
93 1HB SER 13 1HB SER 13 4.973 0.116 4.769
94 2HB SER 13 2HB SER 13 5.897 -0.301 3.324
95 HG SER 13 HG SER 13 5.251 -2.150 4.482
96 H CYS 14 H CYS 14 8.528 2.321 5.846
97 HA CYS 14 HA CYS 14 6.941 4.522 5.216
98 1HB CYS 14 1HB CYS 14 8.518 5.866 6.202
99 2HB CYS 14 2HB CYS 14 8.481 4.366 7.106
100 H THR 15 H THR 15 9.104 3.156 2.909
101 HA THR 15 HA THR 15 8.597 5.489 1.143
102 HB THR 15 HB THR 15 10.814 5.750 2.328
103 HG1 THR 15 HG1 THR 15 10.870 5.553 -0.470
104 1HG2 THR 15 2HG2 THR 15 11.547 3.346 2.143
105 2HG2 THR 15 1HG2 THR 15 11.784 3.617 0.403
106 3HG2 THR 15 3HG2 THR 15 12.736 4.543 1.590
107 H VAL 16 H VAL 16 7.848 2.465 1.300
108 HA VAL 16 HA VAL 16 9.026 1.115 -0.893
109 HB VAL 16 HB VAL 16 6.286 0.606 0.362
110 1HG1 VAL 16 1HG1 VAL 16 8.207 -1.125 -1.271
111 2HG1 VAL 16 2HG1 VAL 16 6.805 -1.740 -0.366
112 3HG1 VAL 16 3HG1 VAL 16 6.526 -0.656 -1.713
113 1HG2 VAL 16 1HG2 VAL 16 8.178 0.562 2.029
114 2HG2 VAL 16 2HG2 VAL 16 7.395 -1.015 1.763
115 3HG2 VAL 16 3HG2 VAL 16 8.971 -0.665 1.046
116 H ASP 17 H ASP 17 8.356 0.696 -3.002
117 HA ASP 17 HA ASP 17 7.260 2.742 -4.577
118 1HB ASP 17 1HB ASP 17 8.894 0.920 -5.158
119 2HB ASP 17 2HB ASP 17 7.545 -0.195 -5.257
120 H TRP 18 H TRP 18 5.423 0.833 -2.616
121 HA TRP 18 HA TRP 18 3.161 0.109 -4.256
122 1HB TRP 18 1HB TRP 18 2.105 -0.596 -2.237
123 2HB TRP 18 2HB TRP 18 3.776 -1.119 -2.242
124 HD1 TRP 18 HD1 TRP 18 4.126 2.334 -1.231
125 HE1 TRP 18 HE1 TRP 18 4.036 2.702 1.219
126 HE3 TRP 18 HE3 TRP 18 2.265 -2.246 0.193
127 HZ2 TRP 18 HZ2 TRP 18 3.204 1.260 3.592
128 HZ3 TRP 18 HZ3 TRP 18 1.797 -2.682 2.601
129 HH2 TRP 18 HH2 TRP 18 2.285 -0.954 4.302
130 H GLY 19 H GLY 19 4.041 3.116 -3.562
131 1HA GLY 19 2HA GLY 19 2.990 5.171 -3.931
132 2HA GLY 19 1HA GLY 19 2.206 4.710 -2.419
133 H THR 20 H THR 20 1.707 3.530 -5.802
134 HA THR 20 HA THR 20 -0.903 4.860 -5.998
135 HB THR 20 HB THR 20 -1.022 3.608 -8.200
136 HG1 THR 20 HG1 THR 20 0.331 1.902 -7.854
137 1HG2 THR 20 1HG2 THR 20 1.449 5.309 -7.702
138 2HG2 THR 20 3HG2 THR 20 0.782 4.890 -9.291
139 3HG2 THR 20 2HG2 THR 20 -0.170 5.888 -8.151
140 H ALA 21 H ALA 21 0.107 1.617 -5.070
141 HA ALA 21 HA ALA 21 -2.544 0.402 -5.271
142 1HB ALA 21 3HB ALA 21 -1.607 -1.347 -3.878
143 2HB ALA 21 1HB ALA 21 -0.484 -0.970 -5.207
144 3HB ALA 21 2HB ALA 21 -0.145 -0.394 -3.562
145 H ILE 22 H ILE 22 -0.619 1.799 -2.450
146 HA ILE 22 HA ILE 22 -2.831 1.716 -0.677
147 HB ILE 22 HB ILE 22 -1.546 3.101 0.726
148 1HG1 ILE 22 1HG1 ILE 22 0.606 3.329 -1.399
149 2HG1 ILE 22 2HG1 ILE 22 -0.522 4.643 -1.013
150 1HG2 ILE 22 3HG2 ILE 22 -1.059 0.641 0.537
151 2HG2 ILE 22 1HG2 ILE 22 0.311 1.037 -0.531
152 3HG2 ILE 22 2HG2 ILE 22 0.319 1.560 1.143
153 1HD1 ILE 22 1HD1 ILE 22 0.290 4.654 1.325
154 2HD1 ILE 22 2HD1 ILE 22 1.548 3.471 0.862
155 3HD1 ILE 22 3HD1 ILE 22 1.539 5.068 0.124
156 H GLY 23 H GLY 23 -1.941 4.154 -3.136
157 1HA GLY 23 2HA GLY 23 -3.199 5.895 -3.975
158 2HA GLY 23 1HA GLY 23 -3.793 6.149 -2.333
159 H ASN 24 H ASN 24 -4.157 3.449 -4.676
160 HA ASN 24 HA ASN 24 -6.891 3.805 -5.311
161 1HB ASN 24 1HB ASN 24 -5.339 2.524 -6.668
162 2HB ASN 24 2HB ASN 24 -5.155 1.326 -5.357
163 1HD2 ASN 24 1HD2 ASN 24 -7.513 2.738 -7.697
164 2HD2 ASN 24 2HD2 ASN 24 -8.586 1.349 -7.637
165 H ILE 25 H ILE 25 -5.390 1.766 -2.795
166 HA ILE 25 HA ILE 25 -7.786 0.666 -1.710
167 HB ILE 25 HB ILE 25 -5.139 1.332 -0.365
168 1HG1 ILE 25 1HG1 ILE 25 -6.216 -1.439 -1.095
169 2HG1 ILE 25 2HG1 ILE 25 -5.360 -0.503 -2.279
170 1HG2 ILE 25 3HG2 ILE 25 -7.460 -0.318 0.752
171 2HG2 ILE 25 1HG2 ILE 25 -5.838 -0.279 1.465
172 3HG2 ILE 25 2HG2 ILE 25 -6.799 1.193 1.420
173 1HD1 ILE 25 2HD1 ILE 25 -3.334 -0.408 -0.851
174 2HD1 ILE 25 3HD1 ILE 25 -4.162 -1.433 0.352
175 3HD1 ILE 25 1HD1 ILE 25 -3.819 -2.050 -1.253
176 H GLY 26 H GLY 26 -6.063 3.687 -0.754
177 1HA GLY 26 2HA GLY 26 -6.834 5.668 0.176
178 2HA GLY 26 1HA GLY 26 -7.838 4.672 1.199
179 H ASN 27 H ASN 27 -7.834 5.249 -2.319
180 HA ASN 27 HA ASN 27 -10.178 6.876 -2.548
181 1HB ASN 27 1HB ASN 27 -8.491 6.650 -4.331
182 2HB ASN 27 2HB ASN 27 -8.924 4.960 -4.557
183 1HD2 ASN 27 1HD2 ASN 27 -10.695 4.467 -5.985
184 2HD2 ASN 27 2HD2 ASN 27 -11.697 5.752 -6.622
185 H ASN 28 H ASN 28 -9.891 3.328 -2.874
186 HA ASN 28 HA ASN 28 -12.702 2.892 -3.238
187 1HB ASN 28 1HB ASN 28 -10.797 1.377 -3.974
188 2HB ASN 28 2HB ASN 28 -10.447 0.978 -2.307
189 1HD2 ASN 28 1HD2 ASN 28 -11.328 -0.928 -1.608
190 2HD2 ASN 28 2HD2 ASN 28 -12.727 -1.660 -2.415
191 H ALA 29 H ALA 29 -10.739 2.926 -0.222
192 HA ALA 29 HA ALA 29 -12.904 2.202 1.515
193 1HB ALA 29 3HB ALA 29 -10.477 3.987 2.010
194 2HB ALA 29 1HB ALA 29 -11.521 3.297 3.260
195 3HB ALA 29 2HB ALA 29 -10.535 2.226 2.226
196 H ALA 30 H ALA 30 -11.917 5.404 0.202
197 HA ALA 30 HA ALA 30 -14.094 6.845 1.452
198 1HB ALA 30 2HB ALA 30 -12.044 7.929 0.669
199 2HB ALA 30 3HB ALA 30 -12.470 7.560 -1.032
200 3HB ALA 30 1HB ALA 30 -13.492 8.642 -0.071
201 H ALA 31 H ALA 31 -13.924 4.962 -1.592
202 HA ALA 31 HA ALA 31 -16.346 6.073 -2.680
203 1HB ALA 31 3HB ALA 31 -14.841 3.534 -3.407
204 2HB ALA 31 2HB ALA 31 -14.454 5.159 -3.999
205 3HB ALA 31 1HB ALA 31 -16.016 4.418 -4.422
206 H ASN 32 H ASN 32 -15.623 2.946 -1.113
207 HA ASN 32 HA ASN 32 -18.506 2.463 -0.554
208 1HB ASN 32 1HB ASN 32 -18.333 0.270 -1.668
209 2HB ASN 32 2HB ASN 32 -18.060 1.584 -2.779
210 1HD2 ASN 32 1HD2 ASN 32 -16.356 1.184 -4.237
211 2HD2 ASN 32 2HD2 ASN 32 -14.962 0.219 -3.747
212 H TRP 33 H TRP 33 -15.845 2.816 1.118
213 HA TRP 33 HA TRP 33 -14.743 1.867 2.886
214 1HB TRP 33 1HB TRP 33 -17.645 1.457 3.330
215 2HB TRP 33 2HB TRP 33 -16.539 0.664 4.453
216 HD1 TRP 33 HD1 TRP 33 -15.860 1.988 6.425
217 HE1 TRP 33 HE1 TRP 33 -15.871 4.450 7.159
218 HE3 TRP 33 HE3 TRP 33 -17.429 4.130 2.035
219 HZ2 TRP 33 HZ2 TRP 33 -16.522 7.001 5.989
220 HZ3 TRP 33 HZ3 TRP 33 -17.734 6.608 1.900
221 HH2 TRP 33 HH2 TRP 33 -17.296 8.039 3.867
