Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
3598 | 1dx7 RC | 4303 | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 -1.121 -12.144 30.111
2 H2 ALA 1 H2 ALA 1 -0.793 -11.809 31.741
3 H3 ALA 1 H3 ALA 1 -1.559 -13.263 31.311
4 HA ALA 1 HA ALA 1 -3.577 -12.310 31.014
5 1HB ALA 1 1HB ALA 1 -2.339 -11.620 33.313
6 2HB ALA 1 2HB ALA 1 -3.992 -11.132 32.938
7 3HB ALA 1 3HB ALA 1 -2.659 -10.012 32.663
8 H ASP 2 H ASP 2 -4.479 -11.241 29.327
9 HA ASP 2 HA ASP 2 -3.866 -8.437 28.819
10 1HB ASP 2 1HB ASP 2 -3.110 -8.819 26.464
11 2HB ASP 2 2HB ASP 2 -1.962 -9.422 27.659
12 H LYS 3 H LYS 3 -5.046 -7.855 26.583
13 HA LYS 3 HA LYS 3 -7.793 -8.867 26.887
14 1HB LYS 3 1HB LYS 3 -6.471 -6.600 25.481
15 2HB LYS 3 2HB LYS 3 -7.955 -7.222 24.757
16 1HG LYS 3 1HG LYS 3 -8.662 -5.529 26.276
17 2HG LYS 3 2HG LYS 3 -8.987 -7.056 27.097
18 1HD LYS 3 1HD LYS 3 -7.332 -6.730 28.654
19 2HD LYS 3 2HD LYS 3 -6.293 -5.866 27.520
20 1HE LYS 3 1HE LYS 3 -7.841 -3.911 27.653
21 2HE LYS 3 2HE LYS 3 -7.105 -4.303 29.207
22 1HZ LYS 3 1HZ LYS 3 -9.760 -5.319 28.368
23 2HZ LYS 3 2HZ LYS 3 -9.068 -5.376 29.918
24 3HZ LYS 3 3HZ LYS 3 -9.556 -3.889 29.256
25 H SER 4 H SER 4 -6.737 -8.146 23.642
26 HA SER 4 HA SER 4 -6.892 -9.666 21.773
27 1HB SER 4 1HB SER 4 -5.524 -11.494 22.008
28 2HB SER 4 2HB SER 4 -5.031 -10.641 23.463
29 HG SER 4 HG SER 4 -5.660 -12.862 23.802
30 H ASP 5 H ASP 5 -9.027 -9.158 23.848
31 HA ASP 5 HA ASP 5 -10.831 -10.421 24.755
32 1HB ASP 5 1HB ASP 5 -11.351 -8.945 22.619
33 2HB ASP 5 2HB ASP 5 -11.863 -10.523 22.023
34 H LEU 6 H LEU 6 -8.912 -12.235 24.557
35 HA LEU 6 HA LEU 6 -8.414 -14.440 23.627
36 1HB LEU 6 1HB LEU 6 -10.094 -14.231 25.881
37 2HB LEU 6 2HB LEU 6 -10.570 -15.656 24.956
38 HG LEU 6 HG LEU 6 -8.009 -15.975 24.680
39 1HD1 LEU 6 1HD1 LEU 6 -7.525 -13.785 25.767
40 2HD1 LEU 6 2HD1 LEU 6 -8.116 -14.447 27.294
41 3HD1 LEU 6 3HD1 LEU 6 -6.682 -15.136 26.530
42 1HD2 LEU 6 1HD2 LEU 6 -9.751 -17.364 26.042
43 2HD2 LEU 6 2HD2 LEU 6 -8.044 -17.568 26.437
44 3HD2 LEU 6 3HD2 LEU 6 -9.070 -16.555 27.453
45 H GLY 7 H GLY 7 -9.459 -13.328 21.807
46 1HA GLY 7 1HA GLY 7 -10.535 -15.182 19.999
47 2HA GLY 7 2HA GLY 7 -11.938 -14.335 20.679
48 H TYR 8 H TYR 8 -10.926 -11.841 21.128
49 HA TYR 8 HA TYR 8 -10.929 -10.617 18.585
50 1HB TYR 8 1HB TYR 8 -11.581 -9.211 20.349
51 2HB TYR 8 2HB TYR 8 -10.276 -9.799 21.375
52 HD1 TYR 8 HD1 TYR 8 -10.883 -7.737 18.279
53 HD2 TYR 8 HD2 TYR 8 -8.347 -8.736 21.584
54 HE1 TYR 8 HE1 TYR 8 -9.426 -5.800 17.731
55 HE2 TYR 8 HE2 TYR 8 -6.868 -6.795 21.044
56 HH TYR 8 HH TYR 8 -6.422 -5.439 18.679
57 H THR 9 H THR 9 -8.636 -12.058 20.682
58 HA THR 9 HA THR 9 -6.143 -11.067 19.912
59 HB THR 9 HB THR 9 -6.699 -14.049 19.915
60 HG1 THR 9 HG1 THR 9 -7.700 -13.261 21.654
61 1HG2 THR 9 1HG2 THR 9 -4.349 -12.334 20.002
62 2HG2 THR 9 2HG2 THR 9 -4.411 -13.425 21.386
63 3HG2 THR 9 3HG2 THR 9 -4.450 -14.076 19.747
64 H GLY 10 H GLY 10 -7.941 -13.615 18.164
65 1HA GLY 10 1HA GLY 10 -6.159 -13.604 15.883
66 2HA GLY 10 2HA GLY 10 -7.743 -14.375 15.939
67 H LEU 11 H LEU 11 -9.657 -12.848 15.676
68 HA LEU 11 HA LEU 11 -9.691 -11.475 13.330
69 1HB LEU 11 1HB LEU 11 -11.535 -11.820 15.280
70 2HB LEU 11 2HB LEU 11 -11.768 -10.733 13.916
71 HG LEU 11 HG LEU 11 -10.308 -9.572 16.213
72 1HD1 LEU 11 1HD1 LEU 11 -11.390 -8.594 13.948
73 2HD1 LEU 11 2HD1 LEU 11 -12.770 -8.396 15.029
74 3HD1 LEU 11 3HD1 LEU 11 -11.230 -7.633 15.419
75 1HD2 LEU 11 1HD2 LEU 11 -12.207 -11.075 17.153
76 2HD2 LEU 11 2HD2 LEU 11 -12.180 -9.385 17.662
77 3HD2 LEU 11 3HD2 LEU 11 -13.305 -9.912 16.411
78 H THR 12 H THR 12 -8.273 -10.315 16.284
79 HA THR 12 HA THR 12 -7.973 -7.623 15.729
80 HB THR 12 HB THR 12 -6.050 -9.553 17.007
81 HG1 THR 12 HG1 THR 12 -8.185 -8.311 17.748
82 1HG2 THR 12 1HG2 THR 12 -4.807 -7.657 15.960
83 2HG2 THR 12 2HG2 THR 12 -5.809 -6.535 16.880
84 3HG2 THR 12 3HG2 THR 12 -4.719 -7.636 17.721
85 H ASP 13 H ASP 13 -5.531 -9.978 15.194
86 HA ASP 13 HA ASP 13 -3.812 -8.792 13.510
87 1HB ASP 13 1HB ASP 13 -4.635 -11.512 13.880
88 2HB ASP 13 2HB ASP 13 -4.374 -11.227 12.157
89 H GLU 14 H GLU 14 -7.087 -9.640 12.630
90 HA GLU 14 HA GLU 14 -6.564 -8.763 9.887
91 1HB GLU 14 1HB GLU 14 -8.441 -10.421 10.886
92 2HB GLU 14 2HB GLU 14 -9.345 -8.906 10.875
93 1HG GLU 14 1HG GLU 14 -9.693 -9.175 8.670
94 2HG GLU 14 2HG GLU 14 -7.955 -8.998 8.422
95 H GLN 15 H GLN 15 -8.484 -7.533 12.664
96 HA GLN 15 HA GLN 15 -9.132 -5.026 11.442
97 1HB GLN 15 1HB GLN 15 -9.873 -4.342 13.570
98 2HB GLN 15 2HB GLN 15 -8.752 -5.432 14.380
99 1HG GLN 15 1HG GLN 15 -11.211 -6.153 14.339
100 2HG GLN 15 2HG GLN 15 -10.021 -7.345 13.818
101 2HE2 GLN 15 2HE2 GLN 15 -11.994 -4.687 12.348
102 1HE2 GLN 15 1HE2 GLN 15 -12.352 -5.544 10.927
103 H ALA 16 H ALA 16 -6.734 -6.023 13.739
104 HA ALA 16 HA ALA 16 -5.276 -3.681 14.069
105 1HB ALA 16 1HB ALA 16 -4.090 -5.209 15.255
106 2HB ALA 16 2HB ALA 16 -3.382 -5.752 13.732
107 3HB ALA 16 3HB ALA 16 -4.841 -6.532 14.354
108 H GLN 17 H GLN 17 -5.663 -5.792 11.309
109 HA GLN 17 HA GLN 17 -3.476 -4.470 9.826
110 1HB GLN 17 1HB GLN 17 -4.793 -6.942 9.658
111 2HB GLN 17 2HB GLN 17 -3.510 -6.344 8.620
112 1HG GLN 17 1HG GLN 17 -6.495 -6.173 8.169
113 2HG GLN 17 2HG GLN 17 -5.350 -5.197 7.253
114 2HE2 GLN 17 2HE2 GLN 17 -5.825 -6.354 5.244
115 1HE2 GLN 17 1HE2 GLN 17 -5.290 -7.946 4.999
116 H GLU 18 H GLU 18 -6.959 -4.386 10.080
117 HA GLU 18 HA GLU 18 -7.741 -2.973 7.816
118 1HB GLU 18 1HB GLU 18 -8.755 -3.327 10.491
119 2HB GLU 18 2HB GLU 18 -8.951 -1.638 10.019
120 1HG GLU 18 1HG GLU 18 -10.009 -2.398 7.888
121 2HG GLU 18 2HG GLU 18 -10.918 -2.898 9.315
122 H LEU 19 H LEU 19 -5.660 -2.021 10.406
123 HA LEU 19 HA LEU 19 -5.496 0.729 9.291
124 1HB LEU 19 1HB LEU 19 -4.755 1.462 11.414
125 2HB LEU 19 2HB LEU 19 -6.093 0.376 11.763
126 HG LEU 19 HG LEU 19 -3.956 -1.345 11.710
127 1HD1 LEU 19 1HD1 LEU 19 -2.902 1.309 11.993
128 2HD1 LEU 19 2HD1 LEU 19 -2.680 0.450 13.519
129 3HD1 LEU 19 3HD1 LEU 19 -2.030 -0.224 12.025
130 1HD2 LEU 19 1HD2 LEU 19 -5.262 0.190 13.966
131 2HD2 LEU 19 2HD2 LEU 19 -5.601 -1.458 13.434
132 3HD2 LEU 19 3HD2 LEU 19 -4.088 -1.092 14.265
133 H HIS 20 H HIS 20 -3.740 -2.197 10.063
134 HA HIS 20 HA HIS 20 -1.150 -0.977 9.474
135 1HB HIS 20 1HB HIS 20 -2.091 -3.357 10.772
136 2HB HIS 20 2HB HIS 20 -0.908 -3.764 9.538
137 HD1 HIS 20 HD1 HIS 20 1.520 -2.992 9.901
138 HD2 HIS 20 HD2 HIS 20 -1.106 -1.630 12.835
139 HE1 HIS 20 HE1 HIS 20 2.957 -2.013 11.746
140 H SER 21 H SER 21 -2.389 -4.085 8.236
141 HA SER 21 HA SER 21 -0.997 -4.362 5.958
142 1HB SER 21 1HB SER 21 -3.982 -4.698 6.125
143 2HB SER 21 2HB SER 21 -2.992 -5.315 4.816
144 HG SER 21 HG SER 21 -2.158 -5.950 7.388
145 H VAL 22 H VAL 22 -4.134 -2.939 5.767
146 HA VAL 22 HA VAL 22 -4.147 -1.779 3.347
147 HB VAL 22 HB VAL 22 -6.085 -1.384 4.560
148 1HG1 VAL 22 1HG1 VAL 22 -4.207 -1.346 6.775
149 2HG1 VAL 22 2HG1 VAL 22 -5.406 -0.061 6.952
150 3HG1 VAL 22 3HG1 VAL 22 -5.928 -1.740 6.782
151 1HG2 VAL 22 1HG2 VAL 22 -4.539 1.197 4.948
152 2HG2 VAL 22 2HG2 VAL 22 -5.506 0.769 3.538
153 3HG2 VAL 22 3HG2 VAL 22 -6.289 1.040 5.095
154 H TYR 23 H TYR 23 -2.755 -0.319 6.262
155 HA TYR 23 HA TYR 23 -1.717 2.077 5.267
156 1HB TYR 23 1HB TYR 23 -1.500 0.647 7.621
157 2HB TYR 23 2HB TYR 23 0.152 0.644 7.021
158 HD1 TYR 23 HD1 TYR 23 0.594 3.118 5.741
159 HD2 TYR 23 HD2 TYR 23 -1.822 2.326 9.199
160 HE1 TYR 23 HE1 TYR 23 0.874 5.474 6.482
161 HE2 TYR 23 HE2 TYR 23 -1.544 4.666 9.946
162 HH TYR 23 HH TYR 23 0.714 6.618 9.062
163 H MET 24 H MET 24 0.306 -0.830 5.753
164 HA MET 24 HA MET 24 2.408 0.088 4.076
165 1HB MET 24 1HB MET 24 1.840 -2.221 5.643
166 2HB MET 24 2HB MET 24 2.318 -2.779 4.038
167 1HG MET 24 1HG MET 24 4.353 -1.422 4.140
168 2HG MET 24 2HG MET 24 3.865 -0.775 5.706
169 1HE MET 24 1HE MET 24 6.234 -2.222 4.357
170 2HE MET 24 2HE MET 24 6.890 -3.482 5.399
171 3HE MET 24 3HE MET 24 5.855 -3.922 4.043
172 H SER 25 H SER 25 -0.681 -0.970 3.166
173 HA SER 25 HA SER 25 0.113 -2.180 0.620
174 1HB SER 25 1HB SER 25 -2.128 -2.413 2.131
175 2HB SER 25 2HB SER 25 -2.662 -1.187 0.984
176 HG SER 25 HG SER 25 -3.062 -3.213 0.120
177 H GLY 26 H GLY 26 -2.053 0.602 1.234
178 1HA GLY 26 1HA GLY 26 -1.689 1.799 -1.304
179 2HA GLY 26 2HA GLY 26 -2.187 2.676 0.144
180 H LEU 27 H LEU 27 0.253 1.815 1.555
181 HA LEU 27 HA LEU 27 1.896 4.063 1.169
182 1HB LEU 27 1HB LEU 27 1.953 1.555 2.629
183 2HB LEU 27 2HB LEU 27 3.570 2.025 2.098
184 HG LEU 27 HG LEU 27 3.423 4.138 3.213
185 1HD1 LEU 27 1HD1 LEU 27 0.487 3.454 3.457
186 2HD1 LEU 27 2HD1 LEU 27 1.240 4.700 4.452
187 3HD1 LEU 27 3HD1 LEU 27 1.216 4.868 2.697
188 1HD2 LEU 27 1HD2 LEU 27 2.180 1.961 4.927
189 2HD2 LEU 27 2HD2 LEU 27 3.902 2.290 4.733
190 3HD2 LEU 27 3HD2 LEU 27 2.870 3.455 5.561
191 H TRP 28 H TRP 28 2.692 0.711 0.166
192 HA TRP 28 HA TRP 28 4.790 1.622 -1.582
193 1HB TRP 28 1HB TRP 28 4.461 -0.684 -0.361
194 2HB TRP 28 2HB TRP 28 3.580 -1.100 -1.833
195 HD1 TRP 28 HD1 TRP 28 6.625 1.150 -1.556
196 HE1 TRP 28 HE1 TRP 28 8.545 0.165 -2.983
197 HE3 TRP 28 HE3 TRP 28 4.456 -3.220 -3.005
198 HZ2 TRP 28 HZ2 TRP 28 9.071 -2.185 -4.536
199 HZ3 TRP 28 HZ3 TRP 28 5.677 -4.817 -4.455
200 HH2 TRP 28 HH2 TRP 28 7.979 -4.306 -5.222
201 H LEU 29 H LEU 29 1.594 1.976 -1.964
202 HA LEU 29 HA LEU 29 1.466 1.140 -4.780
203 1HB LEU 29 1HB LEU 29 -0.614 0.746 -3.884
204 2HB LEU 29 2HB LEU 29 -0.433 1.994 -2.659
205 HG LEU 29 HG LEU 29 -0.656 3.647 -4.672
206 1HD1 LEU 29 1HD1 LEU 29 -0.531 1.616 -6.275
207 2HD1 LEU 29 2HD1 LEU 29 -2.207 1.325 -5.807
208 3HD1 LEU 29 3HD1 LEU 29 -1.762 2.839 -6.596
209 1HD2 LEU 29 1HD2 LEU 29 -2.306 2.854 -2.739
210 2HD2 LEU 29 2HD2 LEU 29 -2.853 3.923 -4.033
211 3HD2 LEU 29 3HD2 LEU 29 -3.200 2.195 -4.112
212 H PHE 30 H PHE 30 0.863 4.193 -2.989
213 HA PHE 30 HA PHE 30 1.217 5.754 -5.340
214 1HB PHE 30 1HB PHE 30 0.548 6.217 -2.542
215 2HB PHE 30 2HB PHE 30 1.565 7.491 -3.218
216 HD1 PHE 30 HD1 PHE 30 -0.776 5.435 -5.213
217 HD2 PHE 30 HD2 PHE 30 -0.118 9.224 -3.300
218 HE1 PHE 30 HE1 PHE 30 -2.738 6.376 -6.403
219 HE2 PHE 30 HE2 PHE 30 -2.080 10.165 -4.490
220 HZ PHE 30 HZ PHE 30 -3.390 8.741 -6.042
221 H SER 31 H SER 31 3.381 4.145 -3.462
222 HA SER 31 HA SER 31 5.549 6.147 -3.787
223 1HB SER 31 1HB SER 31 5.855 5.233 -1.681
224 2HB SER 31 2HB SER 31 5.168 3.678 -2.141
225 HG SER 31 HG SER 31 7.690 4.718 -2.944
226 H ALA 32 H ALA 32 4.167 3.516 -5.383
227 HA ALA 32 HA ALA 32 6.684 2.980 -6.919
228 1HB ALA 32 1HB ALA 32 4.126 1.354 -6.630
229 2HB ALA 32 2HB ALA 32 5.704 0.948 -5.951
230 3HB ALA 32 3HB ALA 32 5.464 0.927 -7.699
231 H VAL 33 H VAL 33 3.140 3.312 -7.354
232 HA VAL 33 HA VAL 33 3.105 3.752 -10.129
233 HB VAL 33 HB VAL 33 1.528 5.218 -8.048
234 1HG1 VAL 33 1HG1 VAL 33 1.671 5.824 -10.649
235 2HG1 VAL 33 2HG1 VAL 33 0.455 4.544 -10.743
236 3HG1 VAL 33 3HG1 VAL 33 0.161 5.968 -9.743
237 1HG2 VAL 33 1HG2 VAL 33 1.524 2.435 -8.826
238 2HG2 VAL 33 2HG2 VAL 33 0.580 3.229 -7.564
239 3HG2 VAL 33 3HG2 VAL 33 -0.028 3.175 -9.219
240 H ALA 34 H ALA 34 3.570 6.075 -7.455
241 HA ALA 34 HA ALA 34 3.800 8.438 -8.958
242 1HB ALA 34 1HB ALA 34 5.059 7.446 -6.435
243 2HB ALA 34 2HB ALA 34 5.757 8.874 -7.210
244 3HB ALA 34 3HB ALA 34 4.065 8.885 -6.700
245 H ILE 35 H ILE 35 6.420 6.301 -7.915
246 HA ILE 35 HA ILE 35 8.567 7.285 -9.293
247 HB ILE 35 HB ILE 35 8.111 4.364 -9.594
248 1HG1 ILE 35 1HG1 ILE 35 8.194 5.796 -6.950
249 2HG1 ILE 35 2HG1 ILE 35 7.042 4.586 -7.523
250 1HG2 ILE 35 1HG2 ILE 35 10.175 6.051 -9.834
251 2HG2 ILE 35 2HG2 ILE 35 10.353 5.610 -8.137
252 3HG2 ILE 35 3HG2 ILE 35 10.381 4.355 -9.379
253 1HD1 ILE 35 1HD1 ILE 35 9.245 3.111 -7.754
254 2HD1 ILE 35 2HD1 ILE 35 9.833 4.215 -6.510
255 3HD1 ILE 35 3HD1 ILE 35 8.397 3.236 -6.213
256 H VAL 36 H VAL 36 5.817 5.509 -10.522
257 HA VAL 36 HA VAL 36 6.911 5.202 -13.183
258 HB VAL 36 HB VAL 36 3.982 5.265 -12.437
259 1HG1 VAL 36 1HG1 VAL 36 5.452 4.754 -14.822
260 2HG1 VAL 36 2HG1 VAL 36 4.798 3.210 -14.272
261 3HG1 VAL 36 3HG1 VAL 36 3.716 4.572 -14.562
262 1HG2 VAL 36 1HG2 VAL 36 5.667 3.787 -10.983
263 2HG2 VAL 36 2HG2 VAL 36 4.126 3.120 -11.534
264 3HG2 VAL 36 3HG2 VAL 36 5.609 2.741 -12.406
265 H ALA 37 H ALA 37 4.562 7.441 -11.719
266 HA ALA 37 HA ALA 37 4.027 9.078 -13.850
267 1HB ALA 37 1HB ALA 37 4.678 10.281 -11.174
268 2HB ALA 37 2HB ALA 37 3.274 9.223 -11.346
269 3HB ALA 37 3HB ALA 37 3.383 10.711 -12.291
270 H HIS 38 H HIS 38 6.984 8.796 -11.922
271 HA HIS 38 HA HIS 38 8.195 11.138 -13.171
272 1HB HIS 38 1HB HIS 38 9.360 8.899 -11.496
273 2HB HIS 38 2HB HIS 38 10.287 10.292 -12.056
274 HD1 HIS 38 HD1 HIS 38 10.281 10.322 -9.172
275 HD2 HIS 38 HD2 HIS 38 6.953 11.738 -11.245
276 HE1 HIS 38 HE1 HIS 38 9.017 11.817 -7.564
277 H LEU 39 H LEU 39 8.404 7.624 -13.592
