Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5356 | 1h9f RC | 5043 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H1 ARG 1 9.470 -9.648 -13.185
2 H2 ARG 1 H2 ARG 1 8.958 -10.748 -14.375
3 H3 ARG 1 H3 ARG 1 10.342 -9.802 -14.635
4 HA ARG 1 HA ARG 1 9.180 -7.929 -15.122
5 1HB ARG 1 1HB ARG 1 7.961 -10.407 -16.076
6 2HB ARG 1 2HB ARG 1 6.759 -9.127 -15.964
7 1HG ARG 1 1HG ARG 1 8.187 -9.451 -18.171
8 2HG ARG 1 2HG ARG 1 7.785 -7.832 -17.609
9 1HD ARG 1 1HD ARG 1 9.963 -7.464 -16.762
10 2HD ARG 1 2HD ARG 1 10.329 -9.192 -16.699
11 HE ARG 1 HE ARG 1 9.859 -8.483 -19.438
12 1HH1 ARG 1 1HH1 ARG 1 12.226 -8.947 -17.062
13 2HH1 ARG 1 2HH1 ARG 1 13.521 -8.260 -17.984
14 1HH2 ARG 1 1HH2 ARG 1 11.464 -7.152 -20.546
15 2HH2 ARG 1 2HH2 ARG 1 13.090 -7.244 -19.956
16 H GLN 2 H GLN 2 8.640 -6.704 -13.312
17 HA GLN 2 HA GLN 2 6.261 -7.476 -11.728
18 1HB GLN 2 1HB GLN 2 8.567 -6.458 -10.869
19 2HB GLN 2 2HB GLN 2 7.775 -4.932 -11.256
20 1HG GLN 2 1HG GLN 2 7.375 -5.589 -8.897
21 2HG GLN 2 2HG GLN 2 5.872 -5.537 -9.821
22 2HE2 GLN 2 2HE2 GLN 2 8.165 -8.185 -10.291
23 1HE2 GLN 2 1HE2 GLN 2 7.216 -9.379 -9.547
24 H GLU 3 H GLU 3 7.414 -4.713 -13.679
25 HA GLU 3 HA GLU 3 6.212 -2.946 -14.664
26 1HB GLU 3 1HB GLU 3 3.929 -4.911 -14.894
27 2HB GLU 3 2HB GLU 3 4.386 -3.628 -16.012
28 1HG GLU 3 1HG GLU 3 5.694 -6.313 -15.582
29 2HG GLU 3 2HG GLU 3 5.174 -5.561 -17.089
30 H ASP 4 H ASP 4 5.770 -1.452 -13.077
31 HA ASP 4 HA ASP 4 4.490 -0.243 -11.507
32 1HB ASP 4 1HB ASP 4 2.024 -1.793 -12.029
33 2HB ASP 4 2HB ASP 4 2.296 -0.054 -12.055
34 H LYS 5 H LYS 5 4.069 -0.453 -9.340
35 HA LYS 5 HA LYS 5 3.784 -3.237 -8.291
36 1HB LYS 5 1HB LYS 5 5.987 -2.240 -7.774
37 2HB LYS 5 2HB LYS 5 5.186 -0.854 -7.046
38 1HG LYS 5 1HG LYS 5 5.968 -2.499 -5.352
39 2HG LYS 5 2HG LYS 5 4.223 -2.285 -5.305
40 1HD LYS 5 1HD LYS 5 3.835 -4.353 -6.444
41 2HD LYS 5 2HD LYS 5 5.534 -4.502 -6.895
42 1HE LYS 5 1HE LYS 5 6.182 -5.119 -4.732
43 2HE LYS 5 2HE LYS 5 4.767 -4.368 -3.989
44 1HZ LYS 5 1HZ LYS 5 3.873 -6.320 -5.769
45 2HZ LYS 5 2HZ LYS 5 5.092 -7.023 -4.821
46 3HZ LYS 5 3HZ LYS 5 3.744 -6.306 -4.076
47 H ASP 6 H ASP 6 3.278 0.171 -7.268
48 HA ASP 6 HA ASP 6 1.046 -0.543 -5.530
49 1HB ASP 6 1HB ASP 6 0.651 2.034 -5.671
50 2HB ASP 6 2HB ASP 6 2.121 1.464 -4.879
51 H ASP 7 H ASP 7 1.226 -0.656 -8.802
52 HA ASP 7 HA ASP 7 -0.782 0.713 -10.024
53 1HB ASP 7 1HB ASP 7 -1.061 -1.112 -11.528
54 2HB ASP 7 2HB ASP 7 0.605 -1.223 -10.957
55 H LEU 8 H LEU 8 -1.364 -2.178 -7.965
56 HA LEU 8 HA LEU 8 -4.146 -2.347 -8.205
57 1HB LEU 8 1HB LEU 8 -2.829 -3.897 -6.791
58 2HB LEU 8 2HB LEU 8 -2.550 -2.597 -5.632
59 HG LEU 8 HG LEU 8 -5.358 -3.301 -6.425
60 1HD1 LEU 8 1HD1 LEU 8 -3.688 -5.242 -5.444
61 2HD1 LEU 8 2HD1 LEU 8 -4.363 -4.564 -3.963
62 3HD1 LEU 8 3HD1 LEU 8 -5.436 -5.215 -5.202
63 1HD2 LEU 8 1HD2 LEU 8 -4.021 -1.686 -4.404
64 2HD2 LEU 8 2HD2 LEU 8 -5.668 -1.582 -5.022
65 3HD2 LEU 8 3HD2 LEU 8 -5.283 -2.735 -3.744
66 H ASP 9 H ASP 9 -5.791 -0.942 -7.716
67 HA ASP 9 HA ASP 9 -5.330 1.721 -6.893
68 1HB ASP 9 1HB ASP 9 -7.831 0.041 -6.513
69 2HB ASP 9 2HB ASP 9 -7.761 1.800 -6.405
70 H VAL 10 H VAL 10 -3.914 1.660 -5.068
71 HA VAL 10 HA VAL 10 -4.500 0.161 -2.699
72 HB VAL 10 HB VAL 10 -2.281 1.069 -3.495
73 1HG1 VAL 10 1HG1 VAL 10 -3.462 3.453 -3.609
74 2HG1 VAL 10 2HG1 VAL 10 -2.784 3.549 -1.989
75 3HG1 VAL 10 3HG1 VAL 10 -1.723 3.264 -3.363
76 1HG2 VAL 10 1HG2 VAL 10 -3.323 0.851 -0.798
77 2HG2 VAL 10 2HG2 VAL 10 -1.825 0.226 -1.486
78 3HG2 VAL 10 3HG2 VAL 10 -1.891 1.881 -0.902
79 H THR 11 H THR 11 -6.068 2.806 -3.962
80 HA THR 11 HA THR 11 -6.697 3.910 -1.261
81 HB THR 11 HB THR 11 -6.186 5.802 -2.445
82 HG1 THR 11 HG1 THR 11 -8.190 6.683 -3.266
83 1HG2 THR 11 1HG2 THR 11 -7.194 4.327 -4.871