222 H ALA 34 H ALA 34 -14.371 0.420 0.593
223 HA ALA 34 HA ALA 34 -13.629 -1.514 -0.246
224 1HB ALA 34 3HB ALA 34 -11.961 -1.160 1.508
225 2HB ALA 34 1HB ALA 34 -12.944 -2.057 2.677
226 3HB ALA 34 2HB ALA 34 -12.257 -2.915 1.299
227 H THR 35 H THR 35 -16.372 -1.429 0.214
228 HA THR 35 HA THR 35 -18.330 -2.544 0.394
229 HB THR 35 HB THR 35 -18.525 -4.748 -0.569
230 HG1 THR 35 HG1 THR 35 -15.811 -4.809 -0.115
231 1HG2 THR 35 1HG2 THR 35 -18.226 -2.815 -2.092
232 2HG2 THR 35 3HG2 THR 35 -16.474 -3.110 -2.119
233 3HG2 THR 35 2HG2 THR 35 -17.589 -4.346 -2.749
234 H GLY 36 H GLY 36 -16.514 -2.565 2.839
235 1HA GLY 36 2HA GLY 36 -17.771 -4.755 4.422
236 2HA GLY 36 1HA GLY 36 -17.250 -3.171 5.023
237 H GLY 37 H GLY 37 -14.839 -3.860 3.041
238 1HA GLY 37 2HA GLY 37 -13.126 -5.257 5.084
239 2HA GLY 37 1HA GLY 37 -12.543 -4.155 3.804
240 H ASN 38 H ASN 38 -14.862 -6.125 2.496
241 HA ASN 38 HA ASN 38 -13.340 -8.556 2.103
242 1HB ASN 38 1HB ASN 38 -16.001 -7.531 0.981
243 2HB ASN 38 2HB ASN 38 -15.361 -9.152 0.712
244 1HD2 ASN 38 1HD2 ASN 38 -15.285 -10.662 2.463
245 2HD2 ASN 38 2HD2 ASN 38 -16.205 -10.333 3.931
246 H ALA 39 H ALA 39 -13.386 -5.588 0.374
247 HA ALA 39 HA ALA 39 -12.761 -6.549 -2.268
248 1HB ALA 39 1HB ALA 39 -12.074 -3.910 -0.914
249 2HB ALA 39 3HB ALA 39 -13.570 -4.277 -1.816
250 3HB ALA 39 2HB ALA 39 -12.004 -4.243 -2.656
251 H GLY 40 H GLY 40 -10.837 -6.979 -3.235
252 1HA GLY 40 2HA GLY 40 -9.012 -8.454 -3.127
253 2HA GLY 40 1HA GLY 40 -8.808 -8.093 -1.412
254 H TRP 41 H TRP 41 -6.835 -7.327 -1.094
255 HA TRP 41 HA TRP 41 -5.182 -6.201 -3.221
256 1HB TRP 41 1HB TRP 41 -4.561 -4.159 -2.192
257 2HB TRP 41 2HB TRP 41 -6.280 -4.202 -2.506
258 HD1 TRP 41 HD1 TRP 41 -3.810 -4.620 0.411
259 HE1 TRP 41 HE1 TRP 41 -4.893 -3.943 2.550
260 HE3 TRP 41 HE3 TRP 41 -8.466 -3.586 -1.392
261 HZ2 TRP 41 HZ2 TRP 41 -7.444 -2.851 3.430
262 HZ3 TRP 41 HZ3 TRP 41 -10.212 -2.651 0.110
263 HH2 TRP 41 HH2 TRP 41 -9.727 -2.293 2.540
264 H ASN 42 H ASN 42 -3.026 -5.437 -1.895
265 HA ASN 42 HA ASN 42 -1.671 -7.803 -1.030
266 1HB ASN 42 1HB ASN 42 0.198 -6.167 -0.552
267 2HB ASN 42 2HB ASN 42 -0.447 -6.186 -2.185
268 1HD2 ASN 42 1HD2 ASN 42 -0.745 -4.349 0.893
269 2HD2 ASN 42 2HD2 ASN 42 -0.947 -2.797 0.079
270 H LYS 43 H LYS 43 -3.305 -8.387 0.661
271 HA LYS 43 HA LYS 43 -2.257 -7.777 3.363
272 1HB LYS 43 1HB LYS 43 -4.553 -7.736 4.289
273 2HB LYS 43 2HB LYS 43 -4.098 -6.330 3.335
274 1HG LYS 43 1HG LYS 43 -5.386 -7.122 1.435
275 2HG LYS 43 2HG LYS 43 -5.811 -8.626 2.267
276 1HD LYS 43 1HD LYS 43 -7.182 -7.450 3.861
277 2HD LYS 43 2HD LYS 43 -6.558 -5.874 3.313
278 1HE LYS 43 1HE LYS 43 -7.445 -6.351 1.018
279 2HE LYS 43 2HE LYS 43 -8.157 -7.843 1.600
280 1HZ LYS 43 2HZ LYS 43 -8.850 -5.129 2.581
281 2HZ LYS 43 1HZ LYS 43 -9.697 -6.005 1.497
282 3HZ LYS 43 3HZ LYS 43 -9.620 -6.537 3.031
No H/Q in entry = 282
Start of MODEL 8
1 H1 LYS 1 3H LYS 1 9.063 -7.603 -3.210
2 H2 LYS 1 2H LYS 1 8.962 -6.217 -2.377
3 H3 LYS 1 1H LYS 1 7.992 -6.432 -3.668
4 HA LYS 1 HA LYS 1 9.737 -6.405 -5.195
5 1HB LYS 1 1HB LYS 1 8.730 -4.261 -4.299
6 2HB LYS 1 2HB LYS 1 10.135 -4.043 -3.282
7 1HG LYS 1 1HG LYS 1 11.533 -3.523 -5.121
8 2HG LYS 1 2HG LYS 1 10.529 -4.424 -6.271
9 1HD LYS 1 1HD LYS 1 9.623 -1.870 -4.950
10 2HD LYS 1 2HD LYS 1 10.520 -1.929 -6.495
11 1HE LYS 1 1HE LYS 1 8.732 -3.441 -7.425
12 2HE LYS 1 2HE LYS 1 7.779 -3.171 -5.967
13 1HZ LYS 1 3HZ LYS 1 7.733 -0.795 -6.538
14 2HZ LYS 1 2HZ LYS 1 8.605 -1.088 -7.902
15 3HZ LYS 1 1HZ LYS 1 7.119 -1.697 -7.752
16 H TYR 2 H TYR 2 12.201 -5.371 -5.211
17 HA TYR 2 HA TYR 2 13.593 -7.648 -5.144
18 1HB TYR 2 1HB TYR 2 14.988 -4.985 -4.981
19 2HB TYR 2 2HB TYR 2 15.442 -6.429 -5.887
20 HD1 TYR 2 HD1 TYR 2 13.448 -7.210 -7.586
21 HD2 TYR 2 HD2 TYR 2 14.176 -3.177 -6.277
22 HE1 TYR 2 HE1 TYR 2 12.261 -6.332 -9.602
23 HE2 TYR 2 HE2 TYR 2 12.982 -2.306 -8.252
24 HH TYR 2 HH TYR 2 11.882 -2.863 -10.218
25 H TYR 3 H TYR 3 13.475 -5.541 -2.404
26 HA TYR 3 HA TYR 3 15.174 -7.372 -0.764
27 1HB TYR 3 1HB TYR 3 16.723 -5.705 -1.401
28 2HB TYR 3 2HB TYR 3 15.563 -4.398 -1.113
29 HD1 TYR 3 HD1 TYR 3 17.631 -7.017 0.558
30 HD2 TYR 3 HD2 TYR 3 15.274 -3.478 1.044
31 HE1 TYR 3 HE1 TYR 3 18.348 -6.882 2.942
32 HE2 TYR 3 HE2 TYR 3 16.004 -3.294 3.424
33 HH TYR 3 HH TYR 3 18.206 -5.687 4.915
34 H GLY 4 H GLY 4 13.432 -4.227 -0.338
35 1HA GLY 4 2HA GLY 4 11.220 -5.586 0.913
36 2HA GLY 4 1HA GLY 4 11.303 -3.897 0.394
37 H ASN 5 H ASN 5 13.434 -5.615 2.683
38 HA ASN 5 HA ASN 5 12.024 -4.937 5.021
39 1HB ASN 5 1HB ASN 5 14.921 -5.805 4.617
40 2HB ASN 5 2HB ASN 5 14.067 -5.777 6.180
41 1HD2 ASN 5 2HD2 ASN 5 14.967 -7.890 3.786
42 2HD2 ASN 5 1HD2 ASN 5 13.674 -9.063 4.016
43 H GLY 6 H GLY 6 13.333 -2.620 3.289
44 1HA GLY 6 2HA GLY 6 14.825 -0.999 5.182
45 2HA GLY 6 1HA GLY 6 13.113 -0.560 5.127
46 H VAL 7 H VAL 7 14.731 -1.704 2.219
47 HA VAL 7 HA VAL 7 14.519 0.987 0.976
48 HB VAL 7 HB VAL 7 16.774 0.744 1.673
49 1HG1 VAL 7 2HG1 VAL 7 16.937 -1.824 0.061
50 2HG1 VAL 7 3HG1 VAL 7 18.318 -0.967 0.823
51 3HG1 VAL 7 1HG1 VAL 7 17.066 -1.661 1.838
52 1HG2 VAL 7 3HG2 VAL 7 16.305 1.795 -0.531
53 2HG2 VAL 7 1HG2 VAL 7 17.945 1.142 -0.364
54 3HG2 VAL 7 2HG2 VAL 7 16.728 0.241 -1.305
55 H HIS 8 H HIS 8 14.250 1.069 -1.189
56 HA HIS 8 HA HIS 8 13.325 -1.007 -2.936
57 1HB HIS 8 1HB HIS 8 10.776 -0.423 -2.431
58 2HB HIS 8 2HB HIS 8 11.624 -1.684 -1.543
59 HD1 HIS 8 HD1 HIS 8 11.446 2.142 -0.969
60 HD2 HIS 8 HD2 HIS 8 11.214 -1.570 1.019
61 HE1 HIS 8 HE1 HIS 8 11.512 2.637 1.554
62 HE2 HIS 8 HE2 HIS 8 11.248 0.401 2.743
63 H CYS 9 H CYS 9 13.271 -0.008 -4.870
64 HA CYS 9 HA CYS 9 13.607 1.601 -6.433
65 1HB CYS 9 1HB CYS 9 11.171 1.885 -5.980
66 2HB CYS 9 2HB CYS 9 11.557 3.217 -4.886
67 H GLY 10 H GLY 10 15.301 1.610 -4.067
68 1HA GLY 10 2HA GLY 10 16.948 2.715 -2.928
69 2HA GLY 10 1HA GLY 10 15.726 3.948 -2.658
70 H LYS 11 H LYS 11 16.714 3.542 -5.948