278 HA LEU 39 HA LEU 39 10.249 7.943 -15.849
279 1HB LEU 39 1HB LEU 39 10.458 5.581 -15.830
280 2HB LEU 39 2HB LEU 39 8.916 5.373 -15.001
281 HG LEU 39 HG LEU 39 10.002 6.683 -13.060
282 1HD1 LEU 39 1HD1 LEU 39 10.494 3.881 -13.935
283 2HD1 LEU 39 2HD1 LEU 39 11.463 4.468 -12.583
284 3HD1 LEU 39 3HD1 LEU 39 9.702 4.482 -12.478
285 1HD2 LEU 39 1HD2 LEU 39 11.942 7.457 -14.456
286 2HD2 LEU 39 2HD2 LEU 39 12.435 6.635 -12.976
287 3HD2 LEU 39 3HD2 LEU 39 12.507 5.787 -14.520
288 H ALA 40 H ALA 40 7.209 6.115 -15.467
289 HA ALA 40 HA ALA 40 6.384 5.720 -18.008
290 1HB ALA 40 1HB ALA 40 4.744 5.097 -16.518
291 2HB ALA 40 2HB ALA 40 4.877 6.590 -15.586
292 3HB ALA 40 3HB ALA 40 4.023 6.586 -17.130
293 H VAL 41 H VAL 41 6.474 8.904 -16.438
294 HA VAL 41 HA VAL 41 5.153 10.243 -18.643
295 HB VAL 41 HB VAL 41 6.792 11.250 -16.309
296 1HG1 VAL 41 1HG1 VAL 41 6.138 12.581 -18.773
297 2HG1 VAL 41 2HG1 VAL 41 5.216 13.316 -17.462
298 3HG1 VAL 41 3HG1 VAL 41 6.975 13.231 -17.364
299 1HG2 VAL 41 1HG2 VAL 41 4.417 10.225 -16.079
300 2HG2 VAL 41 2HG2 VAL 41 4.704 11.804 -15.345
301 3HG2 VAL 41 3HG2 VAL 41 3.863 11.690 -16.890
302 H TYR 42 H TYR 42 8.547 10.081 -17.531
303 HA TYR 42 HA TYR 42 9.461 11.303 -20.029
304 1HB TYR 42 1HB TYR 42 11.092 10.099 -17.778
305 2HB TYR 42 2HB TYR 42 11.682 11.174 -19.046
306 HD1 TYR 42 HD1 TYR 42 9.345 13.076 -19.168
307 HD2 TYR 42 HD2 TYR 42 11.486 11.421 -15.832
308 HE1 TYR 42 HE1 TYR 42 8.723 15.044 -17.792
309 HE2 TYR 42 HE2 TYR 42 10.864 13.389 -14.457
310 HH TYR 42 HH TYR 42 9.710 15.280 -14.373
311 H ILE 43 H ILE 43 8.214 8.443 -19.562
312 HA ILE 43 HA ILE 43 10.346 6.891 -20.952
313 HB ILE 43 HB ILE 43 7.952 6.092 -19.289
314 1HG1 ILE 43 1HG1 ILE 43 10.914 5.438 -19.169
315 2HG1 ILE 43 2HG1 ILE 43 10.060 6.564 -18.112
316 1HG2 ILE 43 1HG2 ILE 43 8.046 4.700 -21.371
317 2HG2 ILE 43 2HG2 ILE 43 9.694 4.239 -20.942
318 3HG2 ILE 43 3HG2 ILE 43 8.348 3.773 -19.901
319 1HD1 ILE 43 1HD1 ILE 43 9.009 3.773 -18.333
320 2HD1 ILE 43 2HD1 ILE 43 10.467 4.038 -17.377
321 3HD1 ILE 43 3HD1 ILE 43 8.974 4.878 -16.959
322 H TRP 44 H TRP 44 7.136 8.220 -21.275
323 HA TRP 44 HA TRP 44 6.541 6.644 -23.678
324 1HB TRP 44 1HB TRP 44 5.109 8.650 -22.012
325 2HB TRP 44 2HB TRP 44 4.650 8.563 -23.713
326 HD1 TRP 44 HD1 TRP 44 5.033 6.254 -20.644
327 HE1 TRP 44 HE1 TRP 44 3.371 4.300 -20.894
328 HE3 TRP 44 HE3 TRP 44 3.139 7.290 -25.274
329 HZ2 TRP 44 HZ2 TRP 44 1.487 3.307 -22.803
330 HZ3 TRP 44 HZ3 TRP 44 1.414 5.825 -26.282
331 HH2 TRP 44 HH2 TRP 44 0.586 3.836 -25.054
332 H ARG 45 H ARG 45 8.680 8.985 -23.174
333 HA ARG 45 HA ARG 45 8.031 10.721 -25.435
334 1HB ARG 45 1HB ARG 45 9.844 10.806 -23.195
335 2HB ARG 45 2HB ARG 45 10.709 11.145 -24.695
336 1HG ARG 45 1HG ARG 45 8.349 12.576 -24.987
337 2HG ARG 45 2HG ARG 45 9.908 13.251 -24.512
338 1HD ARG 45 1HD ARG 45 8.589 12.002 -22.248
339 2HD ARG 45 2HD ARG 45 9.163 13.660 -22.422
340 HE ARG 45 HE ARG 45 6.836 13.651 -23.898
341 1HH1 ARG 45 1HH1 ARG 45 5.261 11.823 -22.629
342 2HH1 ARG 45 2HH1 ARG 45 4.785 12.508 -21.111
343 1HH2 ARG 45 1HH2 ARG 45 7.286 14.910 -21.109
344 2HH2 ARG 45 2HH2 ARG 45 5.932 14.256 -20.250
345 1HB PRO 46 1HB PRO 46 12.813 6.332 -25.860
346 2HB PRO 46 2HB PRO 46 13.349 8.016 -25.729
347 1HG PRO 46 1HG PRO 46 12.731 7.841 -23.514
348 2HG PRO 46 2HG PRO 46 11.722 6.417 -23.819
349 1HD PRO 46 1HD PRO 46 9.890 7.792 -23.759
350 2HD PRO 46 2HD PRO 46 10.916 9.235 -23.668
351 H TRP 47 H TRP 47 11.469 6.693 -28.828
352 HA TRP 47 HA TRP 47 9.908 4.305 -28.073
353 1HB TRP 47 1HB TRP 47 8.870 6.521 -29.762
354 2HB TRP 47 2HB TRP 47 8.586 4.886 -30.360
355 HD1 TRP 47 HD1 TRP 47 8.066 6.967 -27.148
356 HE1 TRP 47 HE1 TRP 47 5.987 6.056 -25.927
357 HE3 TRP 47 HE3 TRP 47 6.944 2.999 -30.160
358 HZ2 TRP 47 HZ2 TRP 47 4.097 3.925 -26.193
359 HZ3 TRP 47 HZ3 TRP 47 5.001 1.547 -29.654
360 HH2 TRP 47 HH2 TRP 47 3.577 2.004 -27.676
361 H PHE 48 H PHE 48 11.298 6.116 -30.828
362 HA PHE 48 HA PHE 48 12.552 5.343 -32.658
363 1HB PHE 48 1HB PHE 48 13.772 4.527 -30.304
364 2HB PHE 48 2HB PHE 48 13.684 3.038 -31.247
365 HD1 PHE 48 HD1 PHE 48 14.213 3.461 -33.884
366 HD2 PHE 48 HD2 PHE 48 15.681 5.817 -30.606
367 HE1 PHE 48 HE1 PHE 48 16.103 4.239 -35.289
368 HE2 PHE 48 HE2 PHE 48 17.571 6.594 -32.011
369 HZ PHE 48 HZ PHE 48 17.782 5.805 -34.353
No H/Q in entry = 369
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 -26.327 17.491 16.499
2 H2 ALA 1 H2 ALA 1 -25.391 18.799 15.951
3 H3 ALA 1 H3 ALA 1 -26.988 18.606 15.405
4 HA ALA 1 HA ALA 1 -26.166 17.551 13.650
5 1HB ALA 1 1HB ALA 1 -23.620 17.418 15.288
6 2HB ALA 1 2HB ALA 1 -23.984 18.528 13.966
7 3HB ALA 1 3HB ALA 1 -23.744 16.812 13.637
8 H ASP 2 H ASP 2 -27.837 16.033 14.850
9 HA ASP 2 HA ASP 2 -26.502 13.375 15.111
10 1HB ASP 2 1HB ASP 2 -27.977 14.812 17.144
11 2HB ASP 2 2HB ASP 2 -28.806 13.309 16.739
12 H LYS 3 H LYS 3 -28.468 15.145 13.264
13 HA LYS 3 HA LYS 3 -30.346 12.878 12.736
14 1HB LYS 3 1HB LYS 3 -30.769 15.732 12.989
15 2HB LYS 3 2HB LYS 3 -31.268 15.177 11.390
16 1HG LYS 3 1HG LYS 3 -32.664 13.433 12.404
17 2HG LYS 3 2HG LYS 3 -32.133 13.924 14.013
18 1HD LYS 3 1HD LYS 3 -33.438 15.886 12.129
19 2HD LYS 3 2HD LYS 3 -34.399 14.846 13.181
20 1HE LYS 3 1HE LYS 3 -32.353 15.920 14.807
21 2HE LYS 3 2HE LYS 3 -32.972 17.264 13.848
22 1HZ LYS 3 1HZ LYS 3 -35.228 15.995 14.550
23 2HZ LYS 3 2HZ LYS 3 -34.264 15.728 15.924
24 3HZ LYS 3 3HZ LYS 3 -34.571 17.313 15.392
25 H SER 4 H SER 4 -27.742 14.724 11.513
26 HA SER 4 HA SER 4 -28.352 14.094 8.692
27 1HB SER 4 1HB SER 4 -25.788 15.299 9.734
28 2HB SER 4 2HB SER 4 -26.506 15.471 8.134
29 HG SER 4 HG SER 4 -27.462 17.164 8.910
30 H ASP 5 H ASP 5 -26.471 12.860 11.346
31 HA ASP 5 HA ASP 5 -24.553 11.353 9.835
32 1HB ASP 5 1HB ASP 5 -24.379 11.803 12.289
33 2HB ASP 5 2HB ASP 5 -24.199 10.093 11.894
34 H LEU 6 H LEU 6 -27.890 10.735 10.773
35 HA LEU 6 HA LEU 6 -27.894 7.923 10.151
36 1HB LEU 6 1HB LEU 6 -30.295 8.083 10.261
37 2HB LEU 6 2HB LEU 6 -30.239 9.833 10.009
38 HG LEU 6 HG LEU 6 -28.587 9.620 12.106
39 1HD1 LEU 6 1HD1 LEU 6 -30.856 10.884 11.717
40 2HD1 LEU 6 2HD1 LEU 6 -31.545 9.559 12.656
41 3HD1 LEU 6 3HD1 LEU 6 -30.309 10.596 13.369
42 1HD2 LEU 6 1HD2 LEU 6 -29.053 7.111 12.110
43 2HD2 LEU 6 2HD2 LEU 6 -29.282 7.934 13.653
44 3HD2 LEU 6 3HD2 LEU 6 -30.680 7.509 12.665
45 H GLY 7 H GLY 7 -28.662 10.847 8.339
46 1HA GLY 7 1HA GLY 7 -29.646 9.687 5.957
47 2HA GLY 7 2HA GLY 7 -28.771 11.219 6.015
48 H TYR 8 H TYR 8 -26.360 9.929 7.160
49 HA TYR 8 HA TYR 8 -25.303 8.879 4.667
50 1HB TYR 8 1HB TYR 8 -23.914 9.846 7.150
51 2HB TYR 8 2HB TYR 8 -23.087 9.216 5.724
52 HD1 TYR 8 HD1 TYR 8 -25.877 11.567 6.461
53 HD2 TYR 8 HD2 TYR 8 -22.292 10.803 4.256
54 HE1 TYR 8 HE1 TYR 8 -26.065 13.810 5.390
55 HE2 TYR 8 HE2 TYR 8 -22.456 13.031 3.183
56 HH TYR 8 HH TYR 8 -23.949 15.452 4.194
57 H THR 9 H THR 9 -24.280 8.228 7.935
58 HA THR 9 HA THR 9 -23.651 6.221 8.950
59 HB THR 9 HB THR 9 -26.284 5.215 7.954
60 HG1 THR 9 HG1 THR 9 -26.467 7.478 8.320
61 1HG2 THR 9 1HG2 THR 9 -24.568 4.992 10.368
62 2HG2 THR 9 2HG2 THR 9 -26.312 4.989 10.632
63 3HG2 THR 9 3HG2 THR 9 -25.575 3.768 9.594
64 H GLY 10 H GLY 10 -25.625 4.635 6.438
65 1HA GLY 10 1HA GLY 10 -23.496 2.746 5.904
66 2HA GLY 10 2HA GLY 10 -25.007 2.876 5.000
67 H LEU 11 H LEU 11 -24.944 5.391 3.958
68 HA LEU 11 HA LEU 11 -23.183 5.173 1.795
69 1HB LEU 11 1HB LEU 11 -25.327 6.840 2.544
70 2HB LEU 11 2HB LEU 11 -24.517 6.795 0.984
71 HG LEU 11 HG LEU 11 -23.261 8.372 3.187
72 1HD1 LEU 11 1HD1 LEU 11 -22.370 7.929 0.777
73 2HD1 LEU 11 2HD1 LEU 11 -23.585 9.110 0.286
74 3HD1 LEU 11 3HD1 LEU 11 -22.305 9.575 1.406
75 1HD2 LEU 11 1HD2 LEU 11 -25.905 8.790 2.676
76 2HD2 LEU 11 2HD2 LEU 11 -24.792 10.069 3.160
77 3HD2 LEU 11 3HD2 LEU 11 -25.170 9.828 1.455
78 H THR 12 H THR 12 -22.833 7.075 4.812
79 HA THR 12 HA THR 12 -20.555 8.452 4.167
80 HB THR 12 HB THR 12 -21.698 7.397 6.671
81 HG1 THR 12 HG1 THR 12 -20.935 9.682 5.442
82 1HG2 THR 12 1HG2 THR 12 -18.744 7.691 6.305
83 2HG2 THR 12 2HG2 THR 12 -19.449 8.376 7.770
84 3HG2 THR 12 3HG2 THR 12 -19.637 6.658 7.421
85 H ASP 13 H ASP 13 -20.326 5.621 6.044
86 HA ASP 13 HA ASP 13 -17.786 4.826 5.771
87 1HB ASP 13 1HB ASP 13 -20.304 3.275 5.840
88 2HB ASP 13 2HB ASP 13 -18.861 2.390 5.342
89 H GLU 14 H GLU 14 -20.053 4.774 3.071
90 HA GLU 14 HA GLU 14 -18.046 3.335 1.503
91 1HB GLU 14 1HB GLU 14 -20.809 3.802 1.224
92 2HB GLU 14 2HB GLU 14 -20.025 4.594 -0.144
93 1HG GLU 14 1HG GLU 14 -18.642 2.356 -0.265
94 2HG GLU 14 2HG GLU 14 -20.024 1.691 0.610
95 H GLN 15 H GLN 15 -19.372 6.665 1.555
96 HA GLN 15 HA GLN 15 -17.663 7.621 -0.531
97 1HB GLN 15 1HB GLN 15 -18.546 9.306 1.763
98 2HB GLN 15 2HB GLN 15 -18.366 9.765 0.071
99 1HG GLN 15 1HG GLN 15 -20.243 7.706 0.022
100 2HG GLN 15 2HG GLN 15 -20.672 8.639 1.456
101 2HE2 GLN 15 2HE2 GLN 15 -19.713 11.219 0.419
102 1HE2 GLN 15 1HE2 GLN 15 -20.791 11.687 -0.806
103 H ALA 16 H ALA 16 -17.469 7.463 2.905
104 HA ALA 16 HA ALA 16 -15.044 8.750 3.410
105 1HB ALA 16 1HB ALA 16 -15.619 7.971 5.461
106 2HB ALA 16 2HB ALA 16 -16.755 6.832 4.731
107 3HB ALA 16 3HB ALA 16 -15.064 6.373 4.959
108 H GLN 17 H GLN 17 -15.812 5.690 1.897
109 HA GLN 17 HA GLN 17 -12.964 4.901 1.773
110 1HB GLN 17 1HB GLN 17 -15.496 3.657 0.705
111 2HB GLN 17 2HB GLN 17 -13.890 3.027 0.338
112 1HG GLN 17 1HG GLN 17 -13.505 3.040 2.887
113 2HG GLN 17 2HG GLN 17 -15.255 3.209 3.016
114 2HE2 GLN 17 2HE2 GLN 17 -13.825 0.850 3.923
115 1HE2 GLN 17 1HE2 GLN 17 -14.326 -0.454 2.960
116 H GLU 18 H GLU 18 -15.390 6.422 -0.240
117 HA GLU 18 HA GLU 18 -14.318 6.152 -2.804
118 1HB GLU 18 1HB GLU 18 -16.115 7.954 -1.504
119 2HB GLU 18 2HB GLU 18 -14.955 8.924 -2.410
120 1HG GLU 18 1HG GLU 18 -16.006 8.402 -4.326
121 2HG GLU 18 2HG GLU 18 -15.695 6.690 -4.033
122 H LEU 19 H LEU 19 -13.060 7.721 -0.001
123 HA LEU 19 HA LEU 19 -10.803 8.821 -1.595
124 1HB LEU 19 1HB LEU 19 -10.459 10.399 0.130
125 2HB LEU 19 2HB LEU 19 -12.204 10.364 -0.087
126 HG LEU 19 HG LEU 19 -11.831 8.382 1.767
127 1HD1 LEU 19 1HD1 LEU 19 -9.412 9.884 1.714
128 2HD1 LEU 19 2HD1 LEU 19 -10.263 10.320 3.197
129 3HD1 LEU 19 3HD1 LEU 19 -9.880 8.630 2.864
130 1HD2 LEU 19 1HD2 LEU 19 -12.317 11.351 2.145
131 2HD2 LEU 19 2HD2 LEU 19 -13.534 10.087 1.956
132 3HD2 LEU 19 3HD2 LEU 19 -12.556 10.159 3.423
133 H HIS 20 H HIS 20 -11.752 6.672 0.977
134 HA HIS 20 HA HIS 20 -8.993 6.173 1.800
135 1HB HIS 20 1HB HIS 20 -11.602 5.746 2.898
136 2HB HIS 20 2HB HIS 20 -10.709 4.231 2.878
137 HD1 HIS 20 HD1 HIS 20 -8.598 4.056 4.358
138 HD2 HIS 20 HD2 HIS 20 -10.410 7.807 4.457
139 HE1 HIS 20 HE1 HIS 20 -7.511 5.324 6.267
140 H SER 21 H SER 21 -11.495 3.716 1.170
141 HA SER 21 HA SER 21 -10.022 1.578 0.508
142 1HB SER 21 1HB SER 21 -12.366 2.547 -1.113
143 2HB SER 21 2HB SER 21 -11.679 0.937 -1.243
144 HG SER 21 HG SER 21 -12.683 0.402 0.528
145 H VAL 22 H VAL 22 -11.210 3.533 -2.073
146 HA VAL 22 HA VAL 22 -9.711 2.792 -4.166
147 HB VAL 22 HB VAL 22 -11.184 4.520 -4.647
148 1HG1 VAL 22 1HG1 VAL 22 -10.542 5.288 -1.928
149 2HG1 VAL 22 2HG1 VAL 22 -10.546 6.710 -2.973
150 3HG1 VAL 22 3HG1 VAL 22 -11.977 5.680 -2.879
151 1HG2 VAL 22 1HG2 VAL 22 -8.541 5.970 -4.296
152 2HG2 VAL 22 2HG2 VAL 22 -9.082 5.128 -5.748
153 3HG2 VAL 22 3HG2 VAL 22 -9.912 6.590 -5.216
154 H TYR 23 H TYR 23 -8.711 5.150 -1.720
155 HA TYR 23 HA TYR 23 -6.121 5.793 -2.562
156 1HB TYR 23 1HB TYR 23 -7.636 6.284 -0.326
157 2HB TYR 23 2HB TYR 23 -6.352 5.282 0.327
158 HD1 TYR 23 HD1 TYR 23 -3.975 5.918 -1.043
159 HD2 TYR 23 HD2 TYR 23 -7.206 8.546 0.005
160 HE1 TYR 23 HE1 TYR 23 -2.422 7.859 -1.094
161 HE2 TYR 23 HE2 TYR 23 -5.666 10.478 -0.035
162 HH TYR 23 HH TYR 23 -3.348 10.951 -1.311
163 H MET 24 H MET 24 -6.718 3.474 0.078
164 HA MET 24 HA MET 24 -4.326 2.307 0.420
165 1HB MET 24 1HB MET 24 -5.383 0.391 1.236
166 2HB MET 24 2HB MET 24 -6.688 1.577 1.288
167 1HG MET 24 1HG MET 24 -7.098 0.686 -1.197
168 2HG MET 24 2HG MET 24 -6.305 -0.750 -0.554
169 1HE MET 24 1HE MET 24 -8.257 -2.039 -1.149
170 2HE MET 24 2HE MET 24 -9.845 -2.016 -0.386
171 3HE MET 24 3HE MET 24 -9.431 -0.789 -1.583
172 H SER 25 H SER 25 -6.278 1.766 -2.486
173 HA SER 25 HA SER 25 -4.621 -0.332 -3.561
174 1HB SER 25 1HB SER 25 -6.925 0.222 -4.385
175 2HB SER 25 2HB SER 25 -6.280 1.705 -5.081
176 HG SER 25 HG SER 25 -5.104 -0.791 -5.648
177 H GLY 26 H GLY 26 -4.875 3.028 -4.766
178 1HA GLY 26 1HA GLY 26 -2.202 2.888 -5.922
179 2HA GLY 26 2HA GLY 26 -3.252 4.301 -5.909
180 H LEU 27 H LEU 27 -2.848 2.901 -2.827
181 HA LEU 27 HA LEU 27 -1.277 5.206 -1.965
182 1HB LEU 27 1HB LEU 27 -3.305 3.746 -0.836
183 2HB LEU 27 2HB LEU 27 -1.890 3.095 -0.011
184 HG LEU 27 HG LEU 27 -2.198 6.071 -0.299