84 2HG2 THR 11 2HG2 THR 11 -6.894 6.062 -4.905
85 3HG2 THR 11 3HG2 THR 11 -5.574 4.950 -4.557
86 H GLU 12 H GLU 12 -8.523 3.188 -4.309
87 HA GLU 12 HA GLU 12 -11.060 3.254 -2.983
88 1HB GLU 12 1HB GLU 12 -11.956 2.586 -5.023
89 2HB GLU 12 2HB GLU 12 -10.408 3.232 -5.559
90 1HG GLU 12 1HG GLU 12 -9.694 0.672 -4.981
91 2HG GLU 12 2HG GLU 12 -11.361 0.437 -5.483
92 H LEU 13 H LEU 13 -8.558 0.914 -3.232
93 HA LEU 13 HA LEU 13 -9.557 -1.563 -2.900
94 1HB LEU 13 1HB LEU 13 -7.579 -2.101 -1.807
95 2HB LEU 13 2HB LEU 13 -7.162 -0.541 -2.496
96 HG LEU 13 HG LEU 13 -8.207 -0.980 0.299
97 1HD1 LEU 13 1HD1 LEU 13 -5.875 -1.827 -0.140
98 2HD1 LEU 13 2HD1 LEU 13 -5.429 -0.195 -0.640
99 3HD1 LEU 13 3HD1 LEU 13 -5.927 -0.502 1.024
100 1HD2 LEU 13 1HD2 LEU 13 -7.221 1.490 -1.148
101 2HD2 LEU 13 2HD2 LEU 13 -8.835 1.215 -0.489
102 3HD2 LEU 13 3HD2 LEU 13 -7.459 1.407 0.594
103 H THR 14 H THR 14 -10.134 -2.899 -1.057
104 HA THR 14 HA THR 14 -12.109 -1.509 0.609
105 HB THR 14 HB THR 14 -12.477 -3.918 1.483
106 HG1 THR 14 HG1 THR 14 -11.482 -5.498 0.372
107 1HG2 THR 14 1HG2 THR 14 -12.856 -3.105 -1.405
108 2HG2 THR 14 2HG2 THR 14 -13.574 -4.564 -0.721
109 3HG2 THR 14 3HG2 THR 14 -14.022 -2.980 -0.087
110 H ASN 15 H ASN 15 -12.111 -2.687 3.021
111 HA ASN 15 HA ASN 15 -9.547 -1.762 4.173
112 1HB ASN 15 1HB ASN 15 -12.200 -2.411 5.482
113 2HB ASN 15 2HB ASN 15 -10.780 -1.802 6.332
114 2HD2 ASN 15 2HD2 ASN 15 -12.695 -0.939 3.384
115 1HD2 ASN 15 1HD2 ASN 15 -12.670 0.732 3.685
116 H GLU 16 H GLU 16 -11.788 -4.509 4.758
117 HA GLU 16 HA GLU 16 -9.964 -6.057 6.272
118 1HB GLU 16 1HB GLU 16 -11.353 -8.000 5.652
119 2HB GLU 16 2HB GLU 16 -12.353 -6.630 6.123
120 1HG GLU 16 1HG GLU 16 -11.617 -6.883 3.242
121 2HG GLU 16 2HG GLU 16 -12.811 -8.016 3.875
122 H ASP 17 H ASP 17 -10.115 -5.529 2.829
123 HA ASP 17 HA ASP 17 -8.357 -7.840 2.312
124 1HB ASP 17 1HB ASP 17 -10.209 -7.301 0.746
125 2HB ASP 17 2HB ASP 17 -9.415 -5.775 0.368
126 H LEU 18 H LEU 18 -8.003 -4.336 2.662
127 HA LEU 18 HA LEU 18 -5.368 -4.447 1.380
128 1HB LEU 18 1HB LEU 18 -5.204 -2.167 1.616
129 2HB LEU 18 2HB LEU 18 -6.949 -2.373 1.521
130 HG LEU 18 HG LEU 18 -6.847 -2.479 4.111
131 1HD1 LEU 18 1HD1 LEU 18 -4.098 -2.096 3.450
132 2HD1 LEU 18 2HD1 LEU 18 -4.671 -0.636 4.255
133 3HD1 LEU 18 3HD1 LEU 18 -4.821 -2.202 5.055
134 1HD2 LEU 18 1HD2 LEU 18 -7.629 -0.582 2.489
135 2HD2 LEU 18 2HD2 LEU 18 -7.334 -0.185 4.180
136 3HD2 LEU 18 3HD2 LEU 18 -6.123 0.201 2.963
137 H LEU 19 H LEU 19 -6.643 -5.109 4.444
138 HA LEU 19 HA LEU 19 -4.496 -4.381 6.141
139 1HB LEU 19 1HB LEU 19 -6.451 -6.688 6.220
140 2HB LEU 19 2HB LEU 19 -5.196 -6.522 7.442
141 HG LEU 19 HG LEU 19 -7.546 -4.720 6.898
142 1HD1 LEU 19 1HD1 LEU 19 -6.315 -6.130 9.274
143 2HD1 LEU 19 2HD1 LEU 19 -7.558 -4.889 9.461
144 3HD1 LEU 19 3HD1 LEU 19 -7.920 -6.373 8.578
145 1HD2 LEU 19 1HD2 LEU 19 -4.864 -3.976 8.027
146 2HD2 LEU 19 2HD2 LEU 19 -5.963 -3.016 7.029
147 3HD2 LEU 19 3HD2 LEU 19 -6.315 -3.274 8.738
148 H ASP 20 H ASP 20 -4.686 -6.711 3.619
149 HA ASP 20 HA ASP 20 -2.466 -8.351 4.594
150 1HB ASP 20 1HB ASP 20 -4.454 -8.808 2.788
151 2HB ASP 20 2HB ASP 20 -3.129 -8.383 1.705
152 H GLN 21 H GLN 21 -2.915 -5.622 2.407
153 HA GLN 21 HA GLN 21 -0.272 -5.665 1.301
154 1HB GLN 21 1HB GLN 21 -2.268 -3.379 1.582
155 2HB GLN 21 2HB GLN 21 -0.782 -3.306 0.661
156 1HG GLN 21 1HG GLN 21 -1.571 -4.726 -1.008
157 2HG GLN 21 2HG GLN 21 -2.779 -5.458 0.051
158 2HE2 GLN 21 2HE2 GLN 21 -2.115 -2.667 -2.032
159 1HE2 GLN 21 1HE2 GLN 21 -3.641 -1.955 -1.857
160 H LEU 22 H LEU 22 -1.627 -4.438 4.268
161 HA LEU 22 HA LEU 22 0.850 -2.870 4.758
162 1HB LEU 22 1HB LEU 22 -1.913 -2.864 5.898
163 2HB LEU 22 2HB LEU 22 -0.592 -2.383 6.955
164 HG LEU 22 HG LEU 22 -0.034 -1.060 4.597
165 1HD1 LEU 22 1HD1 LEU 22 -2.325 -1.705 3.797