71 HA LYS 11 HA LYS 11 18.845 5.484 -6.124
72 1HB LYS 11 1HB LYS 11 18.177 3.848 -7.887
73 2HB LYS 11 2HB LYS 11 16.721 4.796 -8.188
74 1HG LYS 11 1HG LYS 11 18.094 6.726 -8.892
75 2HG LYS 11 2HG LYS 11 19.567 5.808 -8.520
76 1HD LYS 11 1HD LYS 11 17.476 5.077 -10.626
77 2HD LYS 11 2HD LYS 11 19.031 5.886 -10.926
78 1HE LYS 11 1HE LYS 11 20.178 3.851 -10.013
79 2HE LYS 11 2HE LYS 11 18.627 3.057 -9.865
80 1HZ LYS 11 1HZ LYS 11 18.333 3.398 -12.293
81 2HZ LYS 11 3HZ LYS 11 19.838 4.024 -12.393
82 3HZ LYS 11 2HZ LYS 11 19.625 2.461 -11.967
83 H HIS 12 H HIS 12 15.370 5.863 -5.884
84 HA HIS 12 HA HIS 12 15.770 8.618 -4.991
85 1HB HIS 12 1HB HIS 12 14.245 9.742 -6.455
86 2HB HIS 12 2HB HIS 12 15.486 8.973 -7.397
87 HD1 HIS 12 HD1 HIS 12 14.367 6.197 -8.140
88 HD2 HIS 12 HD2 HIS 12 12.155 9.770 -7.886
89 HE1 HIS 12 HE1 HIS 12 12.406 5.914 -9.748
90 HE2 HIS 12 HE2 HIS 12 11.036 8.108 -9.577
91 H SER 13 H SER 13 14.584 5.890 -4.116
92 HA SER 13 HA SER 13 13.061 5.094 -2.675
93 1HB SER 13 1HB SER 13 13.224 7.922 -1.633
94 2HB SER 13 2HB SER 13 12.588 6.541 -0.702
95 HG SER 13 HG SER 13 14.631 5.568 -0.774
96 H CYS 14 H CYS 14 11.872 5.693 -5.081
97 HA CYS 14 HA CYS 14 9.573 7.327 -4.849
98 1HB CYS 14 1HB CYS 14 9.002 6.650 -6.977
99 2HB CYS 14 2HB CYS 14 10.769 6.685 -6.939
100 H THR 15 H THR 15 9.883 4.328 -3.362
101 HA THR 15 HA THR 15 6.949 3.978 -3.046
102 HB THR 15 HB THR 15 7.753 2.682 -5.085
103 HG1 THR 15 HG1 THR 15 6.543 0.854 -4.418
104 1HG2 THR 15 3HG2 THR 15 9.898 1.845 -3.927
105 2HG2 THR 15 2HG2 THR 15 8.848 0.741 -3.007
106 3HG2 THR 15 1HG2 THR 15 8.920 0.612 -4.771
107 H VAL 16 H VAL 16 6.622 1.937 -1.688
108 HA VAL 16 HA VAL 16 8.704 1.195 0.179
109 HB VAL 16 HB VAL 16 5.979 2.119 1.215
110 1HG1 VAL 16 2HG1 VAL 16 8.245 0.737 2.712
111 2HG1 VAL 16 3HG1 VAL 16 6.854 1.554 3.476
112 3HG1 VAL 16 1HG1 VAL 16 6.587 0.146 2.469
113 1HG2 VAL 16 1HG2 VAL 16 8.782 3.186 1.759
114 2HG2 VAL 16 2HG2 VAL 16 7.461 4.029 0.929
115 3HG2 VAL 16 3HG2 VAL 16 7.326 3.671 2.653
116 H ASP 17 H ASP 17 8.476 -0.946 0.811
117 HA ASP 17 HA ASP 17 7.424 -2.711 -1.087
118 1HB ASP 17 1HB ASP 17 9.342 -2.967 0.514
119 2HB ASP 17 2HB ASP 17 8.179 -3.341 1.770
120 H TRP 18 H TRP 18 5.540 -1.253 1.354
121 HA TRP 18 HA TRP 18 3.610 -3.310 1.904
122 1HB TRP 18 1HB TRP 18 2.368 -1.600 3.004
123 2HB TRP 18 2HB TRP 18 4.050 -1.475 3.452
124 HD1 TRP 18 HD1 TRP 18 3.600 0.186 0.152
125 HE1 TRP 18 HE1 TRP 18 3.453 2.648 0.382
126 HE3 TRP 18 HE3 TRP 18 3.000 0.475 5.247
127 HZ2 TRP 18 HZ2 TRP 18 3.200 4.626 2.499
128 HZ3 TRP 18 HZ3 TRP 18 2.825 2.697 6.333
129 HH2 TRP 18 HH2 TRP 18 2.965 4.782 4.968
130 H GLY 19 H GLY 19 4.110 -1.874 -0.975
131 1HA GLY 19 2HA GLY 19 2.928 -1.984 -2.979
132 2HA GLY 19 1HA GLY 19 2.006 -0.761 -2.132
133 H THR 20 H THR 20 2.120 -4.361 -2.047
134 HA THR 20 HA THR 20 -0.518 -4.613 -3.150
135 HB THR 20 HB THR 20 1.044 -6.736 -1.586
136 HG1 THR 20 HG1 THR 20 1.870 -7.233 -3.673
137 1HG2 THR 20 2HG2 THR 20 -0.942 -6.997 -3.900
138 2HG2 THR 20 1HG2 THR 20 -0.023 -8.319 -3.180
139 3HG2 THR 20 3HG2 THR 20 -1.249 -7.490 -2.218
140 H ALA 21 H ALA 21 0.547 -4.459 0.216
141 HA ALA 21 HA ALA 21 -1.929 -5.398 1.374
142 1HB ALA 21 2HB ALA 21 0.218 -5.390 2.608
143 2HB ALA 21 1HB ALA 21 -1.056 -4.481 3.444
144 3HB ALA 21 3HB ALA 21 0.222 -3.609 2.587
145 H ILE 22 H ILE 22 -0.575 -2.029 0.869
146 HA ILE 22 HA ILE 22 -3.014 -0.786 1.512
147 HB ILE 22 HB ILE 22 -2.034 1.205 0.703
148 1HG1 ILE 22 1HG1 ILE 22 0.381 -0.287 -0.349
149 2HG1 ILE 22 2HG1 ILE 22 -0.940 0.286 -1.383
150 1HG2 ILE 22 1HG2 ILE 22 -1.326 0.211 2.902
151 2HG2 ILE 22 2HG2 ILE 22 0.147 -0.387 2.130
152 3HG2 ILE 22 3HG2 ILE 22 -0.169 1.357 2.234
153 1HD1 ILE 22 3HD1 ILE 22 -0.577 2.601 -0.712
154 2HD1 ILE 22 1HD1 ILE 22 0.768 2.070 0.331
155 3HD1 ILE 22 2HD1 ILE 22 0.877 1.877 -1.443
156 H GLY 23 H GLY 23 -1.887 -2.207 -1.549
157 1HA GLY 23 2HA GLY 23 -2.973 -2.476 -3.569
158 2HA GLY 23 1HA GLY 23 -3.825 -0.958 -3.255
159 H ASN 24 H ASN 24 -3.833 -4.113 -1.503
160 HA ASN 24 HA ASN 24 -6.492 -4.925 -2.201
161 1HB ASN 24 1HB ASN 24 -4.790 -6.447 -1.315
162 2HB ASN 24 2HB ASN 24 -4.767 -5.550 0.228
163 1HD2 ASN 24 1HD2 ASN 24 -6.865 -7.522 -1.942
164 2HD2 ASN 24 2HD2 ASN 24 -7.907 -8.059 -0.633
165 H ILE 25 H ILE 25 -5.283 -3.057 0.621
166 HA ILE 25 HA ILE 25 -7.768 -2.468 1.852
167 HB ILE 25 HB ILE 25 -5.166 -0.952 1.802
168 1HG1 ILE 25 1HG1 ILE 25 -6.621 -2.258 4.127
169 2HG1 ILE 25 2HG1 ILE 25 -5.592 -3.199 3.051
170 1HG2 ILE 25 2HG2 ILE 25 -7.742 -0.206 3.296
171 2HG2 ILE 25 3HG2 ILE 25 -6.160 0.496 3.647
172 3HG2 ILE 25 1HG2 ILE 25 -6.931 0.789 2.081
173 1HD1 ILE 25 3HD1 ILE 25 -3.638 -1.788 3.611
174 2HD1 ILE 25 1HD1 ILE 25 -4.646 -0.848 4.730
175 3HD1 ILE 25 2HD1 ILE 25 -4.382 -2.561 5.048
176 H GLY 26 H GLY 26 -6.076 -0.356 -0.556
177 1HA GLY 26 2HA GLY 26 -6.924 1.104 -2.135
178 2HA GLY 26 1HA GLY 26 -8.123 1.537 -0.913
179 H ASN 27 H ASN 27 -7.617 -1.434 -2.850
180 HA ASN 27 HA ASN 27 -9.752 -1.058 -4.665
181 1HB ASN 27 1HB ASN 27 -7.888 -2.631 -5.034
182 2HB ASN 27 2HB ASN 27 -8.441 -3.623 -3.674
183 1HD2 ASN 27 1HD2 ASN 27 -9.575 -2.306 -6.860
184 2HD2 ASN 27 2HD2 ASN 27 -10.590 -3.702 -7.178
185 H ASN 28 H ASN 28 -9.759 -3.211 -1.708
186 HA ASN 28 HA ASN 28 -12.581 -3.695 -2.067
187 1HB ASN 28 1HB ASN 28 -10.976 -5.374 -1.223
188 2HB ASN 28 2HB ASN 28 -10.672 -4.369 0.198
189 1HD2 ASN 28 1HD2 ASN 28 -11.723 -5.222 1.965
190 2HD2 ASN 28 2HD2 ASN 28 -13.318 -5.992 1.891
191 H ALA 29 H ALA 29 -10.815 -1.256 -0.128
192 HA ALA 29 HA ALA 29 -13.037 -0.333 1.387
193 1HB ALA 29 3HB ALA 29 -10.745 0.478 1.759
194 2HB ALA 29 1HB ALA 29 -10.715 1.206 0.140
195 3HB ALA 29 2HB ALA 29 -11.797 1.843 1.379
196 H ALA 30 H ALA 30 -11.971 0.601 -1.960
197 HA ALA 30 HA ALA 30 -14.202 2.287 -2.474
198 1HB ALA 30 1HB ALA 30 -12.343 0.781 -4.357
199 2HB ALA 30 2HB ALA 30 -13.438 2.079 -4.844