185 1HD1 LEU 27 1HD1 LEU 27 -4.339 5.070 0.641
186 2HD1 LEU 27 2HD1 LEU 27 -3.371 4.462 1.984
187 3HD1 LEU 27 3HD1 LEU 27 -3.508 6.198 1.712
188 1HD2 LEU 27 1HD2 LEU 27 -0.176 4.613 0.656
189 2HD2 LEU 27 2HD2 LEU 27 -0.625 6.147 1.400
190 3HD2 LEU 27 3HD2 LEU 27 -1.169 4.628 2.113
191 H TRP 28 H TRP 28 -1.026 1.655 -1.480
192 HA TRP 28 HA TRP 28 1.700 1.785 -0.683
193 1HB TRP 28 1HB TRP 28 0.389 -0.122 0.000
194 2HB TRP 28 2HB TRP 28 -0.040 -0.475 -1.672
195 HD1 TRP 28 HD1 TRP 28 2.351 -0.695 -3.230
196 HE1 TRP 28 HE1 TRP 28 4.324 -2.297 -2.735
197 HE3 TRP 28 HE3 TRP 28 1.575 -1.476 1.731
198 HZ2 TRP 28 HZ2 TRP 28 5.410 -3.721 -0.496
199 HZ3 TRP 28 HZ3 TRP 28 3.081 -2.954 3.031
200 HH2 TRP 28 HH2 TRP 28 4.995 -4.077 1.925
201 H LEU 29 H LEU 29 0.081 1.631 -3.694
202 HA LEU 29 HA LEU 29 2.658 1.194 -5.090
203 1HB LEU 29 1HB LEU 29 0.811 2.005 -7.029
204 2HB LEU 29 2HB LEU 29 1.306 0.347 -6.696
205 HG LEU 29 HG LEU 29 -0.905 1.773 -5.261
206 1HD1 LEU 29 1HD1 LEU 29 -0.851 0.193 -7.790
207 2HD1 LEU 29 2HD1 LEU 29 -2.217 -0.056 -6.703
208 3HD1 LEU 29 3HD1 LEU 29 -1.881 1.552 -7.344
209 1HD2 LEU 29 1HD2 LEU 29 0.525 -0.672 -4.824
210 2HD2 LEU 29 2HD2 LEU 29 -0.818 -0.017 -3.886
211 3HD2 LEU 29 3HD2 LEU 29 -1.137 -1.072 -5.264
212 H PHE 30 H PHE 30 0.505 3.750 -4.063
213 HA PHE 30 HA PHE 30 1.115 5.873 -5.653
214 1HB PHE 30 1HB PHE 30 0.227 5.611 -3.012
215 2HB PHE 30 2HB PHE 30 1.657 6.637 -2.911
216 HD1 PHE 30 HD1 PHE 30 -0.662 6.405 -5.812
217 HD2 PHE 30 HD2 PHE 30 0.642 8.750 -2.458
218 HE1 PHE 30 HE1 PHE 30 -1.967 8.335 -6.655
219 HE2 PHE 30 HE2 PHE 30 -0.665 10.681 -3.301
220 HZ PHE 30 HZ PHE 30 -1.970 10.474 -5.399
221 H SER 31 H SER 31 3.146 4.155 -3.505
222 HA SER 31 HA SER 31 5.477 5.880 -3.744
223 1HB SER 31 1HB SER 31 4.799 3.529 -2.302
224 2HB SER 31 2HB SER 31 6.174 3.104 -3.320
225 HG SER 31 HG SER 31 6.462 4.195 -1.117
226 H ALA 32 H ALA 32 4.664 2.681 -5.173
227 HA ALA 32 HA ALA 32 6.742 2.782 -7.194
228 1HB ALA 32 1HB ALA 32 4.336 1.223 -7.863
229 2HB ALA 32 2HB ALA 32 6.010 0.692 -7.701
230 3HB ALA 32 3HB ALA 32 4.992 0.852 -6.269
231 H VAL 33 H VAL 33 3.161 2.871 -7.766
232 HA VAL 33 HA VAL 33 3.062 3.847 -10.321
233 HB VAL 33 HB VAL 33 1.568 4.878 -7.942
234 1HG1 VAL 33 1HG1 VAL 33 1.684 5.944 -10.570
235 2HG1 VAL 33 2HG1 VAL 33 0.113 5.151 -10.401
236 3HG1 VAL 33 3HG1 VAL 33 0.592 6.413 -9.262
237 1HG2 VAL 33 1HG2 VAL 33 1.474 2.391 -8.885
238 2HG2 VAL 33 2HG2 VAL 33 0.007 3.207 -8.339
239 3HG2 VAL 33 3HG2 VAL 33 0.387 3.130 -10.059
240 H ALA 34 H ALA 34 3.713 5.878 -7.425
241 HA ALA 34 HA ALA 34 3.922 8.362 -8.763
242 1HB ALA 34 1HB ALA 34 5.862 8.734 -7.043
243 2HB ALA 34 2HB ALA 34 4.202 8.577 -6.452
244 3HB ALA 34 3HB ALA 34 5.308 7.199 -6.369
245 H ILE 35 H ILE 35 6.553 6.141 -7.901
246 HA ILE 35 HA ILE 35 8.639 7.250 -9.306
247 HB ILE 35 HB ILE 35 8.310 4.329 -9.687
248 1HG1 ILE 35 1HG1 ILE 35 8.292 5.658 -6.990
249 2HG1 ILE 35 2HG1 ILE 35 7.266 4.365 -7.609
250 1HG2 ILE 35 1HG2 ILE 35 10.291 6.101 -9.891
251 2HG2 ILE 35 2HG2 ILE 35 10.491 5.660 -8.195
252 3HG2 ILE 35 3HG2 ILE 35 10.588 4.417 -9.444
253 1HD1 ILE 35 1HD1 ILE 35 9.847 3.343 -7.860
254 2HD1 ILE 35 2HD1 ILE 35 9.868 4.179 -6.306
255 3HD1 ILE 35 3HD1 ILE 35 8.678 2.913 -6.610
256 H VAL 36 H VAL 36 5.809 5.596 -10.495
257 HA VAL 36 HA VAL 36 6.870 5.296 -13.180
258 HB VAL 36 HB VAL 36 3.952 5.385 -12.399
259 1HG1 VAL 36 1HG1 VAL 36 5.402 4.862 -14.796
260 2HG1 VAL 36 2HG1 VAL 36 4.721 3.328 -14.248
261 3HG1 VAL 36 3HG1 VAL 36 3.665 4.712 -14.528
262 1HG2 VAL 36 1HG2 VAL 36 5.451 3.915 -10.875
263 2HG2 VAL 36 2HG2 VAL 36 4.091 3.114 -11.674
264 3HG2 VAL 36 3HG2 VAL 36 5.721 2.930 -12.316
265 H ALA 37 H ALA 37 4.633 7.572 -11.602
266 HA ALA 37 HA ALA 37 4.092 9.253 -13.710
267 1HB ALA 37 1HB ALA 37 4.813 10.403 -11.030
268 2HB ALA 37 2HB ALA 37 3.385 9.377 -11.184
269 3HB ALA 37 3HB ALA 37 3.505 10.870 -12.116
270 H HIS 38 H HIS 38 7.045 8.850 -11.805
271 HA HIS 38 HA HIS 38 8.320 11.163 -13.053
272 1HB HIS 38 1HB HIS 38 10.312 10.484 -11.829
273 2HB HIS 38 2HB HIS 38 9.598 8.908 -11.486
274 HD1 HIS 38 HD1 HIS 38 10.272 10.208 -8.984
275 HD2 HIS 38 HD2 HIS 38 6.748 11.230 -10.964
276 HE1 HIS 38 HE1 HIS 38 8.753 11.257 -7.249
277 H LEU 39 H LEU 39 8.301 7.671 -13.556
278 HA LEU 39 HA LEU 39 10.256 7.946 -15.742
279 1HB LEU 39 1HB LEU 39 10.302 5.538 -15.799
280 2HB LEU 39 2HB LEU 39 8.842 5.436 -14.816
281 HG LEU 39 HG LEU 39 10.084 6.566 -12.962
282 1HD1 LEU 39 1HD1 LEU 39 11.219 3.991 -14.083
283 2HD1 LEU 39 2HD1 LEU 39 11.568 4.586 -12.459
284 3HD1 LEU 39 3HD1 LEU 39 9.915 4.159 -12.905
285 1HD2 LEU 39 1HD2 LEU 39 11.768 7.700 -14.379
286 2HD2 LEU 39 2HD2 LEU 39 12.542 6.715 -13.137
287 3HD2 LEU 39 3HD2 LEU 39 12.461 6.133 -14.801
288 H ALA 40 H ALA 40 7.156 6.229 -15.402
289 HA ALA 40 HA ALA 40 6.340 5.836 -17.943
290 1HB ALA 40 1HB ALA 40 4.518 5.349 -16.705
291 2HB ALA 40 2HB ALA 40 4.949 6.537 -15.471
292 3HB ALA 40 3HB ALA 40 4.064 7.043 -16.911
293 H VAL 41 H VAL 41 6.591 9.042 -16.432
294 HA VAL 41 HA VAL 41 5.256 10.415 -18.589
295 HB VAL 41 HB VAL 41 7.124 11.358 -16.409
296 1HG1 VAL 41 1HG1 VAL 41 5.701 12.889 -18.597
297 2HG1 VAL 41 2HG1 VAL 41 6.226 13.653 -17.098
298 3HG1 VAL 41 3HG1 VAL 41 7.415 12.934 -18.185
299 1HG2 VAL 41 1HG2 VAL 41 4.729 10.497 -15.958
300 2HG2 VAL 41 2HG2 VAL 41 5.142 12.094 -15.329
301 3HG2 VAL 41 3HG2 VAL 41 4.187 11.947 -16.805
302 H TYR 42 H TYR 42 8.735 10.395 -17.693
303 HA TYR 42 HA TYR 42 9.444 11.343 -20.358
304 1HB TYR 42 1HB TYR 42 11.223 10.387 -18.100
305 2HB TYR 42 2HB TYR 42 11.754 11.261 -19.537
306 HD1 TYR 42 HD1 TYR 42 10.920 13.608 -19.940
307 HD2 TYR 42 HD2 TYR 42 10.270 11.527 -16.242
308 HE1 TYR 42 HE1 TYR 42 10.405 15.761 -18.821
309 HE2 TYR 42 HE2 TYR 42 9.753 13.679 -15.120
310 HH TYR 42 HH TYR 42 9.466 16.677 -16.947
311 H ILE 43 H ILE 43 8.352 8.466 -19.512
312 HA ILE 43 HA ILE 43 10.418 6.905 -20.986
313 HB ILE 43 HB ILE 43 8.284 6.173 -18.990
314 1HG1 ILE 43 1HG1 ILE 43 11.259 5.724 -19.316
315 2HG1 ILE 43 2HG1 ILE 43 10.426 6.601 -18.032
316 1HG2 ILE 43 1HG2 ILE 43 9.679 4.270 -20.901
317 2HG2 ILE 43 2HG2 ILE 43 8.706 3.782 -19.513
318 3HG2 ILE 43 3HG2 ILE 43 7.952 4.623 -20.868
319 1HD1 ILE 43 1HD1 ILE 43 9.316 4.419 -17.391
320 2HD1 ILE 43 2HD1 ILE 43 10.397 3.613 -18.528
321 3HD1 ILE 43 3HD1 ILE 43 11.059 4.460 -17.130
322 H TRP 44 H TRP 44 7.160 8.115 -21.179
323 HA TRP 44 HA TRP 44 6.563 6.332 -23.469
324 1HB TRP 44 1HB TRP 44 4.905 8.278 -21.864
325 2HB TRP 44 2HB TRP 44 4.317 7.579 -23.372
326 HD1 TRP 44 HD1 TRP 44 6.039 6.182 -20.188
327 HE1 TRP 44 HE1 TRP 44 4.830 4.004 -19.522
328 HE3 TRP 44 HE3 TRP 44 2.531 5.950 -23.893
329 HZ2 TRP 44 HZ2 TRP 44 2.662 2.379 -20.440
330 HZ3 TRP 44 HZ3 TRP 44 0.909 4.080 -23.973
331 HH2 TRP 44 HH2 TRP 44 0.970 2.295 -22.252
332 H ARG 45 H ARG 45 8.299 9.010 -23.140
333 HA ARG 45 HA ARG 45 7.142 10.558 -25.345
334 1HB ARG 45 1HB ARG 45 8.539 12.276 -24.747
335 2HB ARG 45 2HB ARG 45 9.858 11.194 -24.310
336 1HG ARG 45 1HG ARG 45 8.762 12.348 -22.346
337 2HG ARG 45 2HG ARG 45 8.753 10.587 -22.242
338 1HD ARG 45 1HD ARG 45 6.427 11.655 -23.670
339 2HD ARG 45 2HD ARG 45 6.491 10.501 -22.339
340 HE ARG 45 HE ARG 45 7.040 12.878 -21.083
341 1HH1 ARG 45 1HH1 ARG 45 5.598 14.310 -23.251
342 2HH1 ARG 45 2HH1 ARG 45 3.961 14.299 -22.686
343 1HH2 ARG 45 1HH2 ARG 45 4.501 11.781 -20.363
344 2HH2 ARG 45 2HH2 ARG 45 3.339 12.867 -21.051
345 1HB PRO 46 1HB PRO 46 12.600 7.106 -26.118
346 2HB PRO 46 2HB PRO 46 12.843 8.853 -25.942
347 1HG PRO 46 1HG PRO 46 12.356 8.518 -23.716
348 2HG PRO 46 2HG PRO 46 11.619 6.938 -24.029
349 1HD PRO 46 1HD PRO 46 9.561 7.928 -23.875
350 2HD PRO 46 2HD PRO 46 10.298 9.533 -23.725
351 H TRP 47 H TRP 47 8.455 7.501 -26.835
352 HA TRP 47 HA TRP 47 8.995 5.235 -28.610
353 1HB TRP 47 1HB TRP 47 8.249 3.504 -27.089
354 2HB TRP 47 2HB TRP 47 7.894 4.694 -25.837
355 HD1 TRP 47 HD1 TRP 47 9.939 5.805 -24.564
356 HE1 TRP 47 HE1 TRP 47 12.404 5.096 -24.309
357 HE3 TRP 47 HE3 TRP 47 10.249 2.331 -28.295
358 HZ2 TRP 47 HZ2 TRP 47 14.262 3.294 -25.525
359 HZ3 TRP 47 HZ3 TRP 47 12.377 1.134 -28.724
360 HH2 TRP 47 HH2 TRP 47 14.382 1.611 -27.346
361 H PHE 48 H PHE 48 6.588 6.557 -26.309
362 HA PHE 48 HA PHE 48 4.295 6.964 -26.596
363 1HB PHE 48 1HB PHE 48 5.540 8.237 -28.607
364 2HB PHE 48 2HB PHE 48 4.607 7.081 -29.559
365 HD1 PHE 48 HD1 PHE 48 2.072 6.787 -28.700
366 HD2 PHE 48 HD2 PHE 48 4.520 10.264 -28.090
367 HE1 PHE 48 HE1 PHE 48 0.035 8.165 -28.379
368 HE2 PHE 48 HE2 PHE 48 2.483 11.641 -27.768
369 HZ PHE 48 HZ PHE 48 0.241 10.591 -27.913
No H/Q in entry = 369
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 28.442 10.894 31.944
2 H2 ALA 1 H2 ALA 1 29.834 10.713 30.994
3 H3 ALA 1 H3 ALA 1 29.975 11.156 32.628
4 HA ALA 1 HA ALA 1 29.153 13.293 32.267
5 1HB ALA 1 1HB ALA 1 30.936 14.088 31.106
6 2HB ALA 1 2HB ALA 1 30.518 13.165 29.662
7 3HB ALA 1 3HB ALA 1 31.412 12.395 30.972
8 H ASP 2 H ASP 2 28.327 11.040 29.717
9 HA ASP 2 HA ASP 2 26.361 13.039 28.676
10 1HB ASP 2 1HB ASP 2 28.131 11.083 27.322
11 2HB ASP 2 2HB ASP 2 26.492 11.210 26.683
12 H LYS 3 H LYS 3 26.324 9.669 27.799
13 HA LYS 3 HA LYS 3 24.863 7.919 28.415
14 1HB LYS 3 1HB LYS 3 24.985 9.530 30.738
15 2HB LYS 3 2HB LYS 3 23.275 9.221 30.438
16 1HG LYS 3 1HG LYS 3 23.508 6.921 30.665
17 2HG LYS 3 2HG LYS 3 25.212 6.945 30.208
18 1HD LYS 3 1HD LYS 3 25.297 8.451 32.469
19 2HD LYS 3 2HD LYS 3 25.546 6.704 32.454
20 1HE LYS 3 1HE LYS 3 22.919 6.627 32.637
21 2HE LYS 3 2HE LYS 3 23.887 6.922 34.082
22 1HZ LYS 3 1HZ LYS 3 23.573 9.395 33.024
23 2HZ LYS 3 2HZ LYS 3 22.069 8.670 32.709
24 3HZ LYS 3 3HZ LYS 3 22.654 8.748 34.299
25 H SER 4 H SER 4 24.067 10.948 27.286
26 HA SER 4 HA SER 4 21.177 10.720 27.223
27 1HB SER 4 1HB SER 4 23.065 12.703 26.599
28 2HB SER 4 2HB SER 4 22.280 12.324 25.069
29 HG SER 4 HG SER 4 20.482 13.152 25.798
30 H ASP 5 H ASP 5 23.791 9.515 25.259
31 HA ASP 5 HA ASP 5 22.325 9.049 22.841
32 1HB ASP 5 1HB ASP 5 24.940 8.562 23.784
33 2HB ASP 5 2HB ASP 5 24.291 6.984 23.333
34 H LEU 6 H LEU 6 22.587 7.252 25.861
35 HA LEU 6 HA LEU 6 21.469 4.786 24.943
36 1HB LEU 6 1HB LEU 6 21.008 4.317 27.272
37 2HB LEU 6 2HB LEU 6 21.110 6.033 27.683
38 HG LEU 6 HG LEU 6 23.460 5.724 26.448
39 1HD1 LEU 6 1HD1 LEU 6 22.764 5.143 29.337
40 2HD1 LEU 6 2HD1 LEU 6 24.426 5.331 28.776
41 3HD1 LEU 6 3HD1 LEU 6 23.293 6.676 28.647
42 1HD2 LEU 6 1HD2 LEU 6 22.883 3.254 26.151
43 2HD2 LEU 6 2HD2 LEU 6 24.455 3.593 26.875
44 3HD2 LEU 6 3HD2 LEU 6 23.104 3.093 27.894
45 H GLY 7 H GLY 7 19.812 7.203 26.968
46 1HA GLY 7 1HA GLY 7 17.195 6.602 26.860
47 2HA GLY 7 2HA GLY 7 17.683 8.262 26.514
48 H TYR 8 H TYR 8 18.835 8.084 24.077
49 HA TYR 8 HA TYR 8 16.734 7.956 22.238
50 1HB TYR 8 1HB TYR 8 18.663 9.263 21.771
51 2HB TYR 8 2HB TYR 8 19.734 7.903 22.072
52 HD1 TYR 8 HD1 TYR 8 17.198 9.271 19.744
53 HD2 TYR 8 HD2 TYR 8 20.307 6.373 20.369
54 HE1 TYR 8 HE1 TYR 8 17.270 8.831 17.298
55 HE2 TYR 8 HE2 TYR 8 20.385 5.928 17.918
56 HH TYR 8 HH TYR 8 18.399 7.814 15.646
57 H THR 9 H THR 9 19.587 5.972 21.983
58 HA THR 9 HA THR 9 19.628 3.807 20.868
59 HB THR 9 HB THR 9 20.152 4.066 23.395
60 HG1 THR 9 HG1 THR 9 21.049 2.475 22.308
61 1HG2 THR 9 1HG2 THR 9 17.423 3.445 23.622
62 2HG2 THR 9 2HG2 THR 9 18.279 1.986 24.121
63 3HG2 THR 9 3HG2 THR 9 18.607 3.517 24.926
64 H GLY 10 H GLY 10 17.809 1.734 22.410
65 1HA GLY 10 1HA GLY 10 16.090 0.953 20.470
66 2HA GLY 10 2HA GLY 10 15.654 0.810 22.168
67 H LEU 11 H LEU 11 15.391 3.751 22.657
68 HA LEU 11 HA LEU 11 12.724 4.120 21.991
69 1HB LEU 11 1HB LEU 11 13.144 5.840 23.413
70 2HB LEU 11 2HB LEU 11 14.874 5.715 23.122
71 HG LEU 11 HG LEU 11 14.449 6.927 20.944
72 1HD1 LEU 11 1HD1 LEU 11 11.935 6.492 21.104
73 2HD1 LEU 11 2HD1 LEU 11 11.894 7.769 22.320
74 3HD1 LEU 11 3HD1 LEU 11 12.406 8.137 20.674
75 1HD2 LEU 11 1HD2 LEU 11 15.138 7.814 23.385
76 2HD2 LEU 11 2HD2 LEU 11 14.975 8.900 22.005
77 3HD2 LEU 11 3HD2 LEU 11 13.654 8.743 23.163
78 H THR 12 H THR 12 15.607 5.281 20.330
79 HA THR 12 HA THR 12 14.653 6.547 18.162
80 HB THR 12 HB THR 12 16.640 4.306 17.925
81 HG1 THR 12 HG1 THR 12 16.660 6.574 19.392
82 1HG2 THR 12 1HG2 THR 12 15.785 5.615 15.884
83 2HG2 THR 12 2HG2 THR 12 16.651 6.994 16.554
84 3HG2 THR 12 3HG2 THR 12 17.531 5.533 16.106
85 H ASP 13 H ASP 13 15.240 3.131 18.106
86 HA ASP 13 HA ASP 13 14.116 2.291 15.845
87 1HB ASP 13 1HB ASP 13 14.048 1.146 18.543
88 2HB ASP 13 2HB ASP 13 12.768 0.544 17.489
89 H GLU 14 H GLU 14 12.105 3.428 18.517
90 HA GLU 14 HA GLU 14 9.809 3.210 16.682
91 1HB GLU 14 1HB GLU 14 10.083 3.206 19.506
92 2HB GLU 14 2HB GLU 14 9.133 4.627 19.070
93 1HG GLU 14 1HG GLU 14 7.354 3.261 18.845