166 2HD1 LEU 22 2HD1 LEU 22 -2.998 -0.819 5.169
167 3HD1 LEU 22 3HD1 LEU 22 -2.099 0.037 3.916
168 1HD2 LEU 22 1HD2 LEU 22 -0.367 -0.410 7.225
169 2HD2 LEU 22 2HD2 LEU 22 -0.069 0.762 5.953
170 3HD2 LEU 22 3HD2 LEU 22 -1.714 0.442 6.490
171 H VAL 23 H VAL 23 -1.177 -5.296 6.394
172 HA VAL 23 HA VAL 23 0.630 -5.781 8.517
173 HB VAL 23 HB VAL 23 -1.350 -7.709 7.267
174 1HG1 VAL 23 1HG1 VAL 23 0.427 -7.805 9.638
175 2HG1 VAL 23 2HG1 VAL 23 -1.235 -8.330 9.907
176 3HG1 VAL 23 3HG1 VAL 23 -0.246 -9.124 8.682
177 1HG2 VAL 23 1HG2 VAL 23 -2.055 -5.341 8.242
178 2HG2 VAL 23 2HG2 VAL 23 -3.013 -6.779 8.592
179 3HG2 VAL 23 3HG2 VAL 23 -1.862 -6.174 9.784
180 H LYS 24 H LYS 24 1.217 -6.506 5.206
181 HA LYS 24 HA LYS 24 2.935 -8.721 6.203
182 1HB LYS 24 1HB LYS 24 2.882 -9.749 4.041
183 2HB LYS 24 2HB LYS 24 1.227 -9.259 4.390
184 1HG LYS 24 1HG LYS 24 1.247 -8.110 2.466
185 2HG LYS 24 2HG LYS 24 2.386 -7.000 3.217
186 1HD LYS 24 1HD LYS 24 2.967 -9.424 1.475
187 2HD LYS 24 2HD LYS 24 3.408 -7.752 1.165
188 1HE LYS 24 1HE LYS 24 5.056 -7.801 2.984
189 2HE LYS 24 2HE LYS 24 4.554 -9.437 3.420
190 1HZ LYS 24 1HZ LYS 24 5.252 -9.103 0.647
191 2HZ LYS 24 2HZ LYS 24 6.540 -8.849 1.724
192 3HZ LYS 24 3HZ LYS 24 5.693 -10.321 1.742
193 H TYR 25 H TYR 25 3.076 -5.747 4.327
194 HA TYR 25 HA TYR 25 5.848 -6.126 3.595
195 1HB TYR 25 1HB TYR 25 3.973 -3.786 3.713
196 2HB TYR 25 2HB TYR 25 5.706 -3.492 3.583
197 HD1 TYR 25 HD1 TYR 25 2.740 -4.838 1.923
198 HD2 TYR 25 HD2 TYR 25 6.975 -4.241 1.620
199 HE1 TYR 25 HE1 TYR 25 2.634 -5.361 -0.506
200 HE2 TYR 25 HE2 TYR 25 6.881 -4.764 -0.805
201 HH TYR 25 HH TYR 25 5.569 -5.681 -2.435
202 H GLY 26 H GLY 26 4.358 -5.830 6.571
203 1HA GLY 26 1HA GLY 26 6.871 -4.798 7.774
204 2HA GLY 26 2HA GLY 26 5.689 -5.832 8.601
205 H VAL 27 H VAL 27 3.473 -4.354 7.301
206 HA VAL 27 HA VAL 27 3.703 -1.748 8.795
207 HB VAL 27 HB VAL 27 1.751 -2.324 6.544
208 1HG1 VAL 27 1HG1 VAL 27 1.181 -0.503 8.119
209 2HG1 VAL 27 2HG1 VAL 27 2.753 0.242 7.815
210 3HG1 VAL 27 3HG1 VAL 27 1.567 0.134 6.511
211 1HG2 VAL 27 1HG2 VAL 27 4.470 -2.232 6.184
212 2HG2 VAL 27 2HG2 VAL 27 3.286 -1.724 4.965
213 3HG2 VAL 27 3HG2 VAL 27 4.038 -0.528 6.029
214 H ASN 28 H ASN 28 2.347 -1.428 10.482
215 HA ASN 28 HA ASN 28 -0.085 -3.153 10.655
216 1HB ASN 28 1HB ASN 28 1.447 -4.134 12.205
217 2HB ASN 28 2HB ASN 28 1.953 -2.555 12.807
218 2HD2 ASN 28 2HD2 ASN 28 -1.456 -3.064 12.153
219 1HD2 ASN 28 1HD2 ASN 28 -1.952 -3.161 13.773
220 HA PRO 29 HA PRO 29 -1.369 1.181 11.118
221 1HB PRO 29 1HB PRO 29 -3.729 0.775 9.716
222 2HB PRO 29 2HB PRO 29 -2.200 1.254 8.982
223 1HG PRO 29 1HG PRO 29 -3.602 -1.350 8.911
224 2HG PRO 29 2HG PRO 29 -2.382 -0.674 7.802
225 1HD PRO 29 1HD PRO 29 -1.916 -2.614 9.836
226 2HD PRO 29 2HD PRO 29 -0.693 -1.799 8.874
227 H GLY 30 H GLY 30 -3.667 -1.610 11.338
228 1HA GLY 30 1HA GLY 30 -4.437 -0.570 14.013
229 2HA GLY 30 2HA GLY 30 -4.711 -2.211 13.447
230 HA PRO 31 HA PRO 31 -8.637 0.157 12.875
231 1HB PRO 31 1HB PRO 31 -8.588 2.864 13.297
232 2HB PRO 31 2HB PRO 31 -8.717 1.675 14.594
233 1HG PRO 31 1HG PRO 31 -6.427 3.382 13.785
234 2HG PRO 31 2HG PRO 31 -6.752 2.614 15.348
235 1HD PRO 31 1HD PRO 31 -4.946 1.729 13.317
236 2HD PRO 31 2HD PRO 31 -5.383 0.840 14.787
237 H ILE 32 H ILE 32 -8.740 -0.204 10.623
238 HA ILE 32 HA ILE 32 -7.792 1.975 8.837
239 HB ILE 32 HB ILE 32 -8.972 -0.726 8.144
240 1HG1 ILE 32 1HG1 ILE 32 -6.569 -0.406 9.335
241 2HG1 ILE 32 2HG1 ILE 32 -6.872 -1.626 8.106
242 1HG2 ILE 32 1HG2 ILE 32 -8.108 1.649 6.613
243 2HG2 ILE 32 2HG2 ILE 32 -7.603 0.087 5.968
244 3HG2 ILE 32 3HG2 ILE 32 -9.315 0.428 6.216
245 1HD1 ILE 32 1HD1 ILE 32 -6.098 1.051 7.093
246 2HD1 ILE 32 2HD1 ILE 32 -4.839 0.138 7.933
247 3HD1 ILE 32 3HD1 ILE 32 -5.648 -0.555 6.528