200 3HB ALA 30 3HB ALA 30 -12.091 2.428 -3.730
201 H ALA 31 H ALA 31 -13.821 -1.233 -2.817
202 HA ALA 31 HA ALA 31 -16.240 -1.517 -4.449
203 1HB ALA 31 2HB ALA 31 -14.197 -2.977 -4.674
204 2HB ALA 31 1HB ALA 31 -15.714 -3.873 -4.461
205 3HB ALA 31 3HB ALA 31 -14.575 -3.697 -3.115
206 H ASN 32 H ASN 32 -15.692 -1.654 -0.965
207 HA ASN 32 HA ASN 32 -18.416 -2.811 -0.576
208 1HB ASN 32 1HB ASN 32 -16.491 -4.400 -0.339
209 2HB ASN 32 2HB ASN 32 -15.891 -3.434 1.002
210 1HD2 ASN 32 1HD2 ASN 32 -18.703 -5.331 -0.141
211 2HD2 ASN 32 2HD2 ASN 32 -19.231 -5.783 1.484
212 H TRP 33 H TRP 33 -16.253 -0.266 0.580
213 HA TRP 33 HA TRP 33 -18.093 0.415 2.846
214 1HB TRP 33 1HB TRP 33 -15.373 1.438 1.969
215 2HB TRP 33 2HB TRP 33 -16.432 2.398 2.968
216 HD1 TRP 33 HD1 TRP 33 -16.160 2.208 5.405
217 HE1 TRP 33 HE1 TRP 33 -15.173 0.537 7.079
218 HE3 TRP 33 HE3 TRP 33 -14.779 -1.493 2.139
219 HZ2 TRP 33 HZ2 TRP 33 -13.977 -2.105 7.015
220 HZ3 TRP 33 HZ3 TRP 33 -13.639 -3.547 2.995
221 HH2 TRP 33 HH2 TRP 33 -13.235 -3.839 5.413
222 H ALA 34 H ALA 34 -18.845 2.570 3.011
223 HA ALA 34 HA ALA 34 -20.216 3.560 0.647
224 1HB ALA 34 1HB ALA 34 -21.283 3.517 2.858
225 2HB ALA 34 2HB ALA 34 -20.030 4.588 3.515
226 3HB ALA 34 3HB ALA 34 -21.143 5.183 2.289
227 H THR 35 H THR 35 -17.089 3.980 1.460
228 HA THR 35 HA THR 35 -15.413 5.448 1.297
229 HB THR 35 HB THR 35 -15.064 6.555 -0.787
230 HG1 THR 35 HG1 THR 35 -16.647 6.473 -2.354
231 1HG2 THR 35 1HG2 THR 35 -14.736 4.086 -0.705
232 2HG2 THR 35 3HG2 THR 35 -16.430 3.856 -1.182
233 3HG2 THR 35 2HG2 THR 35 -15.302 4.629 -2.302
234 H GLY 36 H GLY 36 -17.682 6.449 2.816
235 1HA GLY 36 2HA GLY 36 -18.516 8.511 3.729
236 2HA GLY 36 1HA GLY 36 -17.492 9.414 2.631
237 H GLY 37 H GLY 37 -17.660 10.187 5.216
238 1HA GLY 37 2HA GLY 37 -16.479 10.733 7.117
239 2HA GLY 37 1HA GLY 37 -15.019 10.331 6.205
240 H ASN 38 H ASN 38 -17.268 7.816 6.639
241 HA ASN 38 HA ASN 38 -16.177 6.397 8.939
242 1HB ASN 38 1HB ASN 38 -17.603 4.590 8.081
243 2HB ASN 38 2HB ASN 38 -18.457 6.100 8.266
244 1HD2 ASN 38 1HD2 ASN 38 -19.583 6.886 6.485
245 2HD2 ASN 38 2HD2 ASN 38 -19.443 6.183 4.877
246 H ALA 39 H ALA 39 -14.373 7.223 6.499
247 HA ALA 39 HA ALA 39 -13.352 5.246 5.008
248 1HB ALA 39 2HB ALA 39 -11.723 7.351 6.500
249 2HB ALA 39 1HB ALA 39 -12.651 7.618 5.002
250 3HB ALA 39 3HB ALA 39 -11.256 6.539 4.995
251 H GLY 40 H GLY 40 -12.432 3.373 5.151
252 1HA GLY 40 2HA GLY 40 -11.921 1.785 7.352
253 2HA GLY 40 1HA GLY 40 -10.377 2.596 7.032
254 H TRP 41 H TRP 41 -10.118 -0.403 4.921
255 HA TRP 41 HA TRP 41 -10.086 0.321 7.830
256 1HB TRP 41 1HB TRP 41 -10.359 -1.881 8.388
257 2HB TRP 41 2HB TRP 41 -11.443 -1.706 7.034
258 HD1 TRP 41 HD1 TRP 41 -8.494 -3.543 8.285
259 HE1 TRP 41 HE1 TRP 41 -7.434 -5.056 6.522
260 HE3 TRP 41 HE3 TRP 41 -11.171 -1.998 4.205
261 HZ2 TRP 41 HZ2 TRP 41 -7.821 -5.663 3.721
262 HZ3 TRP 41 HZ3 TRP 41 -10.730 -2.985 1.979
263 HH2 TRP 41 HH2 TRP 41 -9.079 -4.880 1.736
264 H ASN 42 H ASN 42 -8.181 -0.991 8.879
265 HA ASN 42 HA ASN 42 -5.835 -1.122 7.142
266 1HB ASN 42 1HB ASN 42 -5.892 1.174 8.266
267 2HB ASN 42 2HB ASN 42 -5.649 0.357 9.801
268 1HD2 ASN 42 1HD2 ASN 42 -4.231 0.582 6.493
269 2HD2 ASN 42 2HD2 ASN 42 -2.575 0.428 7.050
270 H LYS 43 H LYS 43 -4.104 -2.455 7.973
271 HA LYS 43 HA LYS 43 -4.713 -4.369 10.162
272 1HB LYS 43 1HB LYS 43 -4.284 -6.299 8.649
273 2HB LYS 43 2HB LYS 43 -5.802 -5.485 8.369
274 1HG LYS 43 1HG LYS 43 -5.284 -4.685 6.325
275 2HG LYS 43 2HG LYS 43 -3.560 -4.552 6.617
276 1HD LYS 43 1HD LYS 43 -5.083 -7.139 6.109
277 2HD LYS 43 2HD LYS 43 -4.058 -6.297 4.938
278 1HE LYS 43 1HE LYS 43 -3.203 -7.754 7.465
279 2HE LYS 43 2HE LYS 43 -2.833 -8.165 5.793
280 1HZ LYS 43 2HZ LYS 43 -1.532 -6.116 5.663
281 2HZ LYS 43 1HZ LYS 43 -1.824 -5.789 7.244
282 3HZ LYS 43 3HZ LYS 43 -0.931 -7.079 6.836
No H/Q in entry = 282
Start of MODEL 9
1 H1 LYS 1 3H LYS 1 -12.472 -0.740 9.635
2 H2 LYS 1 2H LYS 1 -10.881 -0.845 9.258
3 H3 LYS 1 1H LYS 1 -11.444 0.505 9.974
4 HA LYS 1 HA LYS 1 -12.834 1.044 8.130
5 1HB LYS 1 1HB LYS 1 -10.637 2.080 8.234
6 2HB LYS 1 2HB LYS 1 -9.920 0.711 7.383
7 1HG LYS 1 1HG LYS 1 -11.338 1.227 5.393
8 2HG LYS 1 2HG LYS 1 -12.080 2.561 6.257
9 1HD LYS 1 1HD LYS 1 -9.062 2.366 5.668
10 2HD LYS 1 2HD LYS 1 -10.220 3.150 4.612
11 1HE LYS 1 1HE LYS 1 -10.864 4.730 6.418
12 2HE LYS 1 2HE LYS 1 -9.725 3.935 7.514
13 1HZ LYS 1 2HZ LYS 1 -7.916 4.584 6.012
14 2HZ LYS 1 1HZ LYS 1 -8.959 5.347 5.013
15 3HZ LYS 1 3HZ LYS 1 -8.751 5.890 6.531
16 H TYR 2 H TYR 2 -10.528 -1.321 6.663
17 HA TYR 2 HA TYR 2 -12.332 -1.735 4.513
18 1HB TYR 2 1HB TYR 2 -9.923 -3.375 5.317
19 2HB TYR 2 2HB TYR 2 -10.607 -3.203 3.679
20 HD1 TYR 2 HD1 TYR 2 -7.804 -2.296 5.497
21 HD2 TYR 2 HD2 TYR 2 -10.901 -0.487 3.086
22 HE1 TYR 2 HE1 TYR 2 -6.327 -0.339 5.041
23 HE2 TYR 2 HE2 TYR 2 -9.359 1.411 2.571
24 HH TYR 2 HH TYR 2 -7.306 2.371 3.024
25 H TYR 3 H TYR 3 -12.880 -3.883 3.673
26 HA TYR 3 HA TYR 3 -13.962 -5.920 5.444
27 1HB TYR 3 1HB TYR 3 -15.561 -4.418 6.143
28 2HB TYR 3 2HB TYR 3 -15.606 -3.534 4.646
29 HD1 TYR 3 HD1 TYR 3 -16.649 -6.814 6.203
30 HD2 TYR 3 HD2 TYR 3 -17.318 -3.950 3.033
31 HE1 TYR 3 HE1 TYR 3 -18.710 -8.022 5.528
32 HE2 TYR 3 HE2 TYR 3 -19.350 -5.152 2.377
33 HH TYR 3 HH TYR 3 -20.456 -8.122 4.038
34 H GLY 4 H GLY 4 -14.659 -4.258 2.288
35 1HA GLY 4 2HA GLY 4 -15.516 -6.691 1.041
36 2HA GLY 4 1HA GLY 4 -13.947 -6.145 0.416
37 H ASN 5 H ASN 5 -15.600 -6.259 -1.424
38 HA ASN 5 HA ASN 5 -16.070 -5.094 -3.281
39 1HB ASN 5 1HB ASN 5 -18.110 -6.110 -2.378
40 2HB ASN 5 2HB ASN 5 -18.478 -4.634 -1.505
41 1HD2 ASN 5 1HD2 ASN 5 -17.825 -5.763 -4.910
42 2HD2 ASN 5 2HD2 ASN 5 -18.961 -4.649 -5.626
43 H GLY 6 H GLY 6 -17.718 -2.753 -1.357
44 1HA GLY 6 2HA GLY 6 -18.142 -0.562 -2.451
45 2HA GLY 6 1HA GLY 6 -16.495 -0.556 -3.019
46 H VAL 7 H VAL 7 -16.232 -1.536 0.130
47 HA VAL 7 HA VAL 7 -16.812 0.783 1.683