94 2HG GLU 14 2HG GLU 14 8.153 2.595 17.420
95 H GLN 15 H GLN 15 11.745 5.740 18.280
96 HA GLN 15 HA GLN 15 10.197 7.931 17.231
97 1HB GLN 15 1HB GLN 15 11.472 8.616 19.004
98 2HB GLN 15 2HB GLN 15 12.826 7.598 18.555
99 1HG GLN 15 1HG GLN 15 13.841 9.350 17.569
100 2HG GLN 15 2HG GLN 15 12.449 9.587 16.509
101 2HE2 GLN 15 2HE2 GLN 15 11.006 11.310 16.997
102 1HE2 GLN 15 1HE2 GLN 15 11.214 12.352 18.322
103 H ALA 16 H ALA 16 13.073 6.267 16.239
104 HA ALA 16 HA ALA 16 13.662 7.692 13.888
105 1HB ALA 16 1HB ALA 16 14.223 5.049 15.015
106 2HB ALA 16 2HB ALA 16 15.252 6.058 13.993
107 3HB ALA 16 3HB ALA 16 14.050 4.994 13.258
108 H GLN 17 H GLN 17 11.126 5.471 14.829
109 HA GLN 17 HA GLN 17 10.108 5.255 12.074
110 1HB GLN 17 1HB GLN 17 9.122 4.231 14.731
111 2HB GLN 17 2HB GLN 17 8.169 4.092 13.253
112 1HG GLN 17 1HG GLN 17 10.049 2.925 12.161
113 2HG GLN 17 2HG GLN 17 10.966 3.026 13.662
114 2HE2 GLN 17 2HE2 GLN 17 10.032 0.539 12.295
115 1HE2 GLN 17 1HE2 GLN 17 9.038 -0.261 13.415
116 H GLU 18 H GLU 18 9.576 7.208 14.925
117 HA GLU 18 HA GLU 18 6.989 8.190 14.441
118 1HB GLU 18 1HB GLU 18 9.303 9.047 15.924
119 2HB GLU 18 2HB GLU 18 8.621 10.436 15.077
120 1HG GLU 18 1HG GLU 18 6.855 10.508 16.474
121 2HG GLU 18 2HG GLU 18 6.519 8.795 16.222
122 H LEU 19 H LEU 19 9.929 8.585 12.645
123 HA LEU 19 HA LEU 19 8.597 10.550 10.831
124 1HB LEU 19 1HB LEU 19 10.741 11.283 10.200
125 2HB LEU 19 2HB LEU 19 11.531 9.874 10.871
126 HG LEU 19 HG LEU 19 11.699 12.053 12.214
127 1HD1 LEU 19 1HD1 LEU 19 9.009 12.187 11.859
128 2HD1 LEU 19 2HD1 LEU 19 9.077 11.371 13.426
129 3HD1 LEU 19 3HD1 LEU 19 9.842 12.944 13.220
130 1HD2 LEU 19 1HD2 LEU 19 11.764 9.415 12.888
131 2HD2 LEU 19 2HD2 LEU 19 12.100 10.727 14.026
132 3HD2 LEU 19 3HD2 LEU 19 10.493 10.001 13.970
133 H HIS 20 H HIS 20 9.624 7.346 11.109
134 HA HIS 20 HA HIS 20 9.794 7.093 8.206
135 1HB HIS 20 1HB HIS 20 11.043 5.696 10.516
136 2HB HIS 20 2HB HIS 20 10.870 4.859 8.985
137 HD1 HIS 20 HD1 HIS 20 13.656 5.571 9.814
138 HD2 HIS 20 HD2 HIS 20 11.282 8.177 7.655
139 HE1 HIS 20 HE1 HIS 20 15.255 7.157 8.648
140 H SER 21 H SER 21 8.916 4.732 10.808
141 HA SER 21 HA SER 21 7.244 3.144 9.374
142 1HB SER 21 1HB SER 21 6.631 4.222 12.117
143 2HB SER 21 2HB SER 21 5.781 2.881 11.373
144 HG SER 21 HG SER 21 7.451 1.621 11.733
145 H VAL 22 H VAL 22 5.841 5.593 11.347
146 HA VAL 22 HA VAL 22 3.428 5.868 10.144
147 HB VAL 22 HB VAL 22 3.768 7.130 12.098
148 1HG1 VAL 22 1HG1 VAL 22 6.430 7.276 11.122
149 2HG1 VAL 22 2HG1 VAL 22 5.902 8.946 11.336
150 3HG1 VAL 22 3HG1 VAL 22 5.844 7.820 12.693
151 1HG2 VAL 22 1HG2 VAL 22 3.018 8.505 9.796
152 2HG2 VAL 22 2HG2 VAL 22 2.818 9.082 11.450
153 3HG2 VAL 22 3HG2 VAL 22 4.242 9.549 10.520
154 H TYR 23 H TYR 23 6.337 7.756 9.378
155 HA TYR 23 HA TYR 23 5.262 9.026 7.029
156 1HB TYR 23 1HB TYR 23 7.446 9.314 8.791
157 2HB TYR 23 2HB TYR 23 8.127 9.090 7.187
158 HD1 TYR 23 HD1 TYR 23 6.936 10.419 5.278
159 HD2 TYR 23 HD2 TYR 23 6.870 11.423 9.442
160 HE1 TYR 23 HE1 TYR 23 6.427 12.798 4.700
161 HE2 TYR 23 HE2 TYR 23 6.378 13.784 8.896
162 HH TYR 23 HH TYR 23 6.362 14.918 5.537
163 H MET 24 H MET 24 8.393 7.387 7.082
164 HA MET 24 HA MET 24 8.647 6.816 4.456
165 1HB MET 24 1HB MET 24 9.988 5.995 6.776
166 2HB MET 24 2HB MET 24 9.490 4.479 6.021
167 1HG MET 24 1HG MET 24 10.396 5.466 3.828
168 2HG MET 24 2HG MET 24 11.169 6.687 4.839
169 1HE MET 24 1HE MET 24 12.952 6.728 5.612
170 2HE MET 24 2HE MET 24 13.406 5.610 6.896
171 3HE MET 24 3HE MET 24 14.267 5.585 5.351
172 H SER 25 H SER 25 6.392 5.195 6.608
173 HA SER 25 HA SER 25 5.961 2.883 4.926
174 1HB SER 25 1HB SER 25 5.235 2.958 7.298
175 2HB SER 25 2HB SER 25 4.050 4.193 6.885
176 HG SER 25 HG SER 25 4.118 1.465 6.263
177 H GLY 26 H GLY 26 3.845 5.747 5.436
178 1HA GLY 26 1HA GLY 26 2.277 5.188 3.074
179 2HA GLY 26 2HA GLY 26 2.283 6.712 3.965
180 H LEU 27 H LEU 27 5.378 6.440 3.503
181 HA LEU 27 HA LEU 27 5.329 7.990 1.006
182 1HB LEU 27 1HB LEU 27 7.038 7.824 3.410
183 2HB LEU 27 2HB LEU 27 7.882 8.159 1.894
184 HG LEU 27 HG LEU 27 6.042 9.941 1.506
185 1HD1 LEU 27 1HD1 LEU 27 5.611 9.138 4.372
186 2HD1 LEU 27 2HD1 LEU 27 5.343 10.816 3.892
187 3HD1 LEU 27 3HD1 LEU 27 4.418 9.522 3.131
188 1HD2 LEU 27 1HD2 LEU 27 8.302 10.059 3.483
189 2HD2 LEU 27 2HD2 LEU 27 8.170 10.819 1.898
190 3HD2 LEU 27 3HD2 LEU 27 7.273 11.475 3.267
191 H TRP 28 H TRP 28 6.017 4.860 2.115
192 HA TRP 28 HA TRP 28 8.052 4.270 0.136
193 1HB TRP 28 1HB TRP 28 8.204 3.118 2.261
194 2HB TRP 28 2HB TRP 28 6.537 2.567 2.115
195 HD1 TRP 28 HD1 TRP 28 6.190 1.231 -0.394
196 HE1 TRP 28 HE1 TRP 28 7.599 -0.769 -1.237
197 HE3 TRP 28 HE3 TRP 28 10.366 1.886 2.433
198 HZ2 TRP 28 HZ2 TRP 28 10.177 -1.926 -0.752
199 HZ3 TRP 28 HZ3 TRP 28 12.286 0.331 2.234
200 HH2 TRP 28 HH2 TRP 28 12.197 -1.572 0.646
201 H LEU 29 H LEU 29 4.677 4.245 0.467
202 HA LEU 29 HA LEU 29 4.205 2.473 -1.817
203 1HB LEU 29 1HB LEU 29 2.281 2.258 -0.646
204 2HB LEU 29 2HB LEU 29 2.647 3.671 0.332
205 HG LEU 29 HG LEU 29 1.872 5.037 -1.748
206 1HD1 LEU 29 1HD1 LEU 29 1.783 2.632 -2.959
207 2HD1 LEU 29 2HD1 LEU 29 0.132 2.697 -2.342
208 3HD1 LEU 29 3HD1 LEU 29 0.721 3.962 -3.420
209 1HD2 LEU 29 1HD2 LEU 29 0.700 4.510 0.534
210 2HD2 LEU 29 2HD2 LEU 29 -0.251 5.193 -0.788
211 3HD2 LEU 29 3HD2 LEU 29 -0.330 3.463 -0.445
212 H PHE 30 H PHE 30 3.895 5.960 -1.093
213 HA PHE 30 HA PHE 30 3.193 6.659 -3.748
214 1HB PHE 30 1HB PHE 30 3.845 8.085 -1.263
215 2HB PHE 30 2HB PHE 30 4.266 8.958 -2.737
216 HD1 PHE 30 HD1 PHE 30 1.447 6.847 -1.422
217 HD2 PHE 30 HD2 PHE 30 2.623 10.320 -3.661
218 HE1 PHE 30 HE1 PHE 30 -0.937 7.442 -1.752
219 HE2 PHE 30 HE2 PHE 30 0.238 10.914 -3.991
220 HZ PHE 30 HZ PHE 30 -1.542 9.476 -3.036
221 H SER 31 H SER 31 6.044 5.607 -2.428
222 HA SER 31 HA SER 31 7.810 7.139 -4.228
223 1HB SER 31 1HB SER 31 8.551 6.504 -1.916
224 2HB SER 31 2HB SER 31 8.478 4.810 -2.395
225 HG SER 31 HG SER 31 10.450 6.538 -2.754
226 H ALA 32 H ALA 32 5.714 4.692 -4.652
227 HA ALA 32 HA ALA 32 7.401 3.389 -6.751
228 1HB ALA 32 1HB ALA 32 5.348 1.616 -6.310
229 2HB ALA 32 2HB ALA 32 6.938 1.490 -5.555
230 3HB ALA 32 3HB ALA 32 5.605 2.249 -4.684
231 H VAL 33 H VAL 33 4.078 4.363 -5.814
232 HA VAL 33 HA VAL 33 3.058 4.094 -8.495
233 HB VAL 33 HB VAL 33 2.090 5.930 -6.336
234 1HG1 VAL 33 1HG1 VAL 33 1.334 5.669 -8.969
235 2HG1 VAL 33 2HG1 VAL 33 0.184 4.612 -8.141
236 3HG1 VAL 33 3HG1 VAL 33 0.304 6.313 -7.685
237 1HG2 VAL 33 1HG2 VAL 33 2.081 3.009 -6.525
238 2HG2 VAL 33 2HG2 VAL 33 1.707 4.039 -5.142
239 3HG2 VAL 33 3HG2 VAL 33 0.460 3.678 -6.337
240 H ALA 34 H ALA 34 4.508 6.717 -6.616
241 HA ALA 34 HA ALA 34 4.051 8.864 -8.416
242 1HB ALA 34 1HB ALA 34 6.341 9.654 -7.584
243 2HB ALA 34 2HB ALA 34 5.109 9.404 -6.339
244 3HB ALA 34 3HB ALA 34 6.369 8.188 -6.601
245 H ILE 35 H ILE 35 6.524 6.417 -8.200
246 HA ILE 35 HA ILE 35 8.119 7.210 -10.391
247 HB ILE 35 HB ILE 35 7.803 4.310 -9.890
248 1HG1 ILE 35 1HG1 ILE 35 7.419 4.965 -7.659
249 2HG1 ILE 35 2HG1 ILE 35 9.123 4.536 -7.749
250 1HG2 ILE 35 1HG2 ILE 35 9.587 5.763 -11.152
251 2HG2 ILE 35 2HG2 ILE 35 10.253 5.959 -9.533
252 3HG2 ILE 35 3HG2 ILE 35 10.094 4.346 -10.233
253 1HD1 ILE 35 1HD1 ILE 35 8.946 7.280 -8.441
254 2HD1 ILE 35 2HD1 ILE 35 7.951 7.059 -7.000
255 3HD1 ILE 35 3HD1 ILE 35 9.651 6.588 -6.980
256 H VAL 36 H VAL 36 5.134 5.335 -10.118
257 HA VAL 36 HA VAL 36 5.314 4.584 -12.927
258 HB VAL 36 HB VAL 36 2.753 4.494 -11.383
259 1HG1 VAL 36 1HG1 VAL 36 3.998 3.323 -13.791
260 2HG1 VAL 36 2HG1 VAL 36 3.188 2.133 -12.764
261 3HG1 VAL 36 3HG1 VAL 36 2.289 3.516 -13.389
262 1HG2 VAL 36 1HG2 VAL 36 5.172 3.491 -10.364
263 2HG2 VAL 36 2HG2 VAL 36 3.552 2.990 -9.881
264 3HG2 VAL 36 3HG2 VAL 36 4.410 2.098 -11.135
265 H ALA 37 H ALA 37 4.284 7.230 -11.095
266 HA ALA 37 HA ALA 37 2.524 8.315 -13.088
267 1HB ALA 37 1HB ALA 37 3.937 9.730 -10.815
268 2HB ALA 37 2HB ALA 37 2.339 8.991 -10.688
269 3HB ALA 37 3HB ALA 37 2.593 10.371 -11.760
270 H HIS 38 H HIS 38 5.877 8.155 -12.301
271 HA HIS 38 HA HIS 38 6.562 10.096 -14.434
272 1HB HIS 38 1HB HIS 38 8.749 10.198 -13.388
273 2HB HIS 38 2HB HIS 38 8.316 8.906 -12.282
274 HD1 HIS 38 HD1 HIS 38 8.665 10.504 -10.236
275 HD2 HIS 38 HD2 HIS 38 5.650 11.708 -12.852
276 HE1 HIS 38 HE1 HIS 38 7.331 12.284 -9.022
277 H LEU 39 H LEU 39 5.899 7.015 -14.492
278 HA LEU 39 HA LEU 39 8.360 5.847 -15.416
279 1HB LEU 39 1HB LEU 39 6.876 3.917 -16.087
280 2HB LEU 39 2HB LEU 39 6.803 4.356 -14.391
281 HG LEU 39 HG LEU 39 4.593 4.852 -14.520
282 1HD1 LEU 39 1HD1 LEU 39 5.262 6.866 -16.217
283 2HD1 LEU 39 2HD1 LEU 39 4.366 5.832 -17.310
284 3HD1 LEU 39 3HD1 LEU 39 3.599 6.439 -15.860
285 1HD2 LEU 39 1HD2 LEU 39 5.242 2.873 -16.363
286 2HD2 LEU 39 2HD2 LEU 39 3.667 3.147 -15.617
287 3HD2 LEU 39 3HD2 LEU 39 4.043 3.879 -17.176
288 H ALA 40 H ALA 40 5.920 4.876 -17.503
289 HA ALA 40 HA ALA 40 7.217 5.450 -19.856
290 1HB ALA 40 1HB ALA 40 5.081 4.063 -19.439
291 2HB ALA 40 2HB ALA 40 4.243 5.580 -19.764
292 3HB ALA 40 3HB ALA 40 5.271 4.857 -21.003
293 H VAL 41 H VAL 41 6.009 7.767 -17.878
294 HA VAL 41 HA VAL 41 5.288 9.675 -19.932
295 HB VAL 41 HB VAL 41 5.821 10.462 -17.102
296 1HG1 VAL 41 1HG1 VAL 41 3.701 10.982 -19.190
297 2HG1 VAL 41 2HG1 VAL 41 3.546 11.540 -17.523
298 3HG1 VAL 41 3HG1 VAL 41 4.874 12.122 -18.530
299 1HG2 VAL 41 1HG2 VAL 41 4.225 8.132 -17.864
300 2HG2 VAL 41 2HG2 VAL 41 4.610 8.743 -16.247
301 3HG2 VAL 41 3HG2 VAL 41 3.213 9.381 -17.113
302 H TYR 42 H TYR 42 7.910 9.216 -17.581
303 HA TYR 42 HA TYR 42 9.475 11.426 -18.623
304 1HB TYR 42 1HB TYR 42 10.024 9.189 -16.667
305 2HB TYR 42 2HB TYR 42 11.287 10.322 -17.164
306 HD1 TYR 42 HD1 TYR 42 7.818 10.183 -15.799
307 HD2 TYR 42 HD2 TYR 42 11.464 12.430 -16.131
308 HE1 TYR 42 HE1 TYR 42 6.926 11.881 -14.212
309 HE2 TYR 42 HE2 TYR 42 10.576 14.116 -14.542
310 HH TYR 42 HH TYR 42 8.734 14.837 -13.471
311 H ILE 43 H ILE 43 9.442 7.905 -18.956
312 HA ILE 43 HA ILE 43 11.839 7.715 -20.539
313 HB ILE 43 HB ILE 43 9.439 5.912 -20.170
314 1HG1 ILE 43 1HG1 ILE 43 12.290 5.295 -19.457
315 2HG1 ILE 43 2HG1 ILE 43 11.357 6.373 -18.419
316 1HG2 ILE 43 1HG2 ILE 43 11.652 5.772 -22.145
317 2HG2 ILE 43 2HG2 ILE 43 11.302 4.282 -21.268
318 3HG2 ILE 43 3HG2 ILE 43 10.036 5.068 -22.210
319 1HD1 ILE 43 1HD1 ILE 43 9.598 4.645 -18.215
320 2HD1 ILE 43 2HD1 ILE 43 10.553 3.563 -19.229
321 3HD1 ILE 43 3HD1 ILE 43 11.155 4.046 -17.643
322 H TRP 44 H TRP 44 8.856 9.106 -21.250
323 HA TRP 44 HA TRP 44 9.270 8.636 -24.175
324 1HB TRP 44 1HB TRP 44 6.782 9.043 -22.533
325 2HB TRP 44 2HB TRP 44 6.788 9.464 -24.245
326 HD1 TRP 44 HD1 TRP 44 7.795 6.438 -22.045
327 HE1 TRP 44 HE1 TRP 44 7.204 4.285 -23.334
328 HE3 TRP 44 HE3 TRP 44 6.022 8.465 -26.384
329 HZ2 TRP 44 HZ2 TRP 44 6.122 3.523 -25.871
330 HZ3 TRP 44 HZ3 TRP 44 5.218 7.006 -28.218
331 HH2 TRP 44 HH2 TRP 44 5.265 4.539 -27.967
332 H ARG 45 H ARG 45 10.192 10.775 -22.060
333 HA ARG 45 HA ARG 45 9.091 13.287 -22.721
334 1HB ARG 45 1HB ARG 45 11.459 12.296 -21.416
335 2HB ARG 45 2HB ARG 45 11.903 13.629 -22.482
336 1HG ARG 45 1HG ARG 45 10.013 14.959 -21.465
337 2HG ARG 45 2HG ARG 45 11.313 14.574 -20.337
338 1HD ARG 45 1HD ARG 45 8.516 13.819 -20.230
339 2HD ARG 45 2HD ARG 45 9.545 12.387 -20.220
340 HE ARG 45 HE ARG 45 10.306 13.015 -18.073
341 1HH1 ARG 45 1HH1 ARG 45 7.816 15.045 -19.011
342 2HH1 ARG 45 2HH1 ARG 45 8.228 16.343 -17.942
343 1HH2 ARG 45 1HH2 ARG 45 11.244 14.941 -16.969
344 2HH2 ARG 45 2HH2 ARG 45 10.166 16.285 -16.787
345 1HB PRO 46 1HB PRO 46 11.671 16.691 -26.543
346 2HB PRO 46 2HB PRO 46 9.924 16.397 -26.500
347 1HG PRO 46 1HG PRO 46 10.040 17.371 -24.406
348 2HG PRO 46 2HG PRO 46 11.775 17.047 -24.251
349 1HD PRO 46 1HD PRO 46 11.192 15.291 -22.888
350 2HD PRO 46 2HD PRO 46 9.482 15.407 -23.355
351 H TRP 47 H TRP 47 12.210 12.726 -27.240
352 HA TRP 47 HA TRP 47 14.958 13.806 -27.050
353 1HB TRP 47 1HB TRP 47 15.866 11.892 -25.934
354 2HB TRP 47 2HB TRP 47 14.473 12.394 -24.976
355 HD1 TRP 47 HD1 TRP 47 12.299 10.858 -25.040
356 HE1 TRP 47 HE1 TRP 47 11.937 8.415 -25.770
357 HE3 TRP 47 HE3 TRP 47 16.637 10.049 -27.616
358 HZ2 TRP 47 HZ2 TRP 47 13.302 6.384 -27.248
359 HZ3 TRP 47 HZ3 TRP 47 17.079 7.851 -28.674
360 HH2 TRP 47 HH2 TRP 47 15.419 6.019 -28.492
361 H PHE 48 H PHE 48 12.745 12.885 -29.026
362 HA PHE 48 HA PHE 48 13.836 10.627 -30.442
363 1HB PHE 48 1HB PHE 48 12.137 11.018 -32.017
364 2HB PHE 48 2HB PHE 48 11.453 11.674 -30.530
365 HD1 PHE 48 HD1 PHE 48 11.915 14.213 -30.067
366 HD2 PHE 48 HD2 PHE 48 12.250 12.366 -33.930
367 HE1 PHE 48 HE1 PHE 48 11.694 16.434 -31.148
368 HE2 PHE 48 HE2 PHE 48 12.027 14.587 -35.011
369 HZ PHE 48 HZ PHE 48 11.750 16.621 -33.620
No H/Q in entry = 369