248 H VAL 33 H VAL 33 -9.792 2.906 10.296
249 HA VAL 33 HA VAL 33 -12.460 2.438 9.632
250 HB VAL 33 HB VAL 33 -12.608 5.083 9.881
251 1HG1 VAL 33 1HG1 VAL 33 -12.680 2.884 11.615
252 2HG1 VAL 33 2HG1 VAL 33 -11.614 4.041 12.411
253 3HG1 VAL 33 3HG1 VAL 33 -13.255 4.513 11.968
254 1HG2 VAL 33 1HG2 VAL 33 -9.905 4.912 9.654
255 2HG2 VAL 33 2HG2 VAL 33 -10.719 6.182 10.567
256 3HG2 VAL 33 3HG2 VAL 33 -10.077 4.771 11.404
257 H GLY 34 H GLY 34 -13.789 4.180 8.228
258 1HA GLY 34 1HA GLY 34 -14.360 4.713 6.010
259 2HA GLY 34 2HA GLY 34 -12.980 3.749 5.486
260 H THR 35 H THR 35 -11.763 5.872 7.684
261 HA THR 35 HA THR 35 -11.283 7.985 5.645
262 HB THR 35 HB THR 35 -10.409 9.067 7.995
263 HG1 THR 35 HG1 THR 35 -12.445 8.468 9.291
264 1HG2 THR 35 1HG2 THR 35 -12.045 9.934 6.228
265 2HG2 THR 35 2HG2 THR 35 -13.312 9.134 7.159
266 3HG2 THR 35 3HG2 THR 35 -12.361 10.428 7.892
267 H THR 36 H THR 36 -9.847 5.288 6.836
268 HA THR 36 HA THR 36 -7.156 6.532 6.956
269 HB THR 36 HB THR 36 -6.546 4.122 7.719
270 HG1 THR 36 HG1 THR 36 -8.729 3.412 7.088
271 1HG2 THR 36 1HG2 THR 36 -8.267 6.019 9.331
272 2HG2 THR 36 2HG2 THR 36 -7.230 4.763 10.023
273 3HG2 THR 36 3HG2 THR 36 -6.514 6.119 9.130
274 H ARG 37 H ARG 37 -8.821 3.830 5.250
275 HA ARG 37 HA ARG 37 -6.839 2.751 3.759
276 1HB ARG 37 1HB ARG 37 -9.316 3.800 2.391
277 2HB ARG 37 2HB ARG 37 -8.291 2.483 1.848
278 1HG ARG 37 1HG ARG 37 -9.764 1.148 2.924
279 2HG ARG 37 2HG ARG 37 -8.861 1.626 4.374
280 1HD ARG 37 1HD ARG 37 -11.659 2.301 3.641
281 2HD ARG 37 2HD ARG 37 -10.852 2.534 5.192
282 HE ARG 37 HE ARG 37 -9.993 4.719 4.264
283 1HH1 ARG 37 1HH1 ARG 37 -13.082 3.511 3.635
284 2HH1 ARG 37 2HH1 ARG 37 -13.494 4.710 2.455
285 1HH2 ARG 37 1HH2 ARG 37 -10.310 6.079 2.344
286 2HH2 ARG 37 2HH2 ARG 37 -11.925 6.164 1.723
287 H LYS 38 H LYS 38 -8.229 5.962 2.875
288 HA LYS 38 HA LYS 38 -6.530 6.524 0.710
289 1HB LYS 38 1HB LYS 38 -7.758 8.285 2.842
290 2HB LYS 38 2HB LYS 38 -6.821 8.938 1.509
291 1HG LYS 38 1HG LYS 38 -8.608 7.111 0.334
292 2HG LYS 38 2HG LYS 38 -9.559 8.016 1.512
293 1HD LYS 38 1HD LYS 38 -7.847 9.867 0.173
294 2HD LYS 38 2HD LYS 38 -8.636 8.879 -1.058
295 1HE LYS 38 1HE LYS 38 -10.063 10.315 1.203
296 2HE LYS 38 2HE LYS 38 -9.992 10.876 -0.468
297 1HZ LYS 38 1HZ LYS 38 -10.903 8.527 -0.976
298 2HZ LYS 38 2HZ LYS 38 -11.395 8.545 0.650
299 3HZ LYS 38 3HZ LYS 38 -11.965 9.730 -0.425
300 H LEU 39 H LEU 39 -6.093 7.250 4.158
301 HA LEU 39 HA LEU 39 -3.517 8.353 4.124
302 1HB LEU 39 1HB LEU 39 -5.240 7.929 6.074
303 2HB LEU 39 2HB LEU 39 -4.387 6.404 6.265
304 HG LEU 39 HG LEU 39 -3.301 7.775 7.787
305 1HD1 LEU 39 1HD1 LEU 39 -4.542 9.825 6.657
306 2HD1 LEU 39 2HD1 LEU 39 -3.115 10.083 7.663
307 3HD1 LEU 39 3HD1 LEU 39 -2.965 10.087 5.906
308 1HD2 LEU 39 1HD2 LEU 39 -1.760 6.774 5.982
309 2HD2 LEU 39 2HD2 LEU 39 -1.629 8.415 5.351
310 3HD2 LEU 39 3HD2 LEU 39 -1.089 8.055 6.988
311 H TYR 40 H TYR 40 -4.250 4.938 4.872
312 HA TYR 40 HA TYR 40 -1.528 4.108 4.620
313 1HB TYR 40 1HB TYR 40 -4.134 2.570 4.618
314 2HB TYR 40 2HB TYR 40 -2.543 1.814 4.706
315 HD1 TYR 40 HD1 TYR 40 -0.905 3.046 6.447
316 HD2 TYR 40 HD2 TYR 40 -5.188 2.997 6.659
317 HE1 TYR 40 HE1 TYR 40 -0.780 3.574 8.861
318 HE2 TYR 40 HE2 TYR 40 -5.075 3.519 9.079
319 HH TYR 40 HH TYR 40 -3.600 3.444 10.911
320 H GLU 41 H GLU 41 -3.703 5.036 2.284
321 HA GLU 41 HA GLU 41 -3.164 3.167 0.178
322 1HB GLU 41 1HB GLU 41 -4.609 4.526 -0.975
323 2HB GLU 41 2HB GLU 41 -4.778 5.413 0.528
324 1HG GLU 41 1HG GLU 41 -2.995 6.935 -0.101
325 2HG GLU 41 2HG GLU 41 -2.658 5.971 -1.534
326 H LYS 42 H LYS 42 -1.324 5.721 1.672
327 HA LYS 42 HA LYS 42 0.683 5.435 -0.490
328 1HB LYS 42 1HB LYS 42 -0.080 7.720 -0.398
329 2HB LYS 42 2HB LYS 42 0.084 7.761 1.357