48 HB VAL 7 HB VAL 7 -16.558 -1.629 2.339
49 1HG1 VAL 7 1HG1 VAL 7 -14.273 -1.990 1.326
50 2HG1 VAL 7 2HG1 VAL 7 -13.584 -0.938 2.565
51 3HG1 VAL 7 3HG1 VAL 7 -14.373 -2.441 3.045
52 1HG2 VAL 7 3HG2 VAL 7 -16.820 0.222 3.963
53 2HG2 VAL 7 1HG2 VAL 7 -15.931 -1.171 4.597
54 3HG2 VAL 7 2HG2 VAL 7 -15.030 0.282 4.114
55 H HIS 8 H HIS 8 -14.156 0.165 -0.320
56 HA HIS 8 HA HIS 8 -11.998 1.162 1.228
57 1HB HIS 8 1HB HIS 8 -12.060 0.864 -1.786
58 2HB HIS 8 2HB HIS 8 -10.648 0.739 -0.729
59 HD1 HIS 8 HD1 HIS 8 -13.250 -1.382 -2.390
60 HD2 HIS 8 HD2 HIS 8 -10.688 -1.522 0.972
61 HE1 HIS 8 HE1 HIS 8 -13.303 -3.774 -1.546
62 HE2 HIS 8 HE2 HIS 8 -11.709 -3.892 0.467
63 H CYS 9 H CYS 9 -10.475 2.803 0.739
64 HA CYS 9 HA CYS 9 -11.122 5.372 -0.419
65 1HB CYS 9 1HB CYS 9 -8.531 5.348 -0.652
66 2HB CYS 9 2HB CYS 9 -9.216 5.380 0.966
67 H GLY 10 H GLY 10 -10.020 6.077 -2.508
68 1HA GLY 10 2HA GLY 10 -11.298 5.442 -4.660
69 2HA GLY 10 1HA GLY 10 -10.327 3.976 -4.630
70 H LYS 11 H LYS 11 -10.208 5.110 -6.751
71 HA LYS 11 HA LYS 11 -8.941 5.765 -8.480
72 1HB LYS 11 1HB LYS 11 -9.062 8.035 -8.879
73 2HB LYS 11 2HB LYS 11 -10.429 7.612 -7.862
74 1HG LYS 11 1HG LYS 11 -9.140 8.504 -5.884
75 2HG LYS 11 2HG LYS 11 -7.885 9.045 -7.000
76 1HD LYS 11 1HD LYS 11 -10.794 9.952 -7.103
77 2HD LYS 11 2HD LYS 11 -9.458 10.820 -6.318
78 1HE LYS 11 1HE LYS 11 -8.291 10.972 -8.526
79 2HE LYS 11 2HE LYS 11 -9.631 10.147 -9.288
80 1HZ LYS 11 1HZ LYS 11 -11.086 11.982 -8.611
81 2HZ LYS 11 3HZ LYS 11 -9.836 12.756 -7.902
82 3HZ LYS 11 2HZ LYS 11 -9.852 12.552 -9.505
83 H HIS 12 H HIS 12 -7.039 5.470 -5.848
84 HA HIS 12 HA HIS 12 -4.561 5.843 -7.460
85 1HB HIS 12 1HB HIS 12 -4.827 6.212 -4.442
86 2HB HIS 12 2HB HIS 12 -3.400 6.477 -5.419
87 HD1 HIS 12 HD1 HIS 12 -3.627 8.660 -7.183
88 HD2 HIS 12 HD2 HIS 12 -6.367 8.236 -4.005
89 HE1 HIS 12 HE1 HIS 12 -4.713 10.973 -6.850
90 HE2 HIS 12 HE2 HIS 12 -6.391 10.694 -4.906
91 H SER 13 H SER 13 -3.470 4.511 -4.822
92 HA SER 13 HA SER 13 -3.975 1.655 -5.610
93 1HB SER 13 1HB SER 13 -1.449 2.824 -4.374
94 2HB SER 13 2HB SER 13 -1.701 1.144 -4.902
95 HG SER 13 HG SER 13 -2.041 1.981 -7.010
96 H CYS 14 H CYS 14 -4.795 3.741 -3.228
97 HA CYS 14 HA CYS 14 -4.392 2.159 -0.828
98 1HB CYS 14 1HB CYS 14 -4.692 4.607 -0.852
99 2HB CYS 14 2HB CYS 14 -6.318 4.409 -1.531
100 H THR 15 H THR 15 -6.925 2.413 -3.231
101 HA THR 15 HA THR 15 -9.057 0.971 -2.418
102 HB THR 15 HB THR 15 -7.777 0.344 -5.093
103 HG1 THR 15 HG1 THR 15 -8.386 2.325 -5.831
104 1HG2 THR 15 3HG2 THR 15 -10.642 1.001 -4.304
105 2HG2 THR 15 2HG2 THR 15 -10.042 0.654 -5.934
106 3HG2 THR 15 1HG2 THR 15 -10.031 -0.621 -4.701
107 H VAL 16 H VAL 16 -9.791 -1.140 -2.463
108 HA VAL 16 HA VAL 16 -9.905 -3.374 -2.275
109 HB VAL 16 HB VAL 16 -6.976 -3.676 -3.109
110 1HG1 VAL 16 3HG1 VAL 16 -9.235 -5.715 -3.014
111 2HG1 VAL 16 1HG1 VAL 16 -7.674 -5.954 -3.799
112 3HG1 VAL 16 2HG1 VAL 16 -7.710 -5.689 -2.065
113 1HG2 VAL 16 3HG2 VAL 16 -9.539 -3.777 -4.785
114 2HG2 VAL 16 1HG2 VAL 16 -8.269 -2.550 -4.936
115 3HG2 VAL 16 2HG2 VAL 16 -7.930 -4.226 -5.363
116 H ASP 17 H ASP 17 -9.536 -5.002 -0.760
117 HA ASP 17 HA ASP 17 -9.463 -4.061 1.846
118 1HB ASP 17 1HB ASP 17 -10.587 -6.093 0.839
119 2HB ASP 17 2HB ASP 17 -9.059 -6.918 0.890
120 H TRP 18 H TRP 18 -6.690 -4.985 0.050
121 HA TRP 18 HA TRP 18 -4.900 -5.817 2.173
122 1HB TRP 18 1HB TRP 18 -3.196 -5.701 0.487
123 2HB TRP 18 2HB TRP 18 -4.618 -6.515 -0.124
124 HD1 TRP 18 HD1 TRP 18 -5.262 -2.855 -0.372
125 HE1 TRP 18 HE1 TRP 18 -4.994 -2.066 -2.682
126 HE3 TRP 18 HE3 TRP 18 -2.846 -6.928 -2.383
127 HZ2 TRP 18 HZ2 TRP 18 -3.646 -2.858 -5.145
128 HZ3 TRP 18 HZ3 TRP 18 -2.075 -6.842 -4.746
129 HH2 TRP 18 HH2 TRP 18 -2.478 -4.813 -6.118
130 H GLY 19 H GLY 19 -6.227 -2.851 1.867
131 1HA GLY 19 2HA GLY 19 -5.700 -0.663 2.358
132 2HA GLY 19 1HA GLY 19 -4.302 -0.984 1.328
133 H THR 20 H THR 20 -4.702 -2.431 4.577
134 HA THR 20 HA THR 20 -2.875 -0.531 5.829
135 HB THR 20 HB THR 20 -2.856 -2.248 7.696
136 HG1 THR 20 HG1 THR 20 -4.358 -3.927 7.535
137 1HG2 THR 20 2HG2 THR 20 -4.536 -0.422 7.686
138 2HG2 THR 20 1HG2 THR 20 -5.698 -1.551 6.902
139 3HG2 THR 20 3HG2 THR 20 -5.064 -1.868 8.535
140 H ALA 21 H ALA 21 -2.506 -3.703 4.320
141 HA ALA 21 HA ALA 21 0.293 -4.035 5.074
142 1HB ALA 21 2HB ALA 21 -1.076 -5.975 4.391
143 2HB ALA 21 1HB ALA 21 0.344 -5.757 3.340
144 3HB ALA 21 3HB ALA 21 -1.254 -5.267 2.765
145 H ILE 22 H ILE 22 -1.363 -2.765 2.145
146 HA ILE 22 HA ILE 22 0.975 -1.869 0.802
147 HB ILE 22 HB ILE 22 -1.829 -0.677 0.666
148 1HG1 ILE 22 1HG1 ILE 22 -2.051 -2.999 0.168
149 2HG1 ILE 22 2HG1 ILE 22 -2.137 -2.129 -1.338
150 1HG2 ILE 22 1HG2 ILE 22 0.492 -0.580 -1.326
151 2HG2 ILE 22 2HG2 ILE 22 -1.170 -0.003 -1.615
152 3HG2 ILE 22 3HG2 ILE 22 -0.166 0.796 -0.415
153 1HD1 ILE 22 1HD1 ILE 22 0.188 -2.787 -1.893
154 2HD1 ILE 22 2HD1 ILE 22 0.265 -3.719 -0.368
155 3HD1 ILE 22 3HD1 ILE 22 -0.906 -4.159 -1.631
156 H GLY 23 H GLY 23 -0.970 -0.207 3.337
157 1HA GLY 23 2HA GLY 23 -0.516 1.660 4.604
158 2HA GLY 23 1HA GLY 23 0.404 2.283 3.224
159 H ASN 24 H ASN 24 0.949 -0.623 5.203
160 HA ASN 24 HA ASN 24 3.207 0.297 6.725
161 1HB ASN 24 1HB ASN 24 1.792 -1.647 7.333
162 2HB ASN 24 2HB ASN 24 2.446 -2.525 5.931
163 1HD2 ASN 24 1HD2 ASN 24 3.726 -4.132 6.877
164 2HD2 ASN 24 2HD2 ASN 24 4.954 -3.747 8.081
165 H ILE 25 H ILE 25 3.082 -1.628 3.659
166 HA ILE 25 HA ILE 25 5.849 -1.670 3.087
167 HB ILE 25 HB ILE 25 3.404 -1.691 1.316
168 1HG1 ILE 25 1HG1 ILE 25 5.424 -3.923 1.748
169 2HG1 ILE 25 2HG1 ILE 25 4.131 -3.676 2.893
170 1HG2 ILE 25 3HG2 ILE 25 6.337 -2.001 0.505
171 2HG2 ILE 25 1HG2 ILE 25 4.959 -2.416 -0.527
172 3HG2 ILE 25 2HG2 ILE 25 5.187 -0.739 -0.062
173 1HD1 ILE 25 3HD1 ILE 25 2.432 -3.965 1.122
174 2HD1 ILE 25 1HD1 ILE 25 3.720 -4.326 -0.046
175 3HD1 ILE 25 2HD1 ILE 25 3.459 -5.393 1.353
176 H GLY 26 H GLY 26 3.440 0.797 2.092