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 -21.713 4.801 32.476
2 H2 ALA 1 H2 ALA 1 -22.771 5.677 33.477
3 H3 ALA 1 H3 ALA 1 -23.098 4.051 33.103
4 HA ALA 1 HA ALA 1 -24.271 4.662 31.348
5 1HB ALA 1 1HB ALA 1 -23.585 7.226 32.626
6 2HB ALA 1 2HB ALA 1 -24.002 7.363 30.918
7 3HB ALA 1 3HB ALA 1 -25.145 6.638 32.050
8 H ASP 2 H ASP 2 -23.473 3.941 29.432
9 HA ASP 2 HA ASP 2 -21.746 5.643 27.833
10 1HB ASP 2 1HB ASP 2 -19.963 4.715 29.130
11 2HB ASP 2 2HB ASP 2 -20.652 3.093 29.035
12 H LYS 3 H LYS 3 -21.469 2.201 27.468
13 HA LYS 3 HA LYS 3 -22.511 0.701 25.981
14 1HB LYS 3 1HB LYS 3 -24.546 2.609 26.590
15 2HB LYS 3 2HB LYS 3 -24.596 2.296 24.856
16 1HG LYS 3 1HG LYS 3 -24.773 -0.091 25.228
17 2HG LYS 3 2HG LYS 3 -24.521 0.118 26.963
18 1HD LYS 3 1HD LYS 3 -26.615 1.334 27.173
19 2HD LYS 3 2HD LYS 3 -26.848 1.305 25.425
20 1HE LYS 3 1HE LYS 3 -26.393 -1.377 26.343
21 2HE LYS 3 2HE LYS 3 -27.670 -0.649 27.319
22 1HZ LYS 3 1HZ LYS 3 -27.652 -0.420 24.372
23 2HZ LYS 3 2HZ LYS 3 -28.341 -1.763 25.152
24 3HZ LYS 3 3HZ LYS 3 -28.953 -0.208 25.444
25 H SER 4 H SER 4 -21.085 3.593 25.244
26 HA SER 4 HA SER 4 -21.322 3.145 22.301
27 1HB SER 4 1HB SER 4 -21.921 5.396 22.800
28 2HB SER 4 2HB SER 4 -20.594 5.576 23.944
29 HG SER 4 HG SER 4 -20.574 5.548 21.136
30 H ASP 5 H ASP 5 -19.210 2.885 24.992
31 HA ASP 5 HA ASP 5 -16.787 2.910 23.280
32 1HB ASP 5 1HB ASP 5 -15.530 2.836 25.330
33 2HB ASP 5 2HB ASP 5 -16.961 2.386 26.259
34 H LEU 6 H LEU 6 -19.136 0.721 24.250
35 HA LEU 6 HA LEU 6 -17.301 -1.584 24.444
36 1HB LEU 6 1HB LEU 6 -19.266 -2.878 24.975
37 2HB LEU 6 2HB LEU 6 -20.328 -1.573 24.431
38 HG LEU 6 HG LEU 6 -18.814 -0.229 26.184
39 1HD1 LEU 6 1HD1 LEU 6 -21.431 -1.479 26.185
40 2HD1 LEU 6 2HD1 LEU 6 -20.776 -1.414 27.821
41 3HD1 LEU 6 3HD1 LEU 6 -20.944 0.067 26.878
42 1HD2 LEU 6 1HD2 LEU 6 -17.587 -2.387 26.705
43 2HD2 LEU 6 2HD2 LEU 6 -18.264 -1.560 28.109
44 3HD2 LEU 6 3HD2 LEU 6 -19.083 -2.970 27.437
45 H GLY 7 H GLY 7 -19.847 -0.310 22.364
46 1HA GLY 7 1HA GLY 7 -19.634 -2.430 20.391
47 2HA GLY 7 2HA GLY 7 -20.476 -0.895 20.164
48 H TYR 8 H TYR 8 -18.481 0.960 20.480
49 HA TYR 8 HA TYR 8 -17.174 0.945 18.016
50 1HB TYR 8 1HB TYR 8 -17.354 3.060 18.888
51 2HB TYR 8 2HB TYR 8 -16.975 2.528 20.523
52 HD1 TYR 8 HD1 TYR 8 -15.511 3.199 17.171
53 HD2 TYR 8 HD2 TYR 8 -14.778 2.565 21.350
54 HE1 TYR 8 HE1 TYR 8 -13.153 3.921 16.862
55 HE2 TYR 8 HE2 TYR 8 -12.414 3.283 21.049
56 HH TYR 8 HH TYR 8 -10.967 3.583 18.001
57 H THR 9 H THR 9 -16.348 -0.591 20.996
58 HA THR 9 HA THR 9 -13.531 -0.730 20.847
59 HB THR 9 HB THR 9 -15.230 -3.107 21.626
60 HG1 THR 9 HG1 THR 9 -16.107 -1.316 22.622
61 1HG2 THR 9 1HG2 THR 9 -12.453 -2.207 21.996
62 2HG2 THR 9 2HG2 THR 9 -13.231 -2.768 23.476
63 3HG2 THR 9 3HG2 THR 9 -13.130 -3.835 22.075
64 H GLY 10 H GLY 10 -15.616 -3.455 19.854
65 1HA GLY 10 1HA GLY 10 -13.773 -4.775 18.213
66 2HA GLY 10 2HA GLY 10 -15.511 -4.770 17.879
67 H LEU 11 H LEU 11 -15.866 -2.033 17.445
68 HA LEU 11 HA LEU 11 -15.535 -1.622 14.806
69 1HB LEU 11 1HB LEU 11 -16.155 -0.075 17.072
70 2HB LEU 11 2HB LEU 11 -15.012 0.867 16.114
71 HG LEU 11 HG LEU 11 -16.602 -0.285 14.264
72 1HD1 LEU 11 1HD1 LEU 11 -18.094 -0.884 16.294
73 2HD1 LEU 11 2HD1 LEU 11 -18.502 0.832 16.313
74 3HD1 LEU 11 3HD1 LEU 11 -18.878 -0.148 14.897
75 1HD2 LEU 11 1HD2 LEU 11 -15.869 2.279 15.089
76 2HD2 LEU 11 2HD2 LEU 11 -16.725 1.878 13.601
77 3HD2 LEU 11 3HD2 LEU 11 -17.632 2.322 15.046
78 H THR 12 H THR 12 -13.484 0.279 16.905
79 HA THR 12 HA THR 12 -11.464 1.078 15.396
80 HB THR 12 HB THR 12 -10.845 -0.427 17.931
81 HG1 THR 12 HG1 THR 12 -12.403 1.647 17.410
82 1HG2 THR 12 1HG2 THR 12 -9.339 1.317 16.127
83 2HG2 THR 12 2HG2 THR 12 -9.346 1.912 17.787
84 3HG2 THR 12 3HG2 THR 12 -8.753 0.289 17.434
85 H ASP 13 H ASP 13 -11.908 -2.218 16.205
86 HA ASP 13 HA ASP 13 -9.497 -3.175 15.153
87 1HB ASP 13 1HB ASP 13 -11.249 -4.538 16.430
88 2HB ASP 13 2HB ASP 13 -12.113 -4.649 14.897
89 H GLU 14 H GLU 14 -12.672 -3.082 13.429
90 HA GLU 14 HA GLU 14 -11.077 -3.288 10.972
91 1HB GLU 14 1HB GLU 14 -13.244 -4.510 11.237
92 2HB GLU 14 2HB GLU 14 -13.145 -3.501 9.792
93 1HG GLU 14 1HG GLU 14 -14.107 -1.836 11.864
94 2HG GLU 14 2HG GLU 14 -15.008 -2.431 10.469
95 H GLN 15 H GLN 15 -12.335 -0.732 12.862
96 HA GLN 15 HA GLN 15 -12.638 1.114 10.634
97 1HB GLN 15 1HB GLN 15 -12.216 1.917 13.481
98 2HB GLN 15 2HB GLN 15 -13.124 2.764 12.228
99 1HG GLN 15 1HG GLN 15 -13.924 0.061 13.329
100 2HG GLN 15 2HG GLN 15 -14.539 1.579 13.979
101 2HE2 GLN 15 2HE2 GLN 15 -15.755 -0.745 12.217
102 1HE2 GLN 15 1HE2 GLN 15 -16.575 0.105 10.998
103 H ALA 16 H ALA 16 -10.427 0.263 13.131
104 HA ALA 16 HA ALA 16 -8.386 2.168 12.671
105 1HB ALA 16 1HB ALA 16 -8.164 0.572 14.497
106 2HB ALA 16 2HB ALA 16 -8.163 -0.776 13.362
107 3HB ALA 16 3HB ALA 16 -6.799 0.343 13.401
108 H GLN 17 H GLN 17 -9.436 -0.678 10.916
109 HA GLN 17 HA GLN 17 -7.233 -0.475 8.988
110 1HB GLN 17 1HB GLN 17 -9.061 -2.456 9.732
111 2HB GLN 17 2HB GLN 17 -7.854 -2.560 8.460
112 1HG GLN 17 1HG GLN 17 -10.763 -1.779 8.198
113 2HG GLN 17 2HG GLN 17 -9.587 -1.479 6.918
114 2HE2 GLN 17 2HE2 GLN 17 -10.481 -3.048 5.435
115 1HE2 GLN 17 1HE2 GLN 17 -10.411 -4.718 5.738
116 H GLU 18 H GLU 18 -10.587 0.519 9.301
117 HA GLU 18 HA GLU 18 -11.033 1.393 6.626
118 1HB GLU 18 1HB GLU 18 -12.597 1.456 8.784
119 2HB GLU 18 2HB GLU 18 -11.945 3.088 8.936
120 1HG GLU 18 1HG GLU 18 -13.071 3.847 7.105
121 2HG GLU 18 2HG GLU 18 -12.828 2.344 6.213
122 H LEU 19 H LEU 19 -9.049 2.476 9.209
123 HA LEU 19 HA LEU 19 -8.346 5.022 7.991
124 1HB LEU 19 1HB LEU 19 -8.625 3.964 10.562
125 2HB LEU 19 2HB LEU 19 -6.884 4.079 10.323
126 HG LEU 19 HG LEU 19 -7.980 6.071 11.303
127 1HD1 LEU 19 1HD1 LEU 19 -5.851 5.813 9.615
128 2HD1 LEU 19 2HD1 LEU 19 -6.819 7.007 8.739
129 3HD1 LEU 19 3HD1 LEU 19 -6.294 7.342 10.389
130 1HD2 LEU 19 1HD2 LEU 19 -9.959 5.788 9.631
131 2HD2 LEU 19 2HD2 LEU 19 -9.438 7.421 10.058
132 3HD2 LEU 19 3HD2 LEU 19 -8.928 6.708 8.527
133 H HIS 20 H HIS 20 -7.110 1.768 8.499
134 HA HIS 20 HA HIS 20 -4.517 2.691 7.514
135 1HB HIS 20 1HB HIS 20 -5.463 0.501 9.295
136 2HB HIS 20 2HB HIS 20 -3.898 0.384 8.497
137 HD1 HIS 20 HD1 HIS 20 -2.059 2.087 9.214
138 HD2 HIS 20 HD2 HIS 20 -5.719 2.782 10.999
139 HE1 HIS 20 HE1 HIS 20 -1.625 3.756 11.061
140 H SER 21 H SER 21 -6.417 -0.348 7.308
141 HA SER 21 HA SER 21 -5.351 -1.557 5.135
142 1HB SER 21 1HB SER 21 -8.284 -1.070 5.564
143 2HB SER 21 2HB SER 21 -7.629 -2.237 4.428
144 HG SER 21 HG SER 21 -6.899 -3.460 6.079
145 H VAL 22 H VAL 22 -7.717 0.982 5.036
146 HA VAL 22 HA VAL 22 -7.737 1.136 2.224
147 HB VAL 22 HB VAL 22 -9.378 2.762 2.561
148 1HG1 VAL 22 1HG1 VAL 22 -9.365 0.475 4.162
149 2HG1 VAL 22 2HG1 VAL 22 -9.877 1.777 5.238
150 3HG1 VAL 22 3HG1 VAL 22 -10.775 1.459 3.753
151 1HG2 VAL 22 1HG2 VAL 22 -7.930 4.336 3.841
152 2HG2 VAL 22 2HG2 VAL 22 -9.537 4.185 4.547
153 3HG2 VAL 22 3HG2 VAL 22 -8.171 3.341 5.278
154 H TYR 23 H TYR 23 -6.305 3.204 4.763
155 HA TYR 23 HA TYR 23 -5.203 5.138 2.964
156 1HB TYR 23 1HB TYR 23 -5.549 5.082 5.622
157 2HB TYR 23 2HB TYR 23 -3.854 4.599 5.563
158 HD1 TYR 23 HD1 TYR 23 -3.067 6.078 3.049
159 HD2 TYR 23 HD2 TYR 23 -5.343 7.298 6.479
160 HE1 TYR 23 HE1 TYR 23 -2.413 8.439 2.645
161 HE2 TYR 23 HE2 TYR 23 -4.692 9.655 6.080
162 HH TYR 23 HH TYR 23 -3.852 10.936 3.619
163 H MET 24 H MET 24 -3.369 2.832 4.980
164 HA MET 24 HA MET 24 -0.907 2.948 3.816
165 1HB MET 24 1HB MET 24 -1.576 1.381 5.659
166 2HB MET 24 2HB MET 24 -0.543 0.632 4.441
167 1HG MET 24 1HG MET 24 -3.477 0.494 3.964
168 2HG MET 24 2HG MET 24 -2.229 -0.712 3.651
169 1HE MET 24 1HE MET 24 -0.864 -1.612 5.221
170 2HE MET 24 2HE MET 24 -1.059 -1.709 6.969
171 3HE MET 24 3HE MET 24 -1.831 -2.908 5.921
172 H SER 25 H SER 25 -3.787 1.586 2.337
173 HA SER 25 HA SER 25 -2.534 0.133 0.223
174 1HB SER 25 1HB SER 25 -5.009 0.126 0.854
175 2HB SER 25 2HB SER 25 -5.141 1.655 -0.011
176 HG SER 25 HG SER 25 -3.919 0.243 -1.698
177 H GLY 26 H GLY 26 -3.908 3.444 0.165
178 1HA GLY 26 1HA GLY 26 -2.759 4.089 -2.395
179 2HA GLY 26 2HA GLY 26 -3.400 5.255 -1.239
180 H LEU 27 H LEU 27 -1.494 3.916 0.766
181 HA LEU 27 HA LEU 27 0.572 5.861 0.667
182 1HB LEU 27 1HB LEU 27 -0.174 3.543 2.251
183 2HB LEU 27 2HB LEU 27 1.577 3.701 2.110
184 HG LEU 27 HG LEU 27 1.005 6.261 2.621
185 1HD1 LEU 27 1HD1 LEU 27 -1.445 4.766 3.242
186 2HD1 LEU 27 2HD1 LEU 27 -0.847 5.712 4.606
187 3HD1 LEU 27 3HD1 LEU 27 -1.199 6.505 3.072
188 1HD2 LEU 27 1HD2 LEU 27 2.458 4.686 3.941
189 2HD2 LEU 27 2HD2 LEU 27 1.556 5.820 4.946
190 3HD2 LEU 27 3HD2 LEU 27 1.013 4.149 4.799
191 H TRP 28 H TRP 28 1.086 2.337 0.336
192 HA TRP 28 HA TRP 28 3.548 2.739 -1.098
193 1HB TRP 28 1HB TRP 28 2.739 0.741 0.419
194 2HB TRP 28 2HB TRP 28 2.121 0.113 -1.111
195 HD1 TRP 28 HD1 TRP 28 5.284 2.153 -0.605
196 HE1 TRP 28 HE1 TRP 28 7.322 0.768 -1.391
197 HE3 TRP 28 HE3 TRP 28 2.968 -2.256 -1.658
198 HZ2 TRP 28 HZ2 TRP 28 7.877 -1.878 -2.341
199 HZ3 TRP 28 HZ3 TRP 28 4.263 -4.195 -2.499
200 HH2 TRP 28 HH2 TRP 28 6.712 -4.012 -2.841
201 H LEU 29 H LEU 29 0.512 3.212 -2.154
202 HA LEU 29 HA LEU 29 0.886 1.930 -4.778
203 1HB LEU 29 1HB LEU 29 -1.316 1.618 -4.094
204 2HB LEU 29 2HB LEU 29 -1.380 3.164 -3.253
205 HG LEU 29 HG LEU 29 -1.281 4.279 -5.514
206 1HD1 LEU 29 1HD1 LEU 29 -0.434 1.989 -6.500
207 2HD1 LEU 29 2HD1 LEU 29 -2.159 1.643 -6.644
208 3HD1 LEU 29 3HD1 LEU 29 -1.465 3.035 -7.478
209 1HD2 LEU 29 1HD2 LEU 29 -3.371 3.457 -4.051
210 2HD2 LEU 29 2HD2 LEU 29 -3.578 4.281 -5.598
211 3HD2 LEU 29 3HD2 LEU 29 -3.684 2.522 -5.513
212 H PHE 30 H PHE 30 -0.264 5.175 -3.760
213 HA PHE 30 HA PHE 30 0.467 6.452 -6.113
214 1HB PHE 30 1HB PHE 30 -0.133 7.339 -3.353
215 2HB PHE 30 2HB PHE 30 0.703 8.496 -4.390
216 HD1 PHE 30 HD1 PHE 30 -2.308 6.315 -4.158
217 HD2 PHE 30 HD2 PHE 30 -0.439 9.638 -6.135
218 HE1 PHE 30 HE1 PHE 30 -4.446 6.838 -5.299
219 HE2 PHE 30 HE2 PHE 30 -2.577 10.162 -7.277
220 HZ PHE 30 HZ PHE 30 -4.582 8.761 -6.859
221 H SER 31 H SER 31 2.406 5.295 -3.616
222 HA SER 31 HA SER 31 4.680 7.076 -4.128
223 1HB SER 31 1HB SER 31 4.744 6.342 -1.921
224 2HB SER 31 2HB SER 31 4.146 4.737 -2.330
225 HG SER 31 HG SER 31 6.731 5.823 -2.595
226 H ALA 32 H ALA 32 3.983 3.601 -4.617
227 HA ALA 32 HA ALA 32 6.360 3.166 -6.215
228 1HB ALA 32 1HB ALA 32 3.798 1.537 -6.162
229 2HB ALA 32 2HB ALA 32 5.110 1.351 -4.996
230 3HB ALA 32 3HB ALA 32 5.386 0.987 -6.701
231 H VAL 33 H VAL 33 2.901 3.205 -7.202
232 HA VAL 33 HA VAL 33 3.283 3.274 -9.961
233 HB VAL 33 HB VAL 33 1.424 5.105 -8.549
234 1HG1 VAL 33 1HG1 VAL 33 1.402 3.597 -11.154
235 2HG1 VAL 33 2HG1 VAL 33 -0.093 4.225 -10.461
236 3HG1 VAL 33 3HG1 VAL 33 1.211 5.330 -10.892
237 1HG2 VAL 33 1HG2 VAL 33 1.609 2.233 -8.248
238 2HG2 VAL 33 2HG2 VAL 33 0.558 3.369 -7.401
239 3HG2 VAL 33 3HG2 VAL 33 0.055 2.686 -8.949
240 H ALA 34 H ALA 34 3.427 5.977 -7.617
241 HA ALA 34 HA ALA 34 3.829 8.072 -9.473
242 1HB ALA 34 1HB ALA 34 4.870 7.643 -6.673
243 2HB ALA 34 2HB ALA 34 3.599 8.747 -7.211
244 3HB ALA 34 3HB ALA 34 5.287 9.082 -7.608
245 H ILE 35 H ILE 35 6.171 5.883 -7.929
246 HA ILE 35 HA ILE 35 8.587 6.710 -8.792
247 HB ILE 35 HB ILE 35 7.517 4.442 -7.749
248 1HG1 ILE 35 1HG1 ILE 35 10.106 4.055 -9.033
249 2HG1 ILE 35 2HG1 ILE 35 9.927 5.548 -8.101
250 1HG2 ILE 35 1HG2 ILE 35 8.472 3.733 -10.525
251 2HG2 ILE 35 2HG2 ILE 35 8.065 2.573 -9.255
252 3HG2 ILE 35 3HG2 ILE 35 6.819 3.606 -9.948
253 1HD1 ILE 35 1HD1 ILE 35 8.962 4.078 -6.230
254 2HD1 ILE 35 2HD1 ILE 35 9.620 2.707 -7.126
255 3HD1 ILE 35 3HD1 ILE 35 10.701 3.956 -6.506
256 H VAL 36 H VAL 36 6.075 5.093 -10.613
257 HA VAL 36 HA VAL 36 7.689 5.175 -13.072
258 HB VAL 36 HB VAL 36 4.783 4.412 -12.801
259 1HG1 VAL 36 1HG1 VAL 36 6.790 4.374 -14.902
260 2HG1 VAL 36 2HG1 VAL 36 6.207 2.744 -14.564
261 3HG1 VAL 36 3HG1 VAL 36 5.067 4.014 -15.008
262 1HG2 VAL 36 1HG2 VAL 36 7.289 3.135 -11.825
263 2HG2 VAL 36 2HG2 VAL 36 5.633 2.968 -11.234
264 3HG2 VAL 36 3HG2 VAL 36 6.150 2.068 -12.661
265 H ALA 37 H ALA 37 4.973 6.866 -11.658
266 HA ALA 37 HA ALA 37 4.117 8.394 -13.800
267 1HB ALA 37 1HB ALA 37 4.531 9.511 -11.020
268 2HB ALA 37 2HB ALA 37 3.200 8.420 -11.413
269 3HB ALA 37 3HB ALA 37 3.315 9.995 -12.201
270 H HIS 38 H HIS 38 7.084 8.408 -12.000
271 HA HIS 38 HA HIS 38 7.948 10.996 -13.095
272 1HB HIS 38 1HB HIS 38 9.779 10.838 -11.674
273 2HB HIS 38 2HB HIS 38 9.841 9.079 -11.789
274 HD1 HIS 38 HD1 HIS 38 9.403 8.222 -9.488
275 HD2 HIS 38 HD2 HIS 38 6.819 11.338 -10.486
276 HE1 HIS 38 HE1 HIS 38 7.780 8.453 -7.557
277 H LEU 39 H LEU 39 9.182 7.640 -13.284
278 HA LEU 39 HA LEU 39 10.878 8.188 -15.537
279 1HB LEU 39 1HB LEU 39 11.213 5.807 -15.650