330 1HG LYS 42 1HG LYS 42 1.964 8.868 0.002
331 2HG LYS 42 2HG LYS 42 2.460 7.712 1.239
332 1HD LYS 42 1HD LYS 42 3.704 7.197 -0.758
333 2HD LYS 42 2HD LYS 42 2.487 5.943 -0.558
334 1HE LYS 42 1HE LYS 42 1.203 7.956 -2.034
335 2HE LYS 42 2HE LYS 42 2.819 7.857 -2.728
336 1HZ LYS 42 1HZ LYS 42 1.184 5.446 -2.222
337 2HZ LYS 42 2HZ LYS 42 1.071 6.312 -3.673
338 3HZ LYS 42 3HZ LYS 42 2.542 5.602 -3.226
339 H LYS 43 H LYS 43 0.212 5.765 3.018
340 HA LYS 43 HA LYS 43 2.786 5.580 4.017
341 1HB LYS 43 1HB LYS 43 0.151 4.834 4.978
342 2HB LYS 43 2HB LYS 43 1.392 3.739 5.597
343 1HG LYS 43 1HG LYS 43 1.605 6.767 5.707
344 2HG LYS 43 2HG LYS 43 0.980 5.786 7.031
345 1HD LYS 43 1HD LYS 43 3.246 4.443 6.637
346 2HD LYS 43 2HD LYS 43 3.772 5.992 5.976
347 1HE LYS 43 1HE LYS 43 2.457 5.708 8.690
348 2HE LYS 43 2HE LYS 43 4.206 5.692 8.457
349 1HZ LYS 43 1HZ LYS 43 3.092 7.866 7.059
350 2HZ LYS 43 2HZ LYS 43 2.535 7.905 8.660
351 3HZ LYS 43 3HZ LYS 43 4.203 7.887 8.343
352 H LEU 44 H LEU 44 0.838 2.909 2.722
353 HA LEU 44 HA LEU 44 2.982 0.993 3.283
354 1HB LEU 44 1HB LEU 44 1.194 -0.326 3.478
355 2HB LEU 44 2HB LEU 44 0.146 0.968 2.906
356 HG LEU 44 HG LEU 44 0.950 0.295 0.566
357 1HD1 LEU 44 1HD1 LEU 44 -0.826 -1.456 2.270
358 2HD1 LEU 44 2HD1 LEU 44 -1.314 0.000 1.406
359 3HD1 LEU 44 3HD1 LEU 44 -0.835 -1.440 0.505
360 1HD2 LEU 44 1HD2 LEU 44 2.283 -1.643 2.279
361 2HD2 LEU 44 2HD2 LEU 44 1.169 -2.472 1.181
362 3HD2 LEU 44 3HD2 LEU 44 2.438 -1.433 0.527
363 H LEU 45 H LEU 45 1.799 2.946 0.686
364 HA LEU 45 HA LEU 45 2.918 1.435 -1.486
365 1HB LEU 45 1HB LEU 45 1.695 4.059 -1.106
366 2HB LEU 45 2HB LEU 45 2.892 4.025 -2.374
367 HG LEU 45 HG LEU 45 1.721 1.967 -3.239
368 1HD1 LEU 45 1HD1 LEU 45 0.186 2.606 -0.844
369 2HD1 LEU 45 2HD1 LEU 45 -0.734 2.157 -2.268
370 3HD1 LEU 45 3HD1 LEU 45 0.463 1.052 -1.626
371 1HD2 LEU 45 1HD2 LEU 45 1.314 4.310 -4.120
372 2HD2 LEU 45 2HD2 LEU 45 -0.023 3.184 -4.351
373 3HD2 LEU 45 3HD2 LEU 45 -0.087 4.372 -3.050
374 H LYS 46 H LYS 46 4.291 3.575 0.888
375 HA LYS 46 HA LYS 46 6.662 4.311 -0.603
376 1HB LYS 46 1HB LYS 46 6.164 4.070 2.387
377 2HB LYS 46 2HB LYS 46 7.629 4.751 1.680
378 1HG LYS 46 1HG LYS 46 5.922 6.262 0.350
379 2HG LYS 46 2HG LYS 46 4.834 5.847 1.675
380 1HD LYS 46 1HD LYS 46 6.449 6.694 3.307
381 2HD LYS 46 2HD LYS 46 7.607 7.029 2.020
382 1HE LYS 46 1HE LYS 46 6.599 9.124 2.366
383 2HE LYS 46 2HE LYS 46 5.688 8.475 1.001
384 1HZ LYS 46 1HZ LYS 46 4.837 8.114 3.815
385 2HZ LYS 46 2HZ LYS 46 4.333 9.430 2.866
386 3HZ LYS 46 3HZ LYS 46 3.926 7.849 2.406
387 H LEU 47 H LEU 47 5.596 1.592 1.262
388 HA LEU 47 HA LEU 47 8.216 0.196 1.027
389 1HB LEU 47 1HB LEU 47 5.649 -0.750 2.317
390 2HB LEU 47 2HB LEU 47 7.266 -1.392 2.583
391 HG LEU 47 HG LEU 47 6.697 1.495 3.179
392 1HD1 LEU 47 1HD1 LEU 47 8.830 -0.423 3.574
393 2HD1 LEU 47 2HD1 LEU 47 8.845 1.319 3.847
394 3HD1 LEU 47 3HD1 LEU 47 8.305 0.231 5.125
395 1HD2 LEU 47 1HD2 LEU 47 5.306 -0.707 4.358
396 2HD2 LEU 47 2HD2 LEU 47 6.453 -0.094 5.553
397 3HD2 LEU 47 3HD2 LEU 47 5.259 0.991 4.842
398 H ARG 48 H ARG 48 5.689 0.764 -0.897
399 HA ARG 48 HA ARG 48 5.802 -1.904 -2.217
400 1HB ARG 48 1HB ARG 48 3.808 -2.043 -0.939
401 2HB ARG 48 2HB ARG 48 3.389 -0.365 -1.257
402 1HG ARG 48 1HG ARG 48 3.644 -2.168 -3.604
403 2HG ARG 48 2HG ARG 48 2.243 -2.390 -2.567
404 1HD ARG 48 1HD ARG 48 2.745 0.432 -3.024
405 2HD ARG 48 2HD ARG 48 2.594 -0.408 -4.556
406 HE ARG 48 HE ARG 48 0.357 0.385 -3.357
407 1HH1 ARG 48 1HH1 ARG 48 0.606 -1.712 -1.225
408 2HH1 ARG 48 2HH1 ARG 48 -0.319 -3.018 -1.886
409 1HH2 ARG 48 1HH2 ARG 48 -0.331 -1.729 -5.106
410 2HH2 ARG 48 2HH2 ARG 48 -0.861 -3.021 -4.082
411 H GLU 49 H GLU 49 6.603 1.166 -2.658
412 HA GLU 49 HA GLU 49 5.211 1.660 -5.206
413 1HB GLU 49 1HB GLU 49 7.011 3.181 -3.397