177 1HA GLY 26 2HA GLY 26 3.673 2.996 1.523
178 2HA GLY 26 1HA GLY 26 5.197 2.526 0.755
179 H ASN 27 H ASN 27 4.280 2.572 4.198
180 HA ASN 27 HA ASN 27 5.820 4.811 5.065
181 1HB ASN 27 1HB ASN 27 4.042 3.738 6.385
182 2HB ASN 27 2HB ASN 27 5.019 2.288 6.590
183 1HD2 ASN 27 1HD2 ASN 27 4.956 5.848 7.245
184 2HD2 ASN 27 2HD2 ASN 27 5.962 5.710 8.691
185 H ASN 28 H ASN 28 6.795 1.370 4.836
186 HA ASN 28 HA ASN 28 9.497 1.943 5.844
187 1HB ASN 28 1HB ASN 28 8.159 -0.513 4.659
188 2HB ASN 28 2HB ASN 28 9.876 -0.488 5.043
189 1HD2 ASN 28 1HD2 ASN 28 6.659 -0.336 6.498
190 2HD2 ASN 28 2HD2 ASN 28 7.201 -0.724 8.116
191 H ALA 29 H ALA 29 8.054 1.594 2.608
192 HA ALA 29 HA ALA 29 10.428 1.809 1.072
193 1HB ALA 29 2HB ALA 29 8.220 1.269 0.073
194 2HB ALA 29 1HB ALA 29 8.947 2.664 -0.692
195 3HB ALA 29 3HB ALA 29 7.651 2.924 0.486
196 H ALA 30 H ALA 30 8.337 4.401 2.450
197 HA ALA 30 HA ALA 30 10.050 6.554 1.687
198 1HB ALA 30 1HB ALA 30 7.972 6.327 3.896
199 2HB ALA 30 2HB ALA 30 8.647 7.853 3.279
200 3HB ALA 30 3HB ALA 30 7.663 6.818 2.233
201 H ALA 31 H ALA 31 10.187 4.370 4.484
202 HA ALA 31 HA ALA 31 12.040 6.033 5.991
203 1HB ALA 31 3HB ALA 31 11.363 3.072 6.298
204 2HB ALA 31 1HB ALA 31 12.123 4.113 7.488
205 3HB ALA 31 2HB ALA 31 10.447 4.419 7.028
206 H ASN 32 H ASN 32 12.463 3.181 3.858
207 HA ASN 32 HA ASN 32 15.416 3.388 4.241
208 1HB ASN 32 1HB ASN 32 14.119 1.628 5.546
209 2HB ASN 32 2HB ASN 32 13.670 0.924 3.990
210 1HD2 ASN 32 1HD2 ASN 32 14.898 -0.949 3.690
211 2HD2 ASN 32 2HD2 ASN 32 16.608 -1.035 4.071
212 H TRP 33 H TRP 33 13.095 3.361 1.753
213 HA TRP 33 HA TRP 33 15.171 2.694 -0.319
214 1HB TRP 33 1HB TRP 33 12.338 1.649 -0.161
215 2HB TRP 33 2HB TRP 33 13.405 1.471 -1.560
216 HD1 TRP 33 HD1 TRP 33 15.834 0.227 -0.988
217 HE1 TRP 33 HE1 TRP 33 16.261 -1.914 0.348
218 HE3 TRP 33 HE3 TRP 33 11.545 0.158 1.804
219 HZ2 TRP 33 HZ2 TRP 33 14.847 -3.546 2.271
220 HZ3 TRP 33 HZ3 TRP 33 11.101 -1.719 3.370
221 HH2 TRP 33 HH2 TRP 33 12.732 -3.571 3.583
222 H ALA 34 H ALA 34 13.681 5.289 0.669
223 HA ALA 34 HA ALA 34 12.089 6.382 -1.355
224 1HB ALA 34 2HB ALA 34 14.002 7.810 0.522
225 2HB ALA 34 3HB ALA 34 12.558 8.496 -0.268
226 3HB ALA 34 1HB ALA 34 12.350 7.243 0.953
227 H THR 35 H THR 35 15.384 5.656 -1.751
228 HA THR 35 HA THR 35 16.180 7.617 -3.707
229 HB THR 35 HB THR 35 17.734 5.791 -4.465
230 HG1 THR 35 HG1 THR 35 17.836 3.971 -3.117
231 1HG2 THR 35 2HG2 THR 35 18.392 7.455 -2.785
232 2HG2 THR 35 1HG2 THR 35 17.750 6.436 -1.476
233 3HG2 THR 35 3HG2 THR 35 19.128 5.869 -2.433
234 H GLY 36 H GLY 36 13.898 5.036 -3.869
235 1HA GLY 36 2HA GLY 36 13.807 4.996 -6.838
236 2HA GLY 36 1HA GLY 36 12.522 5.889 -6.057
237 H GLY 37 H GLY 37 13.043 3.288 -3.987
238 1HA GLY 37 2HA GLY 37 10.732 1.802 -4.947
239 2HA GLY 37 1HA GLY 37 11.739 1.422 -3.553
240 H ASN 38 H ASN 38 13.944 1.655 -5.954
241 HA ASN 38 HA ASN 38 13.974 -1.271 -6.469
242 1HB ASN 38 1HB ASN 38 12.946 -0.245 -8.421
243 2HB ASN 38 2HB ASN 38 14.297 0.889 -8.584
244 1HD2 ASN 38 1HD2 ASN 38 15.696 0.259 -10.229
245 2HD2 ASN 38 2HD2 ASN 38 16.033 -1.418 -10.608
246 H ALA 39 H ALA 39 17.384 -0.794 -5.402
247 HA ALA 39 HA ALA 39 15.334 -2.759 -5.424
248 1HB ALA 39 1HB ALA 39 17.670 -3.131 -4.653
249 2HB ALA 39 3HB ALA 39 16.497 -3.595 -3.425
250 3HB ALA 39 2HB ALA 39 17.395 -2.063 -3.269
251 H GLY 40 H GLY 40 13.973 -3.379 -3.546
252 1HA GLY 40 2HA GLY 40 12.159 -1.259 -2.814
253 2HA GLY 40 1HA GLY 40 13.083 -1.820 -1.401
254 H TRP 41 H TRP 41 10.545 -2.092 -1.160
255 HA TRP 41 HA TRP 41 10.337 -4.981 -0.909
256 1HB TRP 41 1HB TRP 41 10.164 -3.366 0.969
257 2HB TRP 41 2HB TRP 41 8.663 -2.750 0.300
258 HD1 TRP 41 HD1 TRP 41 8.631 -6.455 0.015
259 HE1 TRP 41 HE1 TRP 41 7.306 -7.518 1.918
260 HE3 TRP 41 HE3 TRP 41 8.404 -2.419 3.126
261 HZ2 TRP 41 HZ2 TRP 41 6.267 -6.720 4.498
262 HZ3 TRP 41 HZ3 TRP 41 7.273 -2.638 5.367
263 HH2 TRP 41 HH2 TRP 41 6.233 -4.747 6.043
264 H ASN 42 H ASN 42 7.274 -4.320 -0.606
265 HA ASN 42 HA ASN 42 5.449 -5.285 -1.455
266 1HB ASN 42 1HB ASN 42 6.583 -4.615 -4.189
267 2HB ASN 42 2HB ASN 42 5.033 -5.413 -3.948
268 1HD2 ASN 42 1HD2 ASN 42 3.308 -4.262 -2.802
269 2HD2 ASN 42 2HD2 ASN 42 3.367 -2.493 -2.845
270 H LYS 43 H LYS 43 4.640 -7.226 -2.521
271 HA LYS 43 HA LYS 43 6.235 -9.486 -1.673
272 1HB LYS 43 1HB LYS 43 3.538 -9.454 -3.097
273 2HB LYS 43 2HB LYS 43 4.300 -10.829 -2.323
274 1HG LYS 43 1HG LYS 43 4.352 -9.548 -0.134
275 2HG LYS 43 2HG LYS 43 3.360 -8.289 -0.913
276 1HD LYS 43 1HD LYS 43 2.626 -11.239 -0.584
277 2HD LYS 43 2HD LYS 43 2.054 -9.911 0.438
278 1HE LYS 43 1HE LYS 43 0.911 -8.902 -1.507
279 2HE LYS 43 2HE LYS 43 1.503 -10.209 -2.548
280 1HZ LYS 43 3HZ LYS 43 -0.279 -10.617 -0.222
281 2HZ LYS 43 2HZ LYS 43 -0.764 -10.616 -1.756
282 3HZ LYS 43 1HZ LYS 43 0.264 -11.789 -1.234
No H/Q in entry = 282
Start of MODEL 10
1 H1 LYS 1 3H LYS 1 12.354 6.520 -1.312
2 H2 LYS 1 2H LYS 1 12.258 5.500 -0.023
3 H3 LYS 1 1H LYS 1 12.924 6.994 0.139
4 HA LYS 1 HA LYS 1 14.693 6.446 -1.328
5 1HB LYS 1 1HB LYS 1 16.003 5.042 0.122
6 2HB LYS 1 2HB LYS 1 15.004 6.128 1.097
7 1HG LYS 1 1HG LYS 1 13.396 4.160 1.425
8 2HG LYS 1 2HG LYS 1 14.577 3.153 0.586
9 1HD LYS 1 1HD LYS 1 15.161 4.704 3.169
10 2HD LYS 1 2HD LYS 1 14.566 3.044 3.091
11 1HE LYS 1 1HE LYS 1 16.536 2.417 1.723
12 2HE LYS 1 2HE LYS 1 17.207 4.035 1.981
13 1HZ LYS 1 2HZ LYS 1 16.533 2.106 4.149
14 2HZ LYS 1 1HZ LYS 1 18.028 2.411 3.627
15 3HZ LYS 1 3HZ LYS 1 17.189 3.587 4.377
16 H TYR 2 H TYR 2 15.891 4.847 -2.523
17 HA TYR 2 HA TYR 2 15.928 3.692 -4.450
18 1HB TYR 2 1HB TYR 2 15.501 1.875 -2.102
19 2HB TYR 2 2HB TYR 2 16.309 1.383 -3.603
20 HD1 TYR 2 HD1 TYR 2 18.163 3.390 -4.310
21 HD2 TYR 2 HD2 TYR 2 16.993 2.136 -0.368
22 HE1 TYR 2 HE1 TYR 2 20.295 4.313 -3.399
23 HE2 TYR 2 HE2 TYR 2 19.130 3.025 0.543
24 HH TYR 2 HH TYR 2 21.064 4.161 0.091
25 H TYR 3 H TYR 3 14.972 0.971 -4.717