280 2HB LEU 39 2HB LEU 39 9.718 5.500 -14.766
281 HG LEU 39 HG LEU 39 10.712 6.719 -12.803
282 1HD1 LEU 39 1HD1 LEU 39 11.963 4.232 -13.951
283 2HD1 LEU 39 2HD1 LEU 39 12.509 4.872 -12.401
284 3HD1 LEU 39 3HD1 LEU 39 10.828 4.381 -12.610
285 1HD2 LEU 39 1HD2 LEU 39 12.365 8.015 -14.181
286 2HD2 LEU 39 2HD2 LEU 39 13.099 7.195 -12.803
287 3HD2 LEU 39 3HD2 LEU 39 13.269 6.521 -14.424
288 H ALA 40 H ALA 40 7.937 6.173 -15.413
289 HA ALA 40 HA ALA 40 7.361 5.690 -18.009
290 1HB ALA 40 1HB ALA 40 5.847 5.784 -15.692
291 2HB ALA 40 2HB ALA 40 5.278 5.235 -17.269
292 3HB ALA 40 3HB ALA 40 5.011 6.905 -16.765
293 H VAL 41 H VAL 41 6.625 8.851 -16.480
294 HA VAL 41 HA VAL 41 5.457 10.140 -18.662
295 HB VAL 41 HB VAL 41 7.346 11.211 -16.558
296 1HG1 VAL 41 1HG1 VAL 41 6.195 12.501 -18.959
297 2HG1 VAL 41 2HG1 VAL 41 5.945 13.380 -17.451
298 3HG1 VAL 41 3HG1 VAL 41 7.580 12.981 -17.978
299 1HG2 VAL 41 1HG2 VAL 41 4.968 10.273 -16.077
300 2HG2 VAL 41 2HG2 VAL 41 5.378 11.863 -15.430
301 3HG2 VAL 41 3HG2 VAL 41 4.394 11.732 -16.887
302 H TYR 42 H TYR 42 8.970 10.070 -17.943
303 HA TYR 42 HA TYR 42 9.742 11.378 -20.361
304 1HB TYR 42 1HB TYR 42 11.217 9.480 -18.517
305 2HB TYR 42 2HB TYR 42 11.985 10.255 -19.904
306 HD1 TYR 42 HD1 TYR 42 10.077 10.992 -16.769
307 HD2 TYR 42 HD2 TYR 42 12.794 12.466 -19.755
308 HE1 TYR 42 HE1 TYR 42 10.429 13.052 -15.435
309 HE2 TYR 42 HE2 TYR 42 13.146 14.524 -18.419
310 HH TYR 42 HH TYR 42 12.889 15.391 -16.278
311 H ILE 43 H ILE 43 9.468 7.927 -19.517
312 HA ILE 43 HA ILE 43 10.244 6.986 -22.139
313 HB ILE 43 HB ILE 43 8.852 5.732 -19.769
314 1HG1 ILE 43 1HG1 ILE 43 11.445 4.990 -21.140
315 2HG1 ILE 43 2HG1 ILE 43 11.366 6.201 -19.861
316 1HG2 ILE 43 1HG2 ILE 43 9.084 4.725 -22.569
317 2HG2 ILE 43 2HG2 ILE 43 9.394 3.578 -21.266
318 3HG2 ILE 43 3HG2 ILE 43 7.839 4.407 -21.360
319 1HD1 ILE 43 1HD1 ILE 43 10.014 4.276 -18.611
320 2HD1 ILE 43 2HD1 ILE 43 10.939 3.246 -19.703
321 3HD1 ILE 43 3HD1 ILE 43 11.776 4.319 -18.582
322 H TRP 44 H TRP 44 7.523 8.636 -21.110
323 HA TRP 44 HA TRP 44 5.808 7.374 -23.203
324 1HB TRP 44 1HB TRP 44 5.263 8.503 -20.533
325 2HB TRP 44 2HB TRP 44 4.143 9.037 -21.784
326 HD1 TRP 44 HD1 TRP 44 5.522 5.806 -20.213
327 HE1 TRP 44 HE1 TRP 44 3.785 3.932 -20.556
328 HE3 TRP 44 HE3 TRP 44 2.120 8.277 -23.111
329 HZ2 TRP 44 HZ2 TRP 44 1.282 3.535 -21.884
330 HZ3 TRP 44 HZ3 TRP 44 0.071 7.130 -23.900
331 HH2 TRP 44 HH2 TRP 44 -0.353 4.764 -23.290
332 H ARG 45 H ARG 45 7.968 9.638 -23.201
333 HA ARG 45 HA ARG 45 6.822 12.131 -23.761
334 1HB ARG 45 1HB ARG 45 9.332 10.826 -24.226
335 2HB ARG 45 2HB ARG 45 8.865 11.671 -25.703
336 1HG ARG 45 1HG ARG 45 9.891 13.413 -24.583
337 2HG ARG 45 2HG ARG 45 8.251 13.600 -23.959
338 1HD ARG 45 1HD ARG 45 8.965 12.006 -22.072
339 2HD ARG 45 2HD ARG 45 10.619 12.289 -22.616
340 HE ARG 45 HE ARG 45 10.386 14.619 -21.958
341 1HH1 ARG 45 1HH1 ARG 45 7.269 13.362 -22.067
342 2HH1 ARG 45 2HH1 ARG 45 6.730 14.108 -20.599
343 1HH2 ARG 45 1HH2 ARG 45 9.878 15.261 -19.717
344 2HH2 ARG 45 2HH2 ARG 45 8.207 15.181 -19.268
345 1HB PRO 46 1HB PRO 46 5.731 13.775 -29.157
346 2HB PRO 46 2HB PRO 46 4.634 14.047 -27.792
347 1HG PRO 46 1HG PRO 46 6.363 15.330 -26.951
348 2HG PRO 46 2HG PRO 46 7.573 14.527 -27.964
349 1HD PRO 46 1HD PRO 46 8.166 13.341 -26.090
350 2HD PRO 46 2HD PRO 46 6.724 13.882 -25.207
351 H TRP 47 H TRP 47 5.040 10.021 -28.903
352 HA TRP 47 HA TRP 47 7.309 10.089 -30.809
353 1HB TRP 47 1HB TRP 47 6.711 7.624 -29.152
354 2HB TRP 47 2HB TRP 47 8.064 7.874 -30.255
355 HD1 TRP 47 HD1 TRP 47 7.231 8.051 -26.700
356 HE1 TRP 47 HE1 TRP 47 9.006 9.393 -25.397
357 HE3 TRP 47 HE3 TRP 47 9.709 10.254 -30.588
358 HZ2 TRP 47 HZ2 TRP 47 11.188 11.165 -25.931
359 HZ3 TRP 47 HZ3 TRP 47 11.629 11.762 -30.162
360 HH2 TRP 47 HH2 TRP 47 12.370 12.220 -27.841
361 H PHE 48 H PHE 48 4.476 8.243 -29.665
362 HA PHE 48 HA PHE 48 2.915 6.979 -30.899
363 1HB PHE 48 1HB PHE 48 2.896 9.713 -31.634
364 2HB PHE 48 2HB PHE 48 2.694 8.794 -33.127
365 HD1 PHE 48 HD1 PHE 48 1.419 9.042 -29.618
366 HD2 PHE 48 HD2 PHE 48 0.609 7.837 -33.661
367 HE1 PHE 48 HE1 PHE 48 -0.937 8.565 -29.004
368 HE2 PHE 48 HE2 PHE 48 -1.746 7.360 -33.048
369 HZ PHE 48 HZ PHE 48 -2.519 7.725 -30.719
No H/Q in entry = 369
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 -36.850 10.983 -6.206
2 H2 ALA 1 H2 ALA 1 -37.440 10.505 -7.726
3 H3 ALA 1 H3 ALA 1 -38.524 10.838 -6.464
4 HA ALA 1 HA ALA 1 -38.459 8.747 -5.790
5 1HB ALA 1 1HB ALA 1 -38.042 8.378 -8.258
6 2HB ALA 1 2HB ALA 1 -36.320 8.282 -7.885
7 3HB ALA 1 3HB ALA 1 -37.435 7.091 -7.216
8 H ASP 2 H ASP 2 -37.608 8.493 -3.775
9 HA ASP 2 HA ASP 2 -34.701 8.903 -3.364
10 1HB ASP 2 1HB ASP 2 -36.946 8.374 -1.390
11 2HB ASP 2 2HB ASP 2 -35.270 8.705 -0.954
12 H LYS 3 H LYS 3 -33.316 7.198 -3.194
13 HA LYS 3 HA LYS 3 -33.904 4.704 -1.982
14 1HB LYS 3 1HB LYS 3 -35.422 4.486 -3.968
15 2HB LYS 3 2HB LYS 3 -34.180 3.236 -3.898
16 1HG LYS 3 1HG LYS 3 -33.635 5.780 -5.399
17 2HG LYS 3 2HG LYS 3 -34.619 4.526 -6.154
18 1HD LYS 3 1HD LYS 3 -32.270 3.373 -4.902
19 2HD LYS 3 2HD LYS 3 -31.810 4.632 -6.047
20 1HE LYS 3 1HE LYS 3 -33.842 2.521 -6.770
21 2HE LYS 3 2HE LYS 3 -32.114 2.230 -6.966
22 1HZ LYS 3 1HZ LYS 3 -32.282 4.590 -8.113
23 2HZ LYS 3 2HZ LYS 3 -32.553 3.149 -8.971
24 3HZ LYS 3 3HZ LYS 3 -33.869 4.060 -8.410
25 H SER 4 H SER 4 -32.120 6.392 -4.479
26 HA SER 4 HA SER 4 -29.850 4.669 -4.600
27 1HB SER 4 1HB SER 4 -30.576 7.287 -5.581
28 2HB SER 4 2HB SER 4 -28.927 7.314 -4.964
29 HG SER 4 HG SER 4 -29.473 6.546 -7.261
30 H ASP 5 H ASP 5 -30.969 6.639 -2.058
31 HA ASP 5 HA ASP 5 -28.376 7.285 -0.902
32 1HB ASP 5 1HB ASP 5 -31.030 8.049 -0.431
33 2HB ASP 5 2HB ASP 5 -30.559 7.160 1.017
34 H LEU 6 H LEU 6 -30.807 4.737 -0.386
35 HA LEU 6 HA LEU 6 -29.666 3.487 1.870
36 1HB LEU 6 1HB LEU 6 -30.777 1.455 1.146
37 2HB LEU 6 2HB LEU 6 -30.888 2.064 -0.510
38 HG LEU 6 HG LEU 6 -32.010 4.109 0.807
39 1HD1 LEU 6 1HD1 LEU 6 -33.090 1.616 -0.424
40 2HD1 LEU 6 2HD1 LEU 6 -34.235 2.649 0.431
41 3HD1 LEU 6 3HD1 LEU 6 -33.304 3.294 -0.922
42 1HD2 LEU 6 1HD2 LEU 6 -31.710 2.797 2.965
43 2HD2 LEU 6 2HD2 LEU 6 -33.349 3.369 2.655
44 3HD2 LEU 6 3HD2 LEU 6 -32.934 1.681 2.357
45 H GLY 7 H GLY 7 -28.890 3.256 -1.536
46 1HA GLY 7 1HA GLY 7 -26.820 1.243 -1.209
47 2HA GLY 7 2HA GLY 7 -27.072 2.235 -2.649
48 H TYR 8 H TYR 8 -26.789 4.793 -1.617
49 HA TYR 8 HA TYR 8 -24.034 5.160 -1.572
50 1HB TYR 8 1HB TYR 8 -25.161 7.073 -2.150
51 2HB TYR 8 2HB TYR 8 -26.414 6.812 -0.944
52 HD1 TYR 8 HD1 TYR 8 -22.787 7.717 -1.293
53 HD2 TYR 8 HD2 TYR 8 -26.365 7.922 1.079
54 HE1 TYR 8 HE1 TYR 8 -21.682 9.328 0.241
55 HE2 TYR 8 HE2 TYR 8 -25.257 9.530 2.618
56 HH TYR 8 HH TYR 8 -23.462 10.882 2.879
57 H THR 9 H THR 9 -26.145 4.149 0.911
58 HA THR 9 HA THR 9 -24.621 5.065 3.177
59 HB THR 9 HB THR 9 -26.208 2.502 3.184
60 HG1 THR 9 HG1 THR 9 -27.512 3.931 2.117
61 1HG2 THR 9 1HG2 THR 9 -25.079 4.326 5.123
62 2HG2 THR 9 2HG2 THR 9 -26.822 4.192 5.348
63 3HG2 THR 9 3HG2 THR 9 -25.815 2.745 5.384
64 H GLY 10 H GLY 10 -24.703 2.040 1.318
65 1HA GLY 10 1HA GLY 10 -22.424 0.903 2.763
66 2HA GLY 10 2HA GLY 10 -23.184 0.218 1.321
67 H LEU 11 H LEU 11 -22.861 1.854 -0.683
68 HA LEU 11 HA LEU 11 -20.214 1.830 -1.451
69 1HB LEU 11 1HB LEU 11 -21.136 2.610 -3.362
70 2HB LEU 11 2HB LEU 11 -22.660 2.776 -2.502
71 HG LEU 11 HG LEU 11 -21.542 5.030 -1.670
72 1HD1 LEU 11 1HD1 LEU 11 -19.401 4.562 -2.834
73 2HD1 LEU 11 2HD1 LEU 11 -20.258 4.508 -4.372
74 3HD1 LEU 11 3HD1 LEU 11 -20.168 6.019 -3.466
75 1HD2 LEU 11 1HD2 LEU 11 -23.544 4.386 -3.382
76 2HD2 LEU 11 2HD2 LEU 11 -23.043 6.050 -3.082
77 3HD2 LEU 11 3HD2 LEU 11 -22.443 5.191 -4.501
78 H THR 12 H THR 12 -21.900 4.168 0.541
79 HA THR 12 HA THR 12 -20.115 6.240 0.606
80 HB THR 12 HB THR 12 -21.999 5.045 2.534
81 HG1 THR 12 HG1 THR 12 -21.388 7.358 1.260
82 1HG2 THR 12 1HG2 THR 12 -19.516 6.456 3.425
83 2HG2 THR 12 2HG2 THR 12 -21.032 6.893 4.213
84 3HG2 THR 12 3HG2 THR 12 -20.462 5.225 4.260
85 H ASP 13 H ASP 13 -20.093 3.845 3.045
86 HA ASP 13 HA ASP 13 -17.676 4.038 4.184
87 1HB ASP 13 1HB ASP 13 -19.447 1.826 3.702
88 2HB ASP 13 2HB ASP 13 -17.772 1.278 3.607
89 H GLU 14 H GLU 14 -18.107 2.918 0.875
90 HA GLU 14 HA GLU 14 -15.251 2.318 0.743
91 1HB GLU 14 1HB GLU 14 -17.505 1.658 -0.838
92 2HB GLU 14 2HB GLU 14 -16.399 2.576 -1.861
93 1HG GLU 14 1HG GLU 14 -15.272 0.628 -2.119
94 2HG GLU 14 2HG GLU 14 -14.692 0.909 -0.477
95 H GLN 15 H GLN 15 -17.424 4.845 -0.556
96 HA GLN 15 HA GLN 15 -15.393 6.329 -1.907
97 1HB GLN 15 1HB GLN 15 -16.928 8.161 -1.905
98 2HB GLN 15 2HB GLN 15 -17.793 7.493 -0.521
99 1HG GLN 15 1HG GLN 15 -17.816 5.444 -2.398
100 2HG GLN 15 2HG GLN 15 -19.166 6.500 -1.983
101 2HE2 GLN 15 2HE2 GLN 15 -19.080 8.730 -3.222
102 1HE2 GLN 15 1HE2 GLN 15 -18.624 8.656 -4.856
103 H ALA 16 H ALA 16 -16.696 6.420 1.269
104 HA ALA 16 HA ALA 16 -15.300 8.555 2.408
105 1HB ALA 16 1HB ALA 16 -16.473 7.752 4.172
106 2HB ALA 16 2HB ALA 16 -16.805 6.268 3.270
107 3HB ALA 16 3HB ALA 16 -15.350 6.393 4.268
108 H GLN 17 H GLN 17 -14.350 5.334 1.462
109 HA GLN 17 HA GLN 17 -11.663 5.622 2.658
110 1HB GLN 17 1HB GLN 17 -12.977 3.457 1.018
111 2HB GLN 17 2HB GLN 17 -11.275 3.413 1.476
112 1HG GLN 17 1HG GLN 17 -12.095 3.795 3.884
113 2HG GLN 17 2HG GLN 17 -13.692 3.363 3.276
114 2HE2 GLN 17 2HE2 GLN 17 -13.540 1.213 1.795
115 1HE2 GLN 17 1HE2 GLN 17 -12.641 -0.049 2.488
116 H GLU 18 H GLU 18 -13.273 6.071 -0.398
117 HA GLU 18 HA GLU 18 -11.160 5.943 -2.235
118 1HB GLU 18 1HB GLU 18 -13.685 6.662 -2.539
119 2HB GLU 18 2HB GLU 18 -13.043 8.288 -2.307
120 1HG GLU 18 1HG GLU 18 -11.292 7.637 -4.096
121 2HG GLU 18 2HG GLU 18 -12.935 7.968 -4.646
122 H LEU 19 H LEU 19 -11.714 8.056 0.422
123 HA LEU 19 HA LEU 19 -9.431 9.770 -0.410
124 1HB LEU 19 1HB LEU 19 -10.306 11.452 1.027
125 2HB LEU 19 2HB LEU 19 -11.692 10.834 0.136
126 HG LEU 19 HG LEU 19 -11.591 9.157 2.315
127 1HD1 LEU 19 1HD1 LEU 19 -10.062 11.506 2.949
128 2HD1 LEU 19 2HD1 LEU 19 -11.545 11.519 3.905
129 3HD1 LEU 19 3HD1 LEU 19 -10.453 10.137 3.991
130 1HD2 LEU 19 1HD2 LEU 19 -13.110 11.715 1.774
131 2HD2 LEU 19 2HD2 LEU 19 -13.659 10.054 1.543
132 3HD2 LEU 19 3HD2 LEU 19 -13.466 10.701 3.172
133 H HIS 20 H HIS 20 -10.677 7.565 1.970
134 HA HIS 20 HA HIS 20 -8.479 8.063 3.834
135 1HB HIS 20 1HB HIS 20 -11.089 6.894 3.965
136 2HB HIS 20 2HB HIS 20 -9.886 5.752 4.560
137 HD1 HIS 20 HD1 HIS 20 -8.542 6.405 6.679
138 HD2 HIS 20 HD2 HIS 20 -11.265 9.302 5.442
139 HE1 HIS 20 HE1 HIS 20 -8.705 8.083 8.574
140 H SER 21 H SER 21 -9.754 4.878 2.911
141 HA SER 21 HA SER 21 -7.622 3.299 3.249
142 1HB SER 21 1HB SER 21 -9.315 3.277 0.762
143 2HB SER 21 2HB SER 21 -8.217 1.984 1.213
144 HG SER 21 HG SER 21 -10.264 1.486 1.983
145 H VAL 22 H VAL 22 -8.182 4.488 0.056
146 HA VAL 22 HA VAL 22 -5.813 4.089 -1.147
147 HB VAL 22 HB VAL 22 -7.402 5.132 -2.493
148 1HG1 VAL 22 1HG1 VAL 22 -8.154 6.340 0.003
149 2HG1 VAL 22 2HG1 VAL 22 -8.025 7.606 -1.219
150 3HG1 VAL 22 3HG1 VAL 22 -9.093 6.226 -1.487
151 1HG2 VAL 22 1HG2 VAL 22 -5.598 7.417 -1.637
152 2HG2 VAL 22 2HG2 VAL 22 -5.266 6.259 -2.925
153 3HG2 VAL 22 3HG2 VAL 22 -6.592 7.410 -3.094
154 H TYR 23 H TYR 23 -6.628 6.875 0.878
155 HA TYR 23 HA TYR 23 -4.262 8.333 0.908
156 1HB TYR 23 1HB TYR 23 -6.560 8.378 2.376
157 2HB TYR 23 2HB TYR 23 -5.402 7.849 3.586
158 HD1 TYR 23 HD1 TYR 23 -2.928 9.176 2.669
159 HD2 TYR 23 HD2 TYR 23 -6.963 10.641 2.904
160 HE1 TYR 23 HE1 TYR 23 -2.079 11.505 2.885
161 HE2 TYR 23 HE2 TYR 23 -6.124 12.957 3.119
162 HH TYR 23 HH TYR 23 -2.770 13.650 3.662
163 H MET 24 H MET 24 -5.065 5.783 3.296
164 HA MET 24 HA MET 24 -2.308 5.668 4.198
165 1HB MET 24 1HB MET 24 -4.866 4.661 5.051
166 2HB MET 24 2HB MET 24 -3.693 3.340 5.038
167 1HG MET 24 1HG MET 24 -2.179 5.295 6.145
168 2HG MET 24 2HG MET 24 -3.773 5.782 6.719
169 1HE MET 24 1HE MET 24 -3.312 5.670 8.877
170 2HE MET 24 2HE MET 24 -4.746 4.652 9.061
171 3HE MET 24 3HE MET 24 -3.261 4.251 9.919
172 H SER 25 H SER 25 -4.097 2.738 3.316
173 HA SER 25 HA SER 25 -1.815 1.356 2.383
174 1HB SER 25 1HB SER 25 -3.688 0.013 2.865
175 2HB SER 25 2HB SER 25 -4.766 1.009 1.892
176 HG SER 25 HG SER 25 -2.572 -0.284 0.701
177 H GLY 26 H GLY 26 -4.195 3.269 0.552
178 1HA GLY 26 1HA GLY 26 -3.221 2.692 -2.049
179 2HA GLY 26 2HA GLY 26 -4.035 4.190 -1.604
180 H LEU 27 H LEU 27 -2.017 4.787 0.464
181 HA LEU 27 HA LEU 27 -0.273 6.432 -1.035
182 1HB LEU 27 1HB LEU 27 -0.821 5.919 1.664
183 2HB LEU 27 2HB LEU 27 0.899 5.584 1.477
184 HG LEU 27 HG LEU 27 1.162 7.797 0.340
185 1HD1 LEU 27 1HD1 LEU 27 -1.492 7.712 -0.086
186 2HD1 LEU 27 2HD1 LEU 27 -1.486 8.660 1.401
187 3HD1 LEU 27 3HD1 LEU 27 -0.602 9.232 -0.013
188 1HD2 LEU 27 1HD2 LEU 27 0.155 7.532 3.158