414 2HB GLU 49 2HB GLU 49 7.179 3.539 -5.116
415 1HG GLU 49 1HG GLU 49 4.702 3.876 -5.234
416 2HG GLU 49 2HG GLU 49 4.621 3.653 -3.489
417 H GLN 50 H GLN 50 6.307 -0.638 -5.676
418 HA GLN 50 HA GLN 50 7.985 -1.857 -6.808
419 1HB GLN 50 1HB GLN 50 8.476 -0.932 -8.970
420 2HB GLN 50 2HB GLN 50 6.839 -0.418 -8.560
421 1HG GLN 50 1HG GLN 50 7.581 1.777 -7.959
422 2HG GLN 50 2HG GLN 50 9.275 1.287 -7.989
423 2HE2 GLN 50 2HE2 GLN 50 9.275 3.254 -9.599
424 1HE2 GLN 50 1HE2 GLN 50 8.982 2.886 -11.231
425 H GLY 51 H GLY 51 8.935 -0.294 -4.501
426 1HA GLY 51 1HA GLY 51 11.664 -0.707 -4.573
427 2HA GLY 51 2HA GLY 51 10.938 0.579 -3.608
428 H THR 52 H THR 52 13.492 0.510 -5.178
429 HA THR 52 HA THR 52 13.183 2.154 -7.519
430 HB THR 52 HB THR 52 13.843 3.574 -4.921
431 HG1 THR 52 HG1 THR 52 11.744 3.780 -5.215
432 1HG2 THR 52 1HG2 THR 52 14.985 4.000 -7.481
433 2HG2 THR 52 2HG2 THR 52 13.804 5.285 -7.234
434 3HG2 THR 52 3HG2 THR 52 15.102 5.046 -6.066
435 H GLU 53 H GLU 53 15.456 1.787 -4.731
436 HA GLU 53 HA GLU 53 17.576 1.251 -6.767
437 1HB GLU 53 1HB GLU 53 19.183 2.119 -5.116
438 2HB GLU 53 2HB GLU 53 17.939 3.325 -5.456
439 1HG GLU 53 1HG GLU 53 17.135 1.547 -3.295
440 2HG GLU 53 2HG GLU 53 18.661 2.352 -2.931
441 H SER 54 H SER 54 19.093 0.532 -4.032
442 HA SER 54 HA SER 54 17.885 -2.173 -3.724
443 1HB SER 54 1HB SER 54 20.809 -1.538 -4.218
444 2HB SER 54 2HB SER 54 20.213 -3.117 -3.708
445 HG SER 54 HG SER 54 20.361 -2.175 -6.151
446 H ARG 55 H ARG 55 17.535 -0.040 -1.934
447 HA ARG 55 HA ARG 55 19.036 -1.086 0.415
448 1HB ARG 55 1HB ARG 55 20.188 0.975 -0.303
449 2HB ARG 55 2HB ARG 55 18.660 1.854 -0.236
450 1HG ARG 55 1HG ARG 55 18.588 1.833 2.081
451 2HG ARG 55 2HG ARG 55 19.528 0.346 2.200
452 1HD ARG 55 1HD ARG 55 20.554 3.126 1.543
453 2HD ARG 55 2HD ARG 55 20.940 2.147 2.964
454 HE ARG 55 HE ARG 55 21.723 0.615 0.691
455 1HH1 ARG 55 1HH1 ARG 55 22.667 3.175 2.760
456 2HH1 ARG 55 2HH1 ARG 55 24.211 3.406 2.011
457 1HH2 ARG 55 1HH2 ARG 55 23.626 1.107 -0.518
458 2HH2 ARG 55 2HH2 ARG 55 24.754 2.236 0.154
459 H SER 56 H SER 56 17.919 -0.574 2.471
460 HA SER 56 HA SER 56 15.050 0.164 2.109
461 1HB SER 56 1HB SER 56 14.563 -1.657 3.851
462 2HB SER 56 2HB SER 56 14.962 -2.216 2.227
463 HG SER 56 HG SER 56 16.184 -2.806 4.479
464 H SER 57 H SER 57 16.537 2.128 2.972
465 HA SER 57 HA SER 57 16.816 3.625 4.759
466 1HB SER 57 1HB SER 57 15.180 1.670 6.392
467 2HB SER 57 2HB SER 57 15.371 3.403 6.660
468 HG SER 57 HG SER 57 13.615 2.111 5.095
No H/Q in entry = 468
Start of MODEL 2
1 H1 ARG 1 H1 ARG 1 4.263 -7.859 -9.907
2 H2 ARG 1 H2 ARG 1 2.939 -8.134 -8.880
3 H3 ARG 1 H3 ARG 1 4.518 -8.355 -8.302
4 HA ARG 1 HA ARG 1 4.841 -10.306 -9.468
5 1HB ARG 1 1HB ARG 1 3.224 -10.662 -7.673
6 2HB ARG 1 2HB ARG 1 1.903 -10.160 -8.726
7 1HG ARG 1 1HG ARG 1 2.226 -12.684 -8.474
8 2HG ARG 1 2HG ARG 1 2.164 -12.078 -10.129
9 1HD ARG 1 1HD ARG 1 4.657 -12.028 -10.176
10 2HD ARG 1 2HD ARG 1 4.681 -12.715 -8.548
11 HE ARG 1 HE ARG 1 3.090 -14.418 -10.231
12 1HH1 ARG 1 1HH1 ARG 1 5.907 -14.412 -8.545
13 2HH1 ARG 1 2HH1 ARG 1 6.815 -15.398 -9.643
14 1HH2 ARG 1 1HH2 ARG 1 4.444 -15.235 -12.168
15 2HH2 ARG 1 2HH2 ARG 1 5.987 -15.864 -11.694
16 H GLN 2 H GLN 2 2.617 -8.128 -10.959
17 HA GLN 2 HA GLN 2 2.790 -9.751 -13.459
18 1HB GLN 2 1HB GLN 2 0.337 -8.185 -12.615
19 2HB GLN 2 2HB GLN 2 0.490 -9.267 -13.999
20 1HG GLN 2 1HG GLN 2 1.148 -10.445 -11.354
21 2HG GLN 2 2HG GLN 2 -0.550 -10.045 -11.618
22 2HE2 GLN 2 2HE2 GLN 2 -1.670 -11.143 -13.410
23 1HE2 GLN 2 1HE2 GLN 2 -1.032 -12.559 -14.099
24 H GLU 3 H GLU 3 2.295 -6.558 -11.986
25 HA GLU 3 HA GLU 3 3.903 -5.306 -14.066
26 1HB GLU 3 1HB GLU 3 0.959 -5.282 -14.229
27 2HB GLU 3 2HB GLU 3 1.703 -3.687 -14.334
28 1HG GLU 3 1HG GLU 3 2.362 -6.100 -16.051