26 HA TYR 3 HA TYR 3 12.536 1.552 -6.332
27 1HB TYR 3 1HB TYR 3 13.818 0.500 -8.187
28 2HB TYR 3 2HB TYR 3 14.642 1.920 -7.574
29 HD1 TYR 3 HD1 TYR 3 14.763 -1.779 -7.808
30 HD2 TYR 3 HD2 TYR 3 16.773 1.743 -6.336
31 HE1 TYR 3 HE1 TYR 3 16.807 -3.128 -7.366
32 HE2 TYR 3 HE2 TYR 3 18.821 0.409 -5.954
33 HH TYR 3 HH TYR 3 18.948 -3.102 -6.559
34 H GLY 4 H GLY 4 11.954 -0.654 -7.558
35 1HA GLY 4 2HA GLY 4 12.775 -3.153 -6.559
36 2HA GLY 4 1HA GLY 4 11.390 -2.894 -7.600
37 H ASN 5 H ASN 5 11.672 -4.853 -5.547
38 HA ASN 5 HA ASN 5 9.063 -4.592 -4.353
39 1HB ASN 5 1HB ASN 5 9.980 -6.725 -5.149
40 2HB ASN 5 2HB ASN 5 11.270 -6.673 -3.952
41 1HD2 ASN 5 1HD2 ASN 5 7.664 -6.720 -4.266
42 2HD2 ASN 5 2HD2 ASN 5 7.448 -7.606 -2.771
43 H GLY 6 H GLY 6 12.181 -5.027 -2.641
44 1HA GLY 6 2HA GLY 6 11.968 -5.352 -0.202
45 2HA GLY 6 1HA GLY 6 10.889 -3.974 -0.139
46 H VAL 7 H VAL 7 13.301 -2.971 -2.161
47 HA VAL 7 HA VAL 7 15.501 -2.503 -0.390
48 HB VAL 7 HB VAL 7 14.895 -0.823 -2.862
49 1HG1 VAL 7 3HG1 VAL 7 17.476 -1.942 -1.698
50 2HG1 VAL 7 1HG1 VAL 7 17.325 -0.929 -3.172
51 3HG1 VAL 7 2HG1 VAL 7 16.935 -0.239 -1.604
52 1HG2 VAL 7 2HG2 VAL 7 16.034 -3.649 -2.865
53 2HG2 VAL 7 3HG2 VAL 7 14.509 -3.118 -3.653
54 3HG2 VAL 7 1HG2 VAL 7 16.029 -2.535 -4.249
55 H HIS 8 H HIS 8 12.554 -0.941 -0.632
56 HA HIS 8 HA HIS 8 13.121 1.790 0.031
57 1HB HIS 8 1HB HIS 8 10.518 0.281 0.562
58 2HB HIS 8 2HB HIS 8 10.730 1.994 0.322
59 HD1 HIS 8 HD1 HIS 8 11.584 2.694 -2.281
60 HD2 HIS 8 HD2 HIS 8 10.089 -1.176 -1.573
61 HE1 HIS 8 HE1 HIS 8 10.970 1.748 -4.554
62 HE2 HIS 8 HE2 HIS 8 10.056 -0.637 -4.111
63 H CYS 9 H CYS 9 13.753 -0.653 2.178
64 HA CYS 9 HA CYS 9 12.054 0.376 4.386
65 1HB CYS 9 1HB CYS 9 12.940 -2.445 3.726
66 2HB CYS 9 2HB CYS 9 11.848 -1.948 5.015
67 H GLY 10 H GLY 10 12.578 -0.282 6.435
68 1HA GLY 10 2HA GLY 10 14.419 0.238 8.174
69 2HA GLY 10 1HA GLY 10 15.397 -0.908 7.212
70 H LYS 11 H LYS 11 14.933 -1.339 9.900
71 HA LYS 11 HA LYS 11 14.066 -4.041 10.013
72 1HB LYS 11 1HB LYS 11 14.559 -1.991 12.170
73 2HB LYS 11 2HB LYS 11 14.295 -3.718 12.484
74 1HG LYS 11 1HG LYS 11 16.241 -4.313 11.090
75 2HG LYS 11 2HG LYS 11 16.583 -2.576 10.805
76 1HD LYS 11 1HD LYS 11 16.897 -2.295 13.273
77 2HD LYS 11 2HD LYS 11 16.598 -4.009 13.496
78 1HE LYS 11 1HE LYS 11 18.537 -4.519 11.954
79 2HE LYS 11 2HE LYS 11 18.835 -2.792 11.806
80 1HZ LYS 11 1HZ LYS 11 19.201 -2.734 14.226
81 2HZ LYS 11 3HZ LYS 11 19.014 -4.348 14.334
82 3HZ LYS 11 2HZ LYS 11 20.264 -3.744 13.483
83 H HIS 12 H HIS 12 12.176 -1.196 10.402
84 HA HIS 12 HA HIS 12 9.711 -2.830 10.925
85 1HB HIS 12 1HB HIS 12 10.249 -0.138 12.268
86 2HB HIS 12 2HB HIS 12 8.867 -1.173 12.510
87 HD1 HIS 12 HD1 HIS 12 9.593 -3.724 13.584
88 HD2 HIS 12 HD2 HIS 12 12.245 -0.459 13.956
89 HE1 HIS 12 HE1 HIS 12 11.305 -4.344 15.436
90 HE2 HIS 12 HE2 HIS 12 12.900 -2.386 15.629
91 H SER 13 H SER 13 10.491 0.628 10.272
92 HA SER 13 HA SER 13 8.313 1.207 8.649
93 1HB SER 13 1HB SER 13 11.107 2.414 8.526
94 2HB SER 13 2HB SER 13 9.617 3.138 7.895
95 HG SER 13 HG SER 13 10.184 3.848 10.024
96 H CYS 14 H CYS 14 7.694 0.065 6.845
97 HA CYS 14 HA CYS 14 9.614 -0.109 4.615
98 1HB CYS 14 1HB CYS 14 9.708 -2.190 6.066
99 2HB CYS 14 2HB CYS 14 8.027 -2.485 5.703
100 H THR 15 H THR 15 8.713 -0.533 2.562
101 HA THR 15 HA THR 15 5.857 -0.627 2.076
102 HB THR 15 HB THR 15 6.212 1.770 2.461
103 HG1 THR 15 HG1 THR 15 5.115 2.366 0.589
104 1HG2 THR 15 1HG2 THR 15 7.878 1.707 -0.102
105 2HG2 THR 15 3HG2 THR 15 7.258 3.164 0.723
106 3HG2 THR 15 2HG2 THR 15 8.463 2.156 1.526
107 H VAL 16 H VAL 16 5.662 -0.242 -0.509
108 HA VAL 16 HA VAL 16 7.706 -1.824 -1.889
109 HB VAL 16 HB VAL 16 4.746 -2.490 -1.848
110 1HG1 VAL 16 2HG1 VAL 16 7.018 -3.790 -3.401
111 2HG1 VAL 16 3HG1 VAL 16 5.412 -4.510 -3.187
112 3HG1 VAL 16 1HG1 VAL 16 5.555 -3.020 -4.095
113 1HG2 VAL 16 2HG2 VAL 16 7.117 -4.070 -0.800
114 2HG2 VAL 16 3HG2 VAL 16 5.835 -3.328 0.180
115 3HG2 VAL 16 1HG2 VAL 16 5.432 -4.658 -0.888
116 H ASP 17 H ASP 17 7.470 -1.650 -4.301
117 HA ASP 17 HA ASP 17 6.576 0.978 -5.221
118 1HB ASP 17 1HB ASP 17 8.569 -0.111 -6.141
119 2HB ASP 17 2HB ASP 17 7.567 -1.442 -6.733
120 H TRP 18 H TRP 18 4.420 0.408 -4.214
121 HA TRP 18 HA TRP 18 2.467 -0.710 -6.203
122 1HB TRP 18 1HB TRP 18 1.303 -1.815 -4.457
123 2HB TRP 18 2HB TRP 18 2.972 -2.335 -4.490
124 HD1 TRP 18 HD1 TRP 18 3.079 0.825 -2.676
125 HE1 TRP 18 HE1 TRP 18 3.093 0.502 -0.210
126 HE3 TRP 18 HE3 TRP 18 1.538 -4.081 -2.501
127 HZ2 TRP 18 HZ2 TRP 18 2.352 -1.564 1.724
128 HZ3 TRP 18 HZ3 TRP 18 1.202 -5.176 -0.291
129 HH2 TRP 18 HH2 TRP 18 1.595 -3.916 1.812
130 H GLY 19 H GLY 19 3.186 2.175 -4.956
131 1HA GLY 19 2HA GLY 19 2.036 4.143 -4.412
132 2HA GLY 19 1HA GLY 19 1.177 3.061 -3.306
133 H THR 20 H THR 20 0.906 3.041 -6.865
134 HA THR 20 HA THR 20 -1.624 4.459 -6.913
135 HB THR 20 HB THR 20 -1.654 3.637 -9.351
136 HG1 THR 20 HG1 THR 20 0.321 2.814 -10.078
137 1HG2 THR 20 2HG2 THR 20 -0.724 5.826 -8.636
138 2HG2 THR 20 1HG2 THR 20 0.878 5.080 -8.443
139 3HG2 THR 20 3HG2 THR 20 0.150 5.159 -10.050
140 H ALA 21 H ALA 21 -0.713 1.064 -6.898
141 HA ALA 21 HA ALA 21 -3.408 0.049 -7.285
142 1HB ALA 21 3HB ALA 21 -2.483 -2.061 -6.463
143 2HB ALA 21 2HB ALA 21 -0.989 -1.252 -5.970
144 3HB ALA 21 1HB ALA 21 -1.411 -1.349 -7.694
145 H ILE 22 H ILE 22 -1.428 0.809 -4.416
146 HA ILE 22 HA ILE 22 -3.395 0.225 -2.429
147 HB ILE 22 HB ILE 22 -1.104 2.224 -2.405
148 1HG1 ILE 22 1HG1 ILE 22 -0.288 -0.046 -2.720
149 2HG1 ILE 22 2HG1 ILE 22 0.119 0.562 -1.133
150 1HG2 ILE 22 2HG2 ILE 22 -2.795 1.250 -0.063
151 2HG2 ILE 22 3HG2 ILE 22 -1.221 2.067 0.099
152 3HG2 ILE 22 1HG2 ILE 22 -2.595 2.911 -0.624
153 1HD1 ILE 22 2HD1 ILE 22 -1.676 -0.831 -0.121
154 2HD1 ILE 22 3HD1 ILE 22 -2.102 -1.439 -1.731
155 3HD1 ILE 22 1HD1 ILE 22 -0.497 -1.790 -1.041
156 H GLY 23 H GLY 23 -2.751 3.258 -4.254
157 1HA GLY 23 2HA GLY 23 -4.142 5.056 -4.749