189 2HD2 LEU 27 2HD2 LEU 27 1.777 7.924 2.588
190 3HD2 LEU 27 3HD2 LEU 27 0.501 9.139 2.517
191 H TRP 28 H TRP 28 0.441 3.303 0.574
192 HA TRP 28 HA TRP 28 3.074 3.064 -0.340
193 1HB TRP 28 1HB TRP 28 1.610 1.562 1.302
194 2HB TRP 28 2HB TRP 28 1.404 0.607 -0.165
195 HD1 TRP 28 HD1 TRP 28 4.374 1.853 -1.023
196 HE1 TRP 28 HE1 TRP 28 6.442 0.497 -0.227
197 HE3 TRP 28 HE3 TRP 28 2.211 -0.864 2.678
198 HZ2 TRP 28 HZ2 TRP 28 7.055 -1.492 1.750
199 HZ3 TRP 28 HZ3 TRP 28 3.536 -2.481 4.009
200 HH2 TRP 28 HH2 TRP 28 5.953 -2.798 3.550
201 H LEU 29 H LEU 29 0.164 2.863 -2.040
202 HA LEU 29 HA LEU 29 1.367 1.352 -4.278
203 1HB LEU 29 1HB LEU 29 -0.774 0.688 -4.526
204 2HB LEU 29 2HB LEU 29 -1.302 1.828 -3.297
205 HG LEU 29 HG LEU 29 -1.121 3.587 -5.259
206 1HD1 LEU 29 1HD1 LEU 29 -0.119 1.640 -6.706
207 2HD1 LEU 29 2HD1 LEU 29 -1.805 1.160 -6.895
208 3HD1 LEU 29 3HD1 LEU 29 -1.276 2.750 -7.439
209 1HD2 LEU 29 1HD2 LEU 29 -3.164 2.508 -4.009
210 2HD2 LEU 29 2HD2 LEU 29 -3.430 3.386 -5.517
211 3HD2 LEU 29 3HD2 LEU 29 -3.377 1.623 -5.522
212 H PHE 30 H PHE 30 0.519 4.636 -3.385
213 HA PHE 30 HA PHE 30 0.971 5.651 -6.030
214 1HB PHE 30 1HB PHE 30 -0.557 6.610 -4.086
215 2HB PHE 30 2HB PHE 30 0.933 7.451 -3.659
216 HD1 PHE 30 HD1 PHE 30 -0.876 6.572 -6.837
217 HD2 PHE 30 HD2 PHE 30 1.103 9.599 -4.521
218 HE1 PHE 30 HE1 PHE 30 -1.284 8.222 -8.644
219 HE2 PHE 30 HE2 PHE 30 0.695 11.249 -6.326
220 HZ PHE 30 HZ PHE 30 -0.498 10.559 -8.389
221 H SER 31 H SER 31 2.859 4.765 -3.435
222 HA SER 31 HA SER 31 5.030 6.682 -3.900
223 1HB SER 31 1HB SER 31 4.700 5.770 -1.640
224 2HB SER 31 2HB SER 31 4.925 4.133 -2.249
225 HG SER 31 HG SER 31 6.975 4.463 -1.999
226 H ALA 32 H ALA 32 3.898 3.827 -5.313
227 HA ALA 32 HA ALA 32 6.567 3.245 -6.549
228 1HB ALA 32 1HB ALA 32 4.337 1.564 -5.611
229 2HB ALA 32 2HB ALA 32 6.006 1.112 -5.968
230 3HB ALA 32 3HB ALA 32 4.819 1.197 -7.271
231 H VAL 33 H VAL 33 3.064 3.476 -7.294
232 HA VAL 33 HA VAL 33 3.395 3.533 -10.126
233 HB VAL 33 HB VAL 33 1.357 4.963 -8.457
234 1HG1 VAL 33 1HG1 VAL 33 1.858 5.408 -11.053
235 2HG1 VAL 33 2HG1 VAL 33 0.805 3.998 -11.216
236 3HG1 VAL 33 3HG1 VAL 33 0.218 5.446 -10.395
237 1HG2 VAL 33 1HG2 VAL 33 1.761 2.147 -9.069
238 2HG2 VAL 33 2HG2 VAL 33 0.616 2.883 -7.949
239 3HG2 VAL 33 3HG2 VAL 33 0.196 2.712 -9.653
240 H ALA 34 H ALA 34 3.468 6.065 -7.636
241 HA ALA 34 HA ALA 34 3.585 8.323 -9.337
242 1HB ALA 34 1HB ALA 34 4.866 7.692 -6.682
243 2HB ALA 34 2HB ALA 34 3.572 8.847 -7.029
244 3HB ALA 34 3HB ALA 34 5.229 9.200 -7.529
245 H ILE 35 H ILE 35 6.200 6.420 -7.928
246 HA ILE 35 HA ILE 35 8.417 7.435 -9.172
247 HB ILE 35 HB ILE 35 8.125 4.477 -9.287
248 1HG1 ILE 35 1HG1 ILE 35 7.903 6.103 -6.766
249 2HG1 ILE 35 2HG1 ILE 35 6.871 4.789 -7.340
250 1HG2 ILE 35 1HG2 ILE 35 10.122 6.258 -9.477
251 2HG2 ILE 35 2HG2 ILE 35 10.172 5.935 -7.743
252 3HG2 ILE 35 3HG2 ILE 35 10.369 4.609 -8.893
253 1HD1 ILE 35 1HD1 ILE 35 9.078 3.374 -7.247
254 2HD1 ILE 35 2HD1 ILE 35 9.630 4.640 -6.150
255 3HD1 ILE 35 3HD1 ILE 35 8.199 3.689 -5.752
256 H VAL 36 H VAL 36 5.846 5.483 -10.519
257 HA VAL 36 HA VAL 36 7.215 5.068 -13.046
258 HB VAL 36 HB VAL 36 4.230 4.976 -12.599
259 1HG1 VAL 36 1HG1 VAL 36 6.053 4.307 -14.726
260 2HG1 VAL 36 2HG1 VAL 36 5.260 2.836 -14.155
261 3HG1 VAL 36 3HG1 VAL 36 4.291 4.201 -14.713
262 1HG2 VAL 36 1HG2 VAL 36 5.779 3.736 -10.837
263 2HG2 VAL 36 2HG2 VAL 36 4.402 2.888 -11.548
264 3HG2 VAL 36 3HG2 VAL 36 6.027 2.601 -12.167
265 H ALA 37 H ALA 37 4.637 7.222 -11.904
266 HA ALA 37 HA ALA 37 4.166 8.701 -14.165
267 1HB ALA 37 1HB ALA 37 4.517 10.097 -11.530
268 2HB ALA 37 2HB ALA 37 3.220 8.917 -11.724
269 3HB ALA 37 3HB ALA 37 3.275 10.348 -12.757
270 H HIS 38 H HIS 38 6.983 8.701 -12.023
271 HA HIS 38 HA HIS 38 8.123 11.068 -13.291
272 1HB HIS 38 1HB HIS 38 9.904 10.834 -11.789
273 2HB HIS 38 2HB HIS 38 9.740 9.079 -11.725
274 HD1 HIS 38 HD1 HIS 38 9.591 9.284 -9.079
275 HD2 HIS 38 HD2 HIS 38 6.457 11.085 -11.156
276 HE1 HIS 38 HE1 HIS 38 7.765 9.725 -7.379
277 H LEU 39 H LEU 39 8.697 7.562 -13.444
278 HA LEU 39 HA LEU 39 10.624 7.916 -15.620
279 1HB LEU 39 1HB LEU 39 9.462 5.285 -14.705
280 2HB LEU 39 2HB LEU 39 11.036 5.589 -15.442
281 HG LEU 39 HG LEU 39 10.224 6.677 -12.736
282 1HD1 LEU 39 1HD1 LEU 39 10.324 4.137 -12.881
283 2HD1 LEU 39 2HD1 LEU 39 12.030 4.313 -13.287
284 3HD1 LEU 39 3HD1 LEU 39 11.434 4.871 -11.725
285 1HD2 LEU 39 1HD2 LEU 39 12.563 6.903 -14.515
286 2HD2 LEU 39 2HD2 LEU 39 12.054 7.950 -13.191
287 3HD2 LEU 39 3HD2 LEU 39 12.966 6.478 -12.851
288 H ALA 40 H ALA 40 7.719 5.864 -15.310
289 HA ALA 40 HA ALA 40 7.145 5.273 -17.898
290 1HB ALA 40 1HB ALA 40 5.495 4.502 -16.491
291 2HB ALA 40 2HB ALA 40 5.370 6.034 -15.624
292 3HB ALA 40 3HB ALA 40 4.648 5.864 -17.225
293 H VAL 41 H VAL 41 6.675 8.493 -16.440
294 HA VAL 41 HA VAL 41 5.343 9.569 -18.763
295 HB VAL 41 HB VAL 41 6.727 10.854 -16.405
296 1HG1 VAL 41 1HG1 VAL 41 5.868 12.012 -18.964
297 2HG1 VAL 41 2HG1 VAL 41 5.125 12.787 -17.565
298 3HG1 VAL 41 3HG1 VAL 41 6.882 12.710 -17.701
299 1HG2 VAL 41 1HG2 VAL 41 4.463 9.581 -16.283
300 2HG2 VAL 41 2HG2 VAL 41 4.534 11.204 -15.592
301 3HG2 VAL 41 3HG2 VAL 41 3.812 10.954 -17.182
302 H TYR 42 H TYR 42 8.676 10.035 -17.518
303 HA TYR 42 HA TYR 42 9.631 11.449 -19.790
304 1HB TYR 42 1HB TYR 42 11.065 9.649 -17.818
305 2HB TYR 42 2HB TYR 42 11.898 10.617 -19.034
306 HD1 TYR 42 HD1 TYR 42 10.286 13.074 -19.091
307 HD2 TYR 42 HD2 TYR 42 11.557 10.687 -15.756
308 HE1 TYR 42 HE1 TYR 42 10.148 15.063 -17.617
309 HE2 TYR 42 HE2 TYR 42 11.418 12.676 -14.279
310 HH TYR 42 HH TYR 42 9.896 15.586 -15.258
311 H ILE 43 H ILE 43 8.724 8.187 -19.407
312 HA ILE 43 HA ILE 43 10.362 7.220 -21.665
313 HB ILE 43 HB ILE 43 8.499 5.948 -19.664
314 1HG1 ILE 43 1HG1 ILE 43 11.048 4.676 -20.365
315 2HG1 ILE 43 2HG1 ILE 43 11.236 6.331 -19.785
316 1HG2 ILE 43 1HG2 ILE 43 8.914 5.095 -22.423
317 2HG2 ILE 43 2HG2 ILE 43 9.464 3.877 -21.272
318 3HG2 ILE 43 3HG2 ILE 43 7.801 4.460 -21.209
319 1HD1 ILE 43 1HD1 ILE 43 9.293 4.843 -18.200
320 2HD1 ILE 43 2HD1 ILE 43 10.877 4.067 -18.195
321 3HD1 ILE 43 3HD1 ILE 43 10.714 5.742 -17.669
322 H TRP 44 H TRP 44 7.083 8.228 -20.919
323 HA TRP 44 HA TRP 44 6.193 7.398 -23.629
324 1HB TRP 44 1HB TRP 44 4.773 8.195 -21.103
325 2HB TRP 44 2HB TRP 44 3.940 8.337 -22.651
326 HD1 TRP 44 HD1 TRP 44 5.919 5.676 -20.665
327 HE1 TRP 44 HE1 TRP 44 4.889 3.366 -21.171
328 HE3 TRP 44 HE3 TRP 44 2.376 7.025 -24.082
329 HZ2 TRP 44 HZ2 TRP 44 2.831 2.242 -22.811
330 HZ3 TRP 44 HZ3 TRP 44 0.895 5.319 -25.099
331 HH2 TRP 44 HH2 TRP 44 1.117 2.932 -24.469
332 H ARG 45 H ARG 45 7.822 9.894 -22.488
333 HA ARG 45 HA ARG 45 6.506 12.281 -23.016
334 1HB ARG 45 1HB ARG 45 9.316 11.330 -23.426
335 2HB ARG 45 2HB ARG 45 8.869 12.884 -24.119
336 1HG ARG 45 1HG ARG 45 8.468 12.102 -21.215
337 2HG ARG 45 2HG ARG 45 9.786 13.109 -21.814
338 1HD ARG 45 1HD ARG 45 8.082 14.711 -22.714
339 2HD ARG 45 2HD ARG 45 6.825 13.741 -21.948
340 HE ARG 45 HE ARG 45 8.406 14.249 -19.820
341 1HH1 ARG 45 1HH1 ARG 45 5.994 15.941 -21.121
342 2HH1 ARG 45 2HH1 ARG 45 6.584 17.528 -20.756
343 1HH2 ARG 45 1HH2 ARG 45 9.760 16.439 -19.891
344 2HH2 ARG 45 2HH2 ARG 45 8.715 17.809 -20.059
345 1HB PRO 46 1HB PRO 46 6.184 14.839 -28.066
346 2HB PRO 46 2HB PRO 46 4.755 14.468 -27.086
347 1HG PRO 46 1HG PRO 46 5.741 15.881 -25.542
348 2HG PRO 46 2HG PRO 46 7.356 15.665 -26.237
349 1HD PRO 46 1HD PRO 46 7.752 14.236 -24.479
350 2HD PRO 46 2HD PRO 46 6.028 14.140 -24.068
351 H TRP 47 H TRP 47 6.665 11.058 -28.667
352 HA TRP 47 HA TRP 47 9.305 12.109 -29.583
353 1HB TRP 47 1HB TRP 47 8.715 9.175 -29.088
354 2HB TRP 47 2HB TRP 47 10.272 9.902 -29.481
355 HD1 TRP 47 HD1 TRP 47 8.193 8.874 -26.598
356 HE1 TRP 47 HE1 TRP 47 9.211 9.747 -24.400
357 HE3 TRP 47 HE3 TRP 47 11.613 12.188 -28.456
358 HZ2 TRP 47 HZ2 TRP 47 11.208 11.605 -23.537
359 HZ3 TRP 47 HZ3 TRP 47 13.058 13.493 -26.924
360 HH2 TRP 47 HH2 TRP 47 12.860 13.206 -24.469
361 H PHE 48 H PHE 48 6.739 9.712 -30.163
362 HA PHE 48 HA PHE 48 5.943 8.829 -32.193
363 1HB PHE 48 1HB PHE 48 5.265 11.433 -31.906
364 2HB PHE 48 2HB PHE 48 6.135 11.513 -33.440
365 HD1 PHE 48 HD1 PHE 48 3.852 8.995 -31.837
366 HD2 PHE 48 HD2 PHE 48 4.694 11.441 -35.265
367 HE1 PHE 48 HE1 PHE 48 1.888 8.032 -33.005
368 HE2 PHE 48 HE2 PHE 48 2.729 10.479 -36.434
369 HZ PHE 48 HZ PHE 48 1.327 8.774 -35.303
No H/Q in entry = 369
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 -30.058 -3.479 9.247
2 H2 ALA 1 H2 ALA 1 -29.426 -4.797 10.114
3 H3 ALA 1 H3 ALA 1 -30.680 -5.035 8.992
4 HA ALA 1 HA ALA 1 -32.253 -3.938 10.334
5 1HB ALA 1 1HB ALA 1 -32.449 -5.600 11.875
6 2HB ALA 1 2HB ALA 1 -30.850 -5.286 12.551
7 3HB ALA 1 3HB ALA 1 -31.015 -6.266 11.093
8 H ASP 2 H ASP 2 -29.017 -3.009 10.891
9 HA ASP 2 HA ASP 2 -29.712 -0.549 12.130
10 1HB ASP 2 1HB ASP 2 -30.308 -2.073 14.034
11 2HB ASP 2 2HB ASP 2 -29.038 -0.917 14.438
12 H LYS 3 H LYS 3 -27.247 -0.687 13.923
13 HA LYS 3 HA LYS 3 -24.976 -1.410 12.367
14 1HB LYS 3 1HB LYS 3 -24.568 1.383 12.321
15 2HB LYS 3 2HB LYS 3 -24.775 0.319 10.935
16 1HG LYS 3 1HG LYS 3 -27.079 0.787 10.766
17 2HG LYS 3 2HG LYS 3 -27.168 1.390 12.422
18 1HD LYS 3 1HD LYS 3 -25.364 3.129 11.427
19 2HD LYS 3 2HD LYS 3 -26.261 2.772 9.950
20 1HE LYS 3 1HE LYS 3 -27.377 3.824 12.562
21 2HE LYS 3 2HE LYS 3 -27.344 4.650 11.004
22 1HZ LYS 3 1HZ LYS 3 -28.791 2.109 11.515
23 2HZ LYS 3 2HZ LYS 3 -29.517 3.641 11.551
24 3HZ LYS 3 3HZ LYS 3 -28.851 3.052 10.104
25 H SER 4 H SER 4 -23.928 -1.984 13.965
26 HA SER 4 HA SER 4 -22.354 -0.653 15.636
27 1HB SER 4 1HB SER 4 -23.707 -0.654 17.832
28 2HB SER 4 2HB SER 4 -24.090 0.628 16.688
29 HG SER 4 HG SER 4 -25.760 -1.052 17.704
30 H ASP 5 H ASP 5 -21.128 -2.254 16.345
31 HA ASP 5 HA ASP 5 -20.445 -4.518 16.341
32 1HB ASP 5 1HB ASP 5 -20.930 -5.457 18.520
33 2HB ASP 5 2HB ASP 5 -22.362 -4.438 18.682
34 H LEU 6 H LEU 6 -22.888 -4.209 14.658
35 HA LEU 6 HA LEU 6 -23.638 -7.036 14.514
36 1HB LEU 6 1HB LEU 6 -25.702 -4.836 14.948
37 2HB LEU 6 2HB LEU 6 -26.088 -6.477 14.426
38 HG LEU 6 HG LEU 6 -24.480 -6.045 16.892
39 1HD1 LEU 6 1HD1 LEU 6 -26.865 -4.772 16.669
40 2HD1 LEU 6 2HD1 LEU 6 -27.401 -6.354 17.238
41 3HD1 LEU 6 3HD1 LEU 6 -26.252 -5.416 18.192
42 1HD2 LEU 6 1HD2 LEU 6 -25.000 -8.302 15.694
43 2HD2 LEU 6 2HD2 LEU 6 -25.187 -8.218 17.446
44 3HD2 LEU 6 3HD2 LEU 6 -26.605 -8.114 16.401
45 H GLY 7 H GLY 7 -24.283 -3.722 13.675
46 1HA GLY 7 1HA GLY 7 -24.203 -4.408 10.768
47 2HA GLY 7 2HA GLY 7 -24.951 -2.947 11.434
48 H TYR 8 H TYR 8 -22.569 -2.996 13.463
49 HA TYR 8 HA TYR 8 -20.813 -1.407 11.773
50 1HB TYR 8 1HB TYR 8 -21.287 -0.284 13.764
51 2HB TYR 8 2HB TYR 8 -21.191 -1.773 14.695
52 HD1 TYR 8 HD1 TYR 8 -19.115 0.680 12.782
53 HD2 TYR 8 HD2 TYR 8 -19.205 -2.475 15.696
54 HE1 TYR 8 HE1 TYR 8 -16.750 1.152 13.361
55 HE2 TYR 8 HE2 TYR 8 -16.833 -2.005 16.276
56 HH TYR 8 HH TYR 8 -14.769 -0.732 14.667
57 H THR 9 H THR 9 -21.072 -4.552 12.935
58 HA THR 9 HA THR 9 -18.270 -5.119 13.346
59 HB THR 9 HB THR 9 -20.352 -7.146 12.510
60 HG1 THR 9 HG1 THR 9 -21.234 -5.902 14.153
61 1HG2 THR 9 1HG2 THR 9 -17.823 -7.639 12.857
62 2HG2 THR 9 2HG2 THR 9 -18.176 -7.436 14.573
63 3HG2 THR 9 3HG2 THR 9 -18.995 -8.694 13.648
64 H GLY 10 H GLY 10 -20.499 -6.101 10.740
65 1HA GLY 10 1HA GLY 10 -18.441 -6.897 8.919
66 2HA GLY 10 2HA GLY 10 -20.093 -6.486 8.456
67 H LEU 11 H LEU 11 -20.183 -3.792 9.284
68 HA LEU 11 HA LEU 11 -18.908 -2.526 7.115
69 1HB LEU 11 1HB LEU 11 -20.419 -0.940 7.630
70 2HB LEU 11 2HB LEU 11 -20.842 -1.845 9.078
71 HG LEU 11 HG LEU 11 -18.659 -0.696 10.034
72 1HD1 LEU 11 1HD1 LEU 11 -18.236 0.337 7.727
73 2HD1 LEU 11 2HD1 LEU 11 -19.610 1.390 8.060
74 3HD1 LEU 11 3HD1 LEU 11 -18.184 1.450 9.094
75 1HD2 LEU 11 1HD2 LEU 11 -21.428 -0.225 10.174
76 2HD2 LEU 11 2HD2 LEU 11 -20.205 0.354 11.304
77 3HD2 LEU 11 3HD2 LEU 11 -20.702 1.366 9.949
78 H THR 12 H THR 12 -17.971 -2.866 10.516
79 HA THR 12 HA THR 12 -15.823 -1.082 10.480
80 HB THR 12 HB THR 12 -16.195 -3.662 11.981
81 HG1 THR 12 HG1 THR 12 -17.180 -1.309 12.115
82 1HG2 THR 12 1HG2 THR 12 -14.020 -1.566 12.289
83 2HG2 THR 12 2HG2 THR 12 -14.315 -2.891 13.413
84 3HG2 THR 12 3HG2 THR 12 -13.780 -3.233 11.768
85 H ASP 13 H ASP 13 -16.272 -3.978 8.935
86 HA ASP 13 HA ASP 13 -13.522 -4.624 8.546
87 1HB ASP 13 1HB ASP 13 -15.665 -6.151 8.275
88 2HB ASP 13 2HB ASP 13 -15.611 -5.542 6.621
89 H GLU 14 H GLU 14 -15.973 -2.899 6.666
90 HA GLU 14 HA GLU 14 -13.800 -2.293 4.740
91 1HB GLU 14 1HB GLU 14 -16.688 -2.451 4.556
92 2HB GLU 14 2HB GLU 14 -16.061 -0.948 3.878
93 1HG GLU 14 1HG GLU 14 -14.275 -2.518 2.773
94 2HG GLU 14 2HG GLU 14 -15.484 -3.773 3.049