29 2HG GLU 3 2HG GLU 3 1.528 -4.636 -16.575
30 H ASP 4 H ASP 4 4.903 -3.568 -13.147
31 HA ASP 4 HA ASP 4 5.508 -2.083 -11.386
32 1HB ASP 4 1HB ASP 4 2.621 -1.361 -11.094
33 2HB ASP 4 2HB ASP 4 4.026 -0.310 -11.244
34 H LYS 5 H LYS 5 4.249 -1.249 -9.113
35 HA LYS 5 HA LYS 5 3.484 -3.767 -7.707
36 1HB LYS 5 1HB LYS 5 5.898 -2.779 -7.308
37 2HB LYS 5 2HB LYS 5 5.046 -1.611 -6.302
38 1HG LYS 5 1HG LYS 5 5.586 -3.323 -4.783
39 2HG LYS 5 2HG LYS 5 3.928 -3.720 -5.230
40 1HD LYS 5 1HD LYS 5 4.640 -5.731 -5.955
41 2HD LYS 5 2HD LYS 5 5.620 -4.917 -7.174
42 1HE LYS 5 1HE LYS 5 7.059 -6.333 -5.801
43 2HE LYS 5 2HE LYS 5 7.431 -4.641 -5.476
44 1HZ LYS 5 1HZ LYS 5 5.971 -4.753 -3.537
45 2HZ LYS 5 2HZ LYS 5 5.688 -6.401 -3.837
46 3HZ LYS 5 3HZ LYS 5 7.246 -5.865 -3.423
47 H ASP 6 H ASP 6 3.666 -0.215 -7.203
48 HA ASP 6 HA ASP 6 1.154 -0.270 -5.649
49 1HB ASP 6 1HB ASP 6 1.494 2.099 -5.370
50 2HB ASP 6 2HB ASP 6 3.074 1.343 -5.164
51 H ASP 7 H ASP 7 0.837 -1.240 -8.309
52 HA ASP 7 HA ASP 7 -0.236 0.912 -9.962
53 1HB ASP 7 1HB ASP 7 -0.856 -0.979 -11.494
54 2HB ASP 7 2HB ASP 7 0.858 -0.920 -11.081
55 H LEU 8 H LEU 8 -1.664 -1.988 -8.375
56 HA LEU 8 HA LEU 8 -4.315 -1.536 -9.084
57 1HB LEU 8 1HB LEU 8 -4.863 -3.186 -7.653
58 2HB LEU 8 2HB LEU 8 -3.122 -3.377 -7.517
59 HG LEU 8 HG LEU 8 -3.937 -1.356 -5.644
60 1HD1 LEU 8 1HD1 LEU 8 -2.643 -4.021 -5.740
61 2HD1 LEU 8 2HD1 LEU 8 -2.046 -2.506 -5.070
62 3HD1 LEU 8 3HD1 LEU 8 -3.217 -3.467 -4.166
63 1HD2 LEU 8 1HD2 LEU 8 -5.902 -3.456 -6.043
64 2HD2 LEU 8 2HD2 LEU 8 -5.196 -3.550 -4.429
65 3HD2 LEU 8 3HD2 LEU 8 -5.972 -2.060 -4.966
66 H ASP 9 H ASP 9 -6.003 -1.017 -7.115
67 HA ASP 9 HA ASP 9 -5.604 1.865 -6.666
68 1HB ASP 9 1HB ASP 9 -7.890 -0.055 -6.335
69 2HB ASP 9 2HB ASP 9 -7.979 1.580 -5.682
70 H VAL 10 H VAL 10 -3.968 1.793 -5.000
71 HA VAL 10 HA VAL 10 -4.229 0.315 -2.559
72 HB VAL 10 HB VAL 10 -2.169 1.329 -3.517
73 1HG1 VAL 10 1HG1 VAL 10 -3.675 3.615 -3.649
74 2HG1 VAL 10 2HG1 VAL 10 -2.607 3.922 -2.278
75 3HG1 VAL 10 3HG1 VAL 10 -1.920 3.527 -3.857
76 1HG2 VAL 10 1HG2 VAL 10 -2.994 1.474 -0.717
77 2HG2 VAL 10 2HG2 VAL 10 -1.568 0.746 -1.437
78 3HG2 VAL 10 3HG2 VAL 10 -1.587 2.475 -1.132
79 H THR 11 H THR 11 -5.990 2.937 -3.737
80 HA THR 11 HA THR 11 -6.609 3.879 -0.970
81 HB THR 11 HB THR 11 -6.081 5.821 -2.123
82 HG1 THR 11 HG1 THR 11 -8.007 6.863 -2.415
83 1HG2 THR 11 1HG2 THR 11 -7.352 4.511 -4.525
84 2HG2 THR 11 2HG2 THR 11 -6.959 6.225 -4.493
85 3HG2 THR 11 3HG2 THR 11 -5.679 5.028 -4.323
86 H GLU 12 H GLU 12 -8.268 3.004 -4.041
87 HA GLU 12 HA GLU 12 -10.876 3.023 -2.783
88 1HB GLU 12 1HB GLU 12 -11.718 2.389 -4.851
89 2HB GLU 12 2HB GLU 12 -10.190 3.108 -5.346
90 1HG GLU 12 1HG GLU 12 -9.859 1.136 -6.424
91 2HG GLU 12 2HG GLU 12 -9.433 0.520 -4.826
92 H LEU 13 H LEU 13 -8.290 0.752 -3.059
93 HA LEU 13 HA LEU 13 -9.259 -1.760 -2.789
94 1HB LEU 13 1HB LEU 13 -7.306 -2.330 -1.629
95 2HB LEU 13 2HB LEU 13 -6.853 -0.779 -2.324
96 HG LEU 13 HG LEU 13 -7.933 -1.224 0.451
97 1HD1 LEU 13 1HD1 LEU 13 -5.541 -1.966 -0.096
98 2HD1 LEU 13 2HD1 LEU 13 -5.188 -0.265 -0.399
99 3HD1 LEU 13 3HD1 LEU 13 -5.692 -0.786 1.207
100 1HD2 LEU 13 1HD2 LEU 13 -6.940 1.298 -0.906
101 2HD2 LEU 13 2HD2 LEU 13 -8.604 0.969 -0.432
102 3HD2 LEU 13 3HD2 LEU 13 -7.361 1.166 0.798
103 H THR 14 H THR 14 -10.020 -3.126 -1.087
104 HA THR 14 HA THR 14 -12.014 -1.783 0.560
105 HB THR 14 HB THR 14 -12.370 -4.221 1.378
106 HG1 THR 14 HG1 THR 14 -11.460 -5.562 -0.483
107 1HG2 THR 14 1HG2 THR 14 -12.692 -3.277 -1.475
108 2HG2 THR 14 2HG2 THR 14 -13.376 -4.801 -0.905
109 3HG2 THR 14 3HG2 THR 14 -13.900 -3.277 -0.188
110 H ASN 15 H ASN 15 -12.142 -2.967 2.940
111 HA ASN 15 HA ASN 15 -9.649 -2.050 4.255
112 1HB ASN 15 1HB ASN 15 -11.148 -2.300 6.350