158 2HA GLY 23 1HA GLY 23 -4.749 4.885 -3.096
159 H ASN 24 H ASN 24 -4.997 2.758 -5.955
160 HA ASN 24 HA ASN 24 -7.791 3.145 -6.482
161 1HB ASN 24 1HB ASN 24 -6.193 2.153 -8.121
162 2HB ASN 24 2HB ASN 24 -6.003 0.742 -7.055
163 1HD2 ASN 24 1HD2 ASN 24 -8.422 2.521 -9.056
164 2HD2 ASN 24 2HD2 ASN 24 -9.433 1.083 -9.265
165 H ILE 25 H ILE 25 -6.158 0.731 -4.446
166 HA ILE 25 HA ILE 25 -8.471 -0.660 -3.495
167 HB ILE 25 HB ILE 25 -5.611 -0.344 -2.656
168 1HG1 ILE 25 1HG1 ILE 25 -7.305 -2.827 -2.931
169 2HG1 ILE 25 2HG1 ILE 25 -6.759 -1.993 -4.355
170 1HG2 ILE 25 1HG2 ILE 25 -7.682 -1.555 -0.781
171 2HG2 ILE 25 2HG2 ILE 25 -5.947 -1.796 -0.640
172 3HG2 ILE 25 3HG2 ILE 25 -6.591 -0.170 -0.465
173 1HD1 ILE 25 1HD1 ILE 25 -4.376 -2.257 -3.627
174 2HD1 ILE 25 2HD1 ILE 25 -4.915 -3.221 -2.249
175 3HD1 ILE 25 3HD1 ILE 25 -5.212 -3.803 -3.888
176 H GLY 26 H GLY 26 -6.827 2.232 -2.126
177 1HA GLY 26 2HA GLY 26 -7.643 3.926 -0.789
178 2HA GLY 26 1HA GLY 26 -8.583 2.682 0.047
179 H ASN 27 H ASN 27 -8.792 3.971 -3.306
180 HA ASN 27 HA ASN 27 -11.226 5.388 -2.994
181 1HB ASN 27 1HB ASN 27 -9.620 5.686 -4.841
182 2HB ASN 27 2HB ASN 27 -10.008 4.065 -5.460
183 1HD2 ASN 27 1HD2 ASN 27 -11.537 3.989 -7.044
184 2HD2 ASN 27 2HD2 ASN 27 -12.735 5.237 -7.328
185 H ASN 28 H ASN 28 -10.648 1.943 -3.865
186 HA ASN 28 HA ASN 28 -13.477 1.422 -4.196
187 1HB ASN 28 1HB ASN 28 -11.642 0.106 -5.311
188 2HB ASN 28 2HB ASN 28 -11.154 -0.531 -3.748
189 1HD2 ASN 28 1HD2 ASN 28 -12.396 -2.347 -2.904
190 2HD2 ASN 28 2HD2 ASN 28 -13.746 -2.995 -3.819
191 H ALA 29 H ALA 29 -11.334 1.046 -1.337
192 HA ALA 29 HA ALA 29 -13.371 -0.004 0.449
193 1HB ALA 29 2HB ALA 29 -11.016 1.870 0.910
194 2HB ALA 29 1HB ALA 29 -10.984 0.088 0.993
195 3HB ALA 29 3HB ALA 29 -11.909 1.033 2.183
196 H ALA 30 H ALA 30 -12.623 3.353 -0.584
197 HA ALA 30 HA ALA 30 -14.709 4.563 0.992
198 1HB ALA 30 2HB ALA 30 -12.733 5.815 0.183
199 2HB ALA 30 3HB ALA 30 -13.303 5.618 -1.498
200 3HB ALA 30 1HB ALA 30 -14.246 6.559 -0.335
201 H ALA 31 H ALA 31 -14.780 3.130 -2.272
202 HA ALA 31 HA ALA 31 -17.443 4.261 -2.773
203 1HB ALA 31 3HB ALA 31 -15.628 2.584 -4.525
204 2HB ALA 31 2HB ALA 31 -15.720 4.369 -4.473
205 3HB ALA 31 1HB ALA 31 -17.101 3.388 -5.053
206 H ASN 32 H ASN 32 -16.054 1.091 -2.171
207 HA ASN 32 HA ASN 32 -18.687 -0.308 -2.364
208 1HB ASN 32 1HB ASN 32 -17.202 -0.500 -4.380
209 2HB ASN 32 2HB ASN 32 -15.943 -1.202 -3.381
210 1HD2 ASN 32 1HD2 ASN 32 -19.485 -1.758 -4.178
211 2HD2 ASN 32 2HD2 ASN 32 -19.244 -3.495 -4.226
212 H TRP 33 H TRP 33 -16.101 0.398 -0.307
213 HA TRP 33 HA TRP 33 -15.613 -0.158 1.790
214 1HB TRP 33 1HB TRP 33 -18.268 -0.452 1.715
215 2HB TRP 33 2HB TRP 33 -17.812 -2.088 2.195
216 HD1 TRP 33 HD1 TRP 33 -17.022 -2.363 4.644
217 HE1 TRP 33 HE1 TRP 33 -16.961 -0.811 6.716
218 HE3 TRP 33 HE3 TRP 33 -17.393 2.128 2.282
219 HZ2 TRP 33 HZ2 TRP 33 -17.043 2.036 7.252
220 HZ3 TRP 33 HZ3 TRP 33 -17.252 4.258 3.578
221 HH2 TRP 33 HH2 TRP 33 -17.071 4.210 6.050
222 H ALA 34 H ALA 34 -16.601 -3.210 0.275
223 HA ALA 34 HA ALA 34 -15.756 -5.337 0.457
224 1HB ALA 34 3HB ALA 34 -14.462 -4.223 -1.315
225 2HB ALA 34 1HB ALA 34 -13.211 -3.763 -0.146
226 3HB ALA 34 2HB ALA 34 -13.492 -5.465 -0.534
227 H THR 35 H THR 35 -16.204 -4.526 2.931
228 HA THR 35 HA THR 35 -15.988 -4.802 5.111
229 HB THR 35 HB THR 35 -14.870 -6.653 6.055
230 HG1 THR 35 HG1 THR 35 -13.486 -6.730 3.614
231 1HG2 THR 35 3HG2 THR 35 -16.903 -7.168 4.755
232 2HG2 THR 35 2HG2 THR 35 -15.900 -7.505 3.327
233 3HG2 THR 35 1HG2 THR 35 -15.735 -8.515 4.761
234 H GLY 36 H GLY 36 -13.583 -3.254 3.544
235 1HA GLY 36 2HA GLY 36 -11.488 -2.306 4.183
236 2HA GLY 36 1HA GLY 36 -11.726 -2.859 5.819
237 H GLY 37 H GLY 37 -12.992 -0.618 3.407
238 1HA GLY 37 2HA GLY 37 -14.599 1.021 5.134
239 2HA GLY 37 1HA GLY 37 -14.153 1.411 3.488
240 H ASN 38 H ASN 38 -11.333 1.002 5.194
241 HA ASN 38 HA ASN 38 -11.200 3.789 6.302
242 1HB ASN 38 1HB ASN 38 -11.306 1.971 7.959
243 2HB ASN 38 2HB ASN 38 -9.833 1.274 7.269
244 1HD2 ASN 38 1HD2 ASN 38 -8.493 1.509 9.099
245 2HD2 ASN 38 2HD2 ASN 38 -8.095 3.113 9.710
246 H ALA 39 H ALA 39 -10.621 4.106 3.885
247 HA ALA 39 HA ALA 39 -9.152 4.507 2.187
248 1HB ALA 39 1HB ALA 39 -7.193 5.011 4.443
249 2HB ALA 39 2HB ALA 39 -7.117 5.664 2.789
250 3HB ALA 39 3HB ALA 39 -8.430 6.152 3.875
251 H GLY 40 H GLY 40 -9.336 1.719 3.117
252 1HA GLY 40 2HA GLY 40 -6.797 0.397 2.590
253 2HA GLY 40 1HA GLY 40 -7.948 0.354 1.234
254 H TRP 41 H TRP 41 -7.093 -1.935 2.263
255 HA TRP 41 HA TRP 41 -9.247 -3.005 4.004
256 1HB TRP 41 1HB TRP 41 -9.430 -5.017 2.606
257 2HB TRP 41 2HB TRP 41 -10.084 -3.533 1.931
258 HD1 TRP 41 HD1 TRP 41 -6.386 -3.755 1.364
259 HE1 TRP 41 HE1 TRP 41 -5.840 -4.513 -0.901
260 HE3 TRP 41 HE3 TRP 41 -11.138 -4.745 -0.188
261 HZ2 TRP 41 HZ2 TRP 41 -7.308 -5.412 -3.312
262 HZ3 TRP 41 HZ3 TRP 41 -11.559 -5.286 -2.586
263 HH2 TRP 41 HH2 TRP 41 -9.662 -5.686 -4.141
264 H ASN 42 H ASN 42 -6.849 -5.124 2.618
265 HA ASN 42 HA ASN 42 -5.103 -5.093 5.001
266 1HB ASN 42 1HB ASN 42 -3.474 -6.270 3.598
267 2HB ASN 42 2HB ASN 42 -5.042 -7.059 3.521
268 1HD2 ASN 42 1HD2 ASN 42 -2.857 -4.808 1.658
269 2HD2 ASN 42 2HD2 ASN 42 -3.506 -5.281 0.110
270 H LYS 43 H LYS 43 -2.963 -4.121 4.923
271 HA LYS 43 HA LYS 43 -2.162 -2.046 3.098
272 1HB LYS 43 1HB LYS 43 -2.375 -0.282 5.050
273 2HB LYS 43 2HB LYS 43 -3.662 -0.481 3.877
274 1HG LYS 43 1HG LYS 43 -5.051 -1.707 5.427
275 2HG LYS 43 2HG LYS 43 -3.721 -1.976 6.521
276 1HD LYS 43 1HD LYS 43 -5.008 -0.281 7.532
277 2HD LYS 43 2HD LYS 43 -3.608 0.562 6.867
278 1HE LYS 43 1HE LYS 43 -4.988 1.186 4.861
279 2HE LYS 43 2HE LYS 43 -6.386 0.383 5.572
280 1HZ LYS 43 1HZ LYS 43 -6.158 1.924 7.487
281 2HZ LYS 43 3HZ LYS 43 -4.996 2.768 6.688
282 3HZ LYS 43 2HZ LYS 43 -6.530 2.657 6.107
No H/Q in entry = 282
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