95 H GLN 15 H GLN 15 -15.132 -0.996 7.480
96 HA GLN 15 HA GLN 15 -14.645 1.797 6.695
97 1HB GLN 15 1HB GLN 15 -16.375 0.578 8.547
98 2HB GLN 15 2HB GLN 15 -16.143 2.298 8.288
99 1HG GLN 15 1HG GLN 15 -14.448 0.644 10.172
100 2HG GLN 15 2HG GLN 15 -15.852 1.580 10.680
101 2HE2 GLN 15 2HE2 GLN 15 -15.600 3.955 9.292
102 1HE2 GLN 15 1HE2 GLN 15 -14.134 4.722 9.672
103 H ALA 16 H ALA 16 -13.658 -0.688 8.860
104 HA ALA 16 HA ALA 16 -11.383 0.586 9.988
105 1HB ALA 16 1HB ALA 16 -12.052 -1.645 10.776
106 2HB ALA 16 2HB ALA 16 -10.394 -1.711 10.176
107 3HB ALA 16 3HB ALA 16 -11.717 -2.327 9.185
108 H GLN 17 H GLN 17 -12.144 -0.690 6.819
109 HA GLN 17 HA GLN 17 -9.339 -0.265 5.929
110 1HB GLN 17 1HB GLN 17 -11.772 -1.388 4.545
111 2HB GLN 17 2HB GLN 17 -10.230 -1.104 3.733
112 1HG GLN 17 1HG GLN 17 -9.326 -2.442 5.872
113 2HG GLN 17 2HG GLN 17 -10.943 -3.142 5.781
114 2HE2 GLN 17 2HE2 GLN 17 -11.543 -3.694 3.293
115 1HE2 GLN 17 1HE2 GLN 17 -10.324 -4.522 2.449
116 H GLU 18 H GLU 18 -12.484 1.247 5.833
117 HA GLU 18 HA GLU 18 -12.175 2.955 3.595
118 1HB GLU 18 1HB GLU 18 -13.782 4.374 4.619
119 2HB GLU 18 2HB GLU 18 -14.208 2.754 5.145
120 1HG GLU 18 1HG GLU 18 -12.330 3.804 7.015
121 2HG GLU 18 2HG GLU 18 -14.029 3.432 7.284
122 H LEU 19 H LEU 19 -10.646 2.813 6.624
123 HA LEU 19 HA LEU 19 -9.252 5.398 6.177
124 1HB LEU 19 1HB LEU 19 -8.818 5.416 8.510
125 2HB LEU 19 2HB LEU 19 -10.501 4.935 8.352
126 HG LEU 19 HG LEU 19 -9.124 2.535 8.210
127 1HD1 LEU 19 1HD1 LEU 19 -7.532 4.529 9.655
128 2HD1 LEU 19 2HD1 LEU 19 -7.917 3.121 10.647
129 3HD1 LEU 19 3HD1 LEU 19 -7.078 2.915 9.109
130 1HD2 LEU 19 1HD2 LEU 19 -10.410 3.933 10.582
131 2HD2 LEU 19 2HD2 LEU 19 -11.224 2.893 9.411
132 3HD2 LEU 19 3HD2 LEU 19 -10.037 2.210 10.525
133 H HIS 20 H HIS 20 -8.866 1.979 6.304
134 HA HIS 20 HA HIS 20 -5.952 2.181 6.589
135 1HB HIS 20 1HB HIS 20 -7.949 0.154 7.033
136 2HB HIS 20 2HB HIS 20 -6.653 -0.464 6.035
137 HD1 HIS 20 HD1 HIS 20 -4.370 -0.810 7.144
138 HD2 HIS 20 HD2 HIS 20 -7.109 1.122 9.618
139 HE1 HIS 20 HE1 HIS 20 -3.313 -0.716 9.444
140 H SER 21 H SER 21 -7.682 -0.061 4.447
141 HA SER 21 HA SER 21 -5.870 -0.287 2.462
142 1HB SER 21 1HB SER 21 -8.830 0.033 2.017
143 2HB SER 21 2HB SER 21 -7.706 -0.570 0.812
144 HG SER 21 HG SER 21 -7.164 -2.240 2.325
145 H VAL 22 H VAL 22 -8.564 1.742 1.749
146 HA VAL 22 HA VAL 22 -7.719 3.248 -0.263
147 HB VAL 22 HB VAL 22 -9.857 3.700 0.616
148 1HG1 VAL 22 1HG1 VAL 22 -8.628 3.146 3.060
149 2HG1 VAL 22 2HG1 VAL 22 -9.124 4.833 3.212
150 3HG1 VAL 22 3HG1 VAL 22 -10.323 3.593 2.837
151 1HG2 VAL 22 1HG2 VAL 22 -8.058 5.832 0.317
152 2HG2 VAL 22 2HG2 VAL 22 -9.818 5.941 0.318
153 3HG2 VAL 22 3HG2 VAL 22 -8.918 6.178 1.817
154 H TYR 23 H TYR 23 -6.838 3.696 3.086
155 HA TYR 23 HA TYR 23 -5.157 6.021 2.696
156 1HB TYR 23 1HB TYR 23 -6.320 5.749 4.761
157 2HB TYR 23 2HB TYR 23 -5.710 4.111 4.945
158 HD1 TYR 23 HD1 TYR 23 -3.284 6.504 3.714
159 HD2 TYR 23 HD2 TYR 23 -5.071 4.858 7.250
160 HE1 TYR 23 HE1 TYR 23 -1.387 7.352 5.075
161 HE2 TYR 23 HE2 TYR 23 -3.203 5.696 8.612
162 HH TYR 23 HH TYR 23 -1.280 7.977 7.888
163 H MET 24 H MET 24 -3.947 3.336 4.594
164 HA MET 24 HA MET 24 -1.291 3.566 3.754
165 1HB MET 24 1HB MET 24 -1.995 2.264 5.730
166 2HB MET 24 2HB MET 24 -0.925 1.329 4.687
167 1HG MET 24 1HG MET 24 -3.857 1.115 4.184
168 2HG MET 24 2HG MET 24 -3.224 0.323 5.623
169 1HE MET 24 1HE MET 24 -1.017 -0.742 5.614
170 2HE MET 24 2HE MET 24 -1.988 -2.201 5.422
171 3HE MET 24 3HE MET 24 -0.532 -1.986 4.453
172 H SER 25 H SER 25 -3.766 1.374 2.372
173 HA SER 25 HA SER 25 -1.936 0.192 0.485
174 1HB SER 25 1HB SER 25 -4.848 0.140 0.973
175 2HB SER 25 2HB SER 25 -4.373 -0.125 -0.700
176 HG SER 25 HG SER 25 -3.232 -1.881 -0.105
177 H GLY 26 H GLY 26 -4.040 3.031 0.375
178 1HA GLY 26 1HA GLY 26 -3.486 3.449 -2.486
179 2HA GLY 26 2HA GLY 26 -4.466 4.491 -1.456
180 H LEU 27 H LEU 27 -1.838 4.025 0.350
181 HA LEU 27 HA LEU 27 -0.609 6.529 -0.601
182 1HB LEU 27 1HB LEU 27 -1.048 5.229 1.973
183 2HB LEU 27 2HB LEU 27 0.598 5.843 1.795
184 HG LEU 27 HG LEU 27 -0.779 7.609 2.732
185 1HD1 LEU 27 1HD1 LEU 27 0.701 7.831 0.373
186 2HD1 LEU 27 2HD1 LEU 27 -0.792 8.706 0.031
187 3HD1 LEU 27 3HD1 LEU 27 0.200 9.161 1.418
188 1HD2 LEU 27 1HD2 LEU 27 -2.952 6.670 1.893
189 2HD2 LEU 27 2HD2 LEU 27 -2.796 8.404 1.617
190 3HD2 LEU 27 3HD2 LEU 27 -2.547 7.274 0.287
191 H TRP 28 H TRP 28 0.202 3.160 0.150
192 HA TRP 28 HA TRP 28 2.996 3.513 -0.476
193 1HB TRP 28 1HB TRP 28 2.402 1.833 1.156
194 2HB TRP 28 2HB TRP 28 1.274 1.088 0.028
195 HD1 TRP 28 HD1 TRP 28 2.620 0.482 -2.414
196 HE1 TRP 28 HE1 TRP 28 4.772 -0.941 -2.635
197 HE3 TRP 28 HE3 TRP 28 4.449 0.976 2.304
198 HZ2 TRP 28 HZ2 TRP 28 6.976 -1.753 -0.993
199 HZ3 TRP 28 HZ3 TRP 28 6.569 -0.124 2.962
200 HH2 TRP 28 HH2 TRP 28 7.835 -1.487 1.321
201 H LEU 29 H LEU 29 0.114 2.885 -2.132
202 HA LEU 29 HA LEU 29 1.339 1.698 -4.494
203 1HB LEU 29 1HB LEU 29 -0.838 1.065 -4.600
204 2HB LEU 29 2HB LEU 29 -1.345 2.341 -3.506
205 HG LEU 29 HG LEU 29 -1.014 3.890 -5.620
206 1HD1 LEU 29 1HD1 LEU 29 -1.395 1.127 -6.811
207 2HD1 LEU 29 2HD1 LEU 29 -1.589 2.637 -7.702
208 3HD1 LEU 29 3HD1 LEU 29 -0.009 2.189 -7.057
209 1HD2 LEU 29 1HD2 LEU 29 -3.135 2.949 -4.328
210 2HD2 LEU 29 2HD2 LEU 29 -3.310 3.818 -5.853
211 3HD2 LEU 29 3HD2 LEU 29 -3.362 2.055 -5.832
212 H PHE 30 H PHE 30 -0.104 4.907 -3.758
213 HA PHE 30 HA PHE 30 0.589 6.160 -6.136
214 1HB PHE 30 1HB PHE 30 -0.163 7.004 -3.454
215 2HB PHE 30 2HB PHE 30 0.953 8.135 -4.219
216 HD1 PHE 30 HD1 PHE 30 -1.457 5.960 -6.015
217 HD2 PHE 30 HD2 PHE 30 -0.573 9.938 -4.657
218 HE1 PHE 30 HE1 PHE 30 -3.308 6.848 -7.407
219 HE2 PHE 30 HE2 PHE 30 -2.425 10.825 -6.048
220 HZ PHE 30 HZ PHE 30 -3.792 9.279 -7.423
221 H SER 31 H SER 31 2.548 5.084 -3.598
222 HA SER 31 HA SER 31 4.826 6.803 -4.045
223 1HB SER 31 1HB SER 31 4.674 4.021 -2.839
224 2HB SER 31 2HB SER 31 6.085 5.074 -2.773
225 HG SER 31 HG SER 31 5.032 6.419 -1.439
226 H ALA 32 H ALA 32 4.345 3.346 -4.877
227 HA ALA 32 HA ALA 32 6.555 3.213 -6.711
228 1HB ALA 32 1HB ALA 32 4.154 1.546 -6.088
229 2HB ALA 32 2HB ALA 32 5.857 1.087 -6.146
230 3HB ALA 32 3HB ALA 32 4.943 1.270 -7.642
231 H VAL 33 H VAL 33 3.038 3.329 -7.459
232 HA VAL 33 HA VAL 33 3.181 3.697 -10.206
233 HB VAL 33 HB VAL 33 1.442 5.180 -8.272
234 1HG1 VAL 33 1HG1 VAL 33 1.816 5.691 -10.969
235 2HG1 VAL 33 2HG1 VAL 33 0.386 4.653 -10.951
236 3HG1 VAL 33 3HG1 VAL 33 0.397 6.156 -10.028
237 1HG2 VAL 33 1HG2 VAL 33 1.355 2.644 -8.243
238 2HG2 VAL 33 2HG2 VAL 33 -0.178 3.429 -8.625
239 3HG2 VAL 33 3HG2 VAL 33 0.795 2.721 -9.915
240 H ALA 34 H ALA 34 3.526 6.206 -7.684
241 HA ALA 34 HA ALA 34 3.794 8.432 -9.403
242 1HB ALA 34 1HB ALA 34 5.273 7.833 -6.832
243 2HB ALA 34 2HB ALA 34 5.234 9.406 -7.631
244 3HB ALA 34 3HB ALA 34 3.745 8.711 -6.971
245 H ILE 35 H ILE 35 6.333 6.412 -7.979
246 HA ILE 35 HA ILE 35 8.558 7.377 -9.277
247 HB ILE 35 HB ILE 35 8.277 4.425 -9.306
248 1HG1 ILE 35 1HG1 ILE 35 7.978 6.099 -6.825
249 2HG1 ILE 35 2HG1 ILE 35 7.015 4.729 -7.377
250 1HG2 ILE 35 1HG2 ILE 35 10.253 6.206 -9.531
251 2HG2 ILE 35 2HG2 ILE 35 10.284 5.972 -7.785
252 3HG2 ILE 35 3HG2 ILE 35 10.516 4.591 -8.860
253 1HD1 ILE 35 1HD1 ILE 35 9.927 4.544 -6.565
254 2HD1 ILE 35 2HD1 ILE 35 8.574 4.124 -5.514
255 3HD1 ILE 35 3HD1 ILE 35 8.866 3.200 -6.987
256 H VAL 36 H VAL 36 5.875 5.538 -10.518
257 HA VAL 36 HA VAL 36 7.192 4.981 -13.054
258 HB VAL 36 HB VAL 36 4.213 5.036 -12.554
259 1HG1 VAL 36 1HG1 VAL 36 5.873 4.375 -14.756
260 2HG1 VAL 36 2HG1 VAL 36 5.269 2.844 -14.111
261 3HG1 VAL 36 3HG1 VAL 36 4.135 4.103 -14.603
262 1HG2 VAL 36 1HG2 VAL 36 5.730 3.756 -10.798
263 2HG2 VAL 36 2HG2 VAL 36 4.311 2.952 -11.481
264 3HG2 VAL 36 3HG2 VAL 36 5.915 2.592 -12.114
265 H ALA 37 H ALA 37 4.740 7.280 -11.895
266 HA ALA 37 HA ALA 37 4.209 8.770 -14.106
267 1HB ALA 37 1HB ALA 37 4.944 10.125 -11.516
268 2HB ALA 37 2HB ALA 37 3.485 9.139 -11.640
269 3HB ALA 37 3HB ALA 37 3.677 10.565 -12.662
270 H HIS 38 H HIS 38 7.184 8.677 -12.166
271 HA HIS 38 HA HIS 38 8.399 10.794 -13.795
272 1HB HIS 38 1HB HIS 38 9.842 8.866 -11.964
273 2HB HIS 38 2HB HIS 38 10.361 10.479 -12.455
274 HD1 HIS 38 HD1 HIS 38 9.838 9.520 -9.436
275 HD2 HIS 38 HD2 HIS 38 7.251 11.803 -11.776
276 HE1 HIS 38 HE1 HIS 38 8.334 10.774 -7.828
277 H LEU 39 H LEU 39 9.397 7.410 -13.250
278 HA LEU 39 HA LEU 39 10.985 7.141 -15.555
279 1HB LEU 39 1HB LEU 39 9.207 4.956 -14.443
280 2HB LEU 39 2HB LEU 39 10.724 4.756 -15.318
281 HG LEU 39 HG LEU 39 10.413 6.049 -12.592
282 1HD1 LEU 39 1HD1 LEU 39 11.623 3.407 -13.454
283 2HD1 LEU 39 2HD1 LEU 39 11.678 4.065 -11.819
284 3HD1 LEU 39 3HD1 LEU 39 10.131 3.614 -12.536
285 1HD2 LEU 39 1HD2 LEU 39 12.243 6.938 -14.144
286 2HD2 LEU 39 2HD2 LEU 39 12.796 6.297 -12.597
287 3HD2 LEU 39 3HD2 LEU 39 12.960 5.329 -14.061
288 H ALA 40 H ALA 40 7.730 5.748 -15.276
289 HA ALA 40 HA ALA 40 7.189 5.265 -17.916
290 1HB ALA 40 1HB ALA 40 5.380 4.625 -16.710
291 2HB ALA 40 2HB ALA 40 5.483 6.007 -15.623
292 3HB ALA 40 3HB ALA 40 4.764 6.196 -17.221
293 H VAL 41 H VAL 41 5.991 8.358 -16.482
294 HA VAL 41 HA VAL 41 5.307 9.501 -18.935
295 HB VAL 41 HB VAL 41 6.479 11.020 -16.582
296 1HG1 VAL 41 1HG1 VAL 41 6.204 12.271 -18.743
297 2HG1 VAL 41 2HG1 VAL 41 4.486 11.877 -18.698
298 3HG1 VAL 41 3HG1 VAL 41 5.191 12.888 -17.437
299 1HG2 VAL 41 1HG2 VAL 41 4.406 9.321 -16.370
300 2HG2 VAL 41 2HG2 VAL 41 4.437 10.862 -15.513
301 3HG2 VAL 41 3HG2 VAL 41 3.543 10.712 -17.026
302 H TYR 42 H TYR 42 8.403 10.326 -17.264
303 HA TYR 42 HA TYR 42 9.566 11.734 -19.361
304 1HB TYR 42 1HB TYR 42 11.470 11.620 -18.149
305 2HB TYR 42 2HB TYR 42 10.495 10.753 -16.970
306 HD1 TYR 42 HD1 TYR 42 12.320 10.019 -20.165
307 HD2 TYR 42 HD2 TYR 42 11.355 8.789 -16.178
308 HE1 TYR 42 HE1 TYR 42 13.783 8.024 -20.435
309 HE2 TYR 42 HE2 TYR 42 12.814 6.789 -16.434
310 HH TYR 42 HH TYR 42 15.096 6.475 -18.779
311 H ILE 43 H ILE 43 8.939 8.328 -19.166
312 HA ILE 43 HA ILE 43 10.415 7.705 -21.633
313 HB ILE 43 HB ILE 43 8.708 6.174 -19.688
314 1HG1 ILE 43 1HG1 ILE 43 11.421 5.706 -20.960
315 2HG1 ILE 43 2HG1 ILE 43 11.134 6.344 -19.340
316 1HG2 ILE 43 1HG2 ILE 43 8.892 5.649 -22.576
317 2HG2 ILE 43 2HG2 ILE 43 9.371 4.279 -21.573
318 3HG2 ILE 43 3HG2 ILE 43 7.770 4.995 -21.381
319 1HD1 ILE 43 1HD1 ILE 43 9.724 4.148 -19.029
320 2HD1 ILE 43 2HD1 ILE 43 10.691 3.562 -20.381
321 3HD1 ILE 43 3HD1 ILE 43 11.482 4.079 -18.892
322 H TRP 44 H TRP 44 7.025 6.848 -20.987
323 HA TRP 44 HA TRP 44 6.277 7.573 -23.702
324 1HB TRP 44 1HB TRP 44 4.163 6.554 -23.204
325 2HB TRP 44 2HB TRP 44 5.410 5.538 -22.496
326 HD1 TRP 44 HD1 TRP 44 5.613 8.076 -20.209
327 HE1 TRP 44 HE1 TRP 44 4.024 7.832 -18.188
328 HE3 TRP 44 HE3 TRP 44 2.329 4.692 -22.115
329 HZ2 TRP 44 HZ2 TRP 44 1.660 6.375 -17.487
330 HZ3 TRP 44 HZ3 TRP 44 0.417 3.885 -20.760
331 HH2 TRP 44 HH2 TRP 44 0.078 4.722 -18.450
332 H ARG 45 H ARG 45 7.100 9.822 -22.213
333 HA ARG 45 HA ARG 45 4.986 11.263 -21.009
334 1HB ARG 45 1HB ARG 45 6.862 12.430 -20.557
335 2HB ARG 45 2HB ARG 45 7.692 11.774 -21.960
336 1HG ARG 45 1HG ARG 45 6.255 13.458 -23.331
337 2HG ARG 45 2HG ARG 45 5.970 14.243 -21.776
338 1HD ARG 45 1HD ARG 45 8.232 14.760 -21.485
339 2HD ARG 45 2HD ARG 45 8.757 13.503 -22.607
340 HE ARG 45 HE ARG 45 7.376 15.996 -23.530
341 1HH1 ARG 45 1HH1 ARG 45 7.516 15.252 -25.946
342 2HH1 ARG 45 2HH1 ARG 45 9.154 15.074 -26.478
343 1HH2 ARG 45 1HH2 ARG 45 10.469 15.019 -23.270
344 2HH2 ARG 45 2HH2 ARG 45 10.826 14.942 -24.963
345 1HB PRO 46 1HB PRO 46 5.440 11.998 -27.453
346 2HB PRO 46 2HB PRO 46 6.063 13.367 -26.517
347 1HG PRO 46 1HG PRO 46 7.854 11.984 -26.066
348 2HG PRO 46 2HG PRO 46 6.945 10.524 -26.489
349 1HD PRO 46 1HD PRO 46 6.679 10.152 -24.241
350 2HD PRO 46 2HD PRO 46 7.345 11.746 -23.837
351 H TRP 47 H TRP 47 2.074 12.353 -25.670
352 HA TRP 47 HA TRP 47 1.766 9.687 -26.962
353 1HB TRP 47 1HB TRP 47 0.782 10.528 -24.337
354 2HB TRP 47 2HB TRP 47 -0.522 10.000 -25.402
355 HD1 TRP 47 HD1 TRP 47 3.090 8.699 -24.953
356 HE1 TRP 47 HE1 TRP 47 2.981 6.146 -24.582
357 HE3 TRP 47 HE3 TRP 47 -1.969 8.016 -25.000
358 HZ2 TRP 47 HZ2 TRP 47 1.006 4.091 -24.334
359 HZ3 TRP 47 HZ3 TRP 47 -2.937 5.756 -24.693
360 HH2 TRP 47 HH2 TRP 47 -1.457 3.793 -24.361
361 H PHE 48 H PHE 48 1.501 12.835 -27.402
362 HA PHE 48 HA PHE 48 -1.233 13.241 -28.166
363 1HB PHE 48 1HB PHE 48 1.070 14.806 -27.974
364 2HB PHE 48 2HB PHE 48 0.683 14.817 -29.695
365 HD1 PHE 48 HD1 PHE 48 -2.210 14.650 -29.785
366 HD2 PHE 48 HD2 PHE 48 0.298 16.818 -27.053
367 HE1 PHE 48 HE1 PHE 48 -4.056 16.252 -29.360
368 HE2 PHE 48 HE2 PHE 48 -1.547 18.419 -26.629
369 HZ PHE 48 HZ PHE 48 -3.725 18.137 -27.783
No H/Q in entry = 369