113 2HB ASN 15 2HB ASN 15 -11.502 -0.989 5.226
114 2HD2 ASN 15 2HD2 ASN 15 -13.350 -1.317 3.714
115 1HD2 ASN 15 1HD2 ASN 15 -14.571 -2.432 4.098
116 H GLU 16 H GLU 16 -11.957 -4.756 4.702
117 HA GLU 16 HA GLU 16 -10.249 -6.277 6.392
118 1HB GLU 16 1HB GLU 16 -12.703 -6.638 6.082
119 2HB GLU 16 2HB GLU 16 -12.363 -7.331 4.499
120 1HG GLU 16 1HG GLU 16 -10.862 -8.998 5.613
121 2HG GLU 16 2HG GLU 16 -11.381 -8.364 7.175
122 H ASP 17 H ASP 17 -9.973 -5.682 3.042
123 HA ASP 17 HA ASP 17 -8.384 -8.181 2.685
124 1HB ASP 17 1HB ASP 17 -9.832 -6.373 0.793
125 2HB ASP 17 2HB ASP 17 -8.483 -7.335 0.198
126 H LEU 18 H LEU 18 -8.033 -4.659 2.716
127 HA LEU 18 HA LEU 18 -5.388 -4.833 1.476
128 1HB LEU 18 1HB LEU 18 -5.223 -2.540 1.650
129 2HB LEU 18 2HB LEU 18 -6.958 -2.778 1.466
130 HG LEU 18 HG LEU 18 -6.988 -2.769 4.063
131 1HD1 LEU 18 1HD1 LEU 18 -4.225 -2.415 3.563
132 2HD1 LEU 18 2HD1 LEU 18 -4.830 -0.876 4.179
133 3HD1 LEU 18 3HD1 LEU 18 -5.047 -2.352 5.122
134 1HD2 LEU 18 1HD2 LEU 18 -7.680 -0.947 2.287
135 2HD2 LEU 18 2HD2 LEU 18 -7.572 -0.514 3.992
136 3HD2 LEU 18 3HD2 LEU 18 -6.254 -0.111 2.896
137 H LEU 19 H LEU 19 -6.667 -5.307 4.588
138 HA LEU 19 HA LEU 19 -4.594 -4.491 6.289
139 1HB LEU 19 1HB LEU 19 -6.364 -6.946 6.332
140 2HB LEU 19 2HB LEU 19 -5.151 -6.679 7.580
141 HG LEU 19 HG LEU 19 -7.622 -5.062 6.973
142 1HD1 LEU 19 1HD1 LEU 19 -6.336 -6.356 9.393
143 2HD1 LEU 19 2HD1 LEU 19 -7.694 -5.235 9.530
144 3HD1 LEU 19 3HD1 LEU 19 -7.890 -6.752 8.651
145 1HD2 LEU 19 1HD2 LEU 19 -5.053 -4.140 8.261
146 2HD2 LEU 19 2HD2 LEU 19 -6.077 -3.289 7.100
147 3HD2 LEU 19 3HD2 LEU 19 -6.603 -3.475 8.772
148 H ASP 20 H ASP 20 -4.853 -7.646 4.574
149 HA ASP 20 HA ASP 20 -2.306 -8.614 5.322
150 1HB ASP 20 1HB ASP 20 -4.309 -9.475 3.616
151 2HB ASP 20 2HB ASP 20 -2.983 -9.135 2.506
152 H GLN 21 H GLN 21 -3.267 -6.332 2.816
153 HA GLN 21 HA GLN 21 -0.807 -6.063 1.462
154 1HB GLN 21 1HB GLN 21 -3.356 -4.884 1.422
155 2HB GLN 21 2HB GLN 21 -2.260 -3.545 1.692
156 1HG GLN 21 1HG GLN 21 -1.820 -5.595 -0.469
157 2HG GLN 21 2HG GLN 21 -2.748 -4.136 -0.725
158 2HE2 GLN 21 2HE2 GLN 21 -1.434 -2.601 -1.743
159 1HE2 GLN 21 1HE2 GLN 21 0.205 -2.362 -1.388
160 H LEU 22 H LEU 22 -1.955 -4.518 4.443
161 HA LEU 22 HA LEU 22 0.577 -2.995 4.590
162 1HB LEU 22 1HB LEU 22 -2.062 -2.884 5.998
163 2HB LEU 22 2HB LEU 22 -0.643 -2.398 6.921
164 HG LEU 22 HG LEU 22 -0.222 -1.118 4.546
165 1HD1 LEU 22 1HD1 LEU 22 -2.476 -1.805 3.742
166 2HD1 LEU 22 2HD1 LEU 22 -3.189 -1.001 5.143
167 3HD1 LEU 22 3HD1 LEU 22 -2.346 -0.057 3.913
168 1HD2 LEU 22 1HD2 LEU 22 -0.556 -0.406 7.166
169 2HD2 LEU 22 2HD2 LEU 22 -0.313 0.746 5.864
170 3HD2 LEU 22 3HD2 LEU 22 -1.942 0.378 6.422
171 H VAL 23 H VAL 23 -1.273 -5.049 6.847
172 HA VAL 23 HA VAL 23 0.641 -5.635 8.715
173 HB VAL 23 HB VAL 23 -1.325 -7.615 7.524
174 1HG1 VAL 23 1HG1 VAL 23 0.298 -7.582 10.073
175 2HG1 VAL 23 2HG1 VAL 23 -1.150 -8.574 9.894
176 3HG1 VAL 23 3HG1 VAL 23 0.236 -8.840 8.837
177 1HG2 VAL 23 1HG2 VAL 23 -2.226 -5.391 8.465
178 2HG2 VAL 23 2HG2 VAL 23 -2.913 -6.873 9.122
179 3HG2 VAL 23 3HG2 VAL 23 -1.693 -5.986 10.037
180 H LYS 24 H LYS 24 0.828 -6.698 5.339
181 HA LYS 24 HA LYS 24 2.789 -8.688 6.323
182 1HB LYS 24 1HB LYS 24 2.643 -9.813 4.213
183 2HB LYS 24 2HB LYS 24 0.994 -9.361 4.633
184 1HG LYS 24 1HG LYS 24 0.874 -8.315 2.655
185 2HG LYS 24 2HG LYS 24 1.991 -7.120 3.301
186 1HD LYS 24 1HD LYS 24 2.601 -9.587 1.634
187 2HD LYS 24 2HD LYS 24 2.946 -7.912 1.235
188 1HE LYS 24 1HE LYS 24 4.693 -7.808 2.944
189 2HE LYS 24 2HE LYS 24 4.277 -9.428 3.508
190 1HZ LYS 24 1HZ LYS 24 4.803 -10.235 1.247
191 2HZ LYS 24 2HZ LYS 24 5.373 -8.685 0.861
192 3HZ LYS 24 3HZ LYS 24 6.140 -9.592 2.076
193 H TYR 25 H TYR 25 2.684 -5.800 4.344
194 HA TYR 25 HA TYR 25 5.399 -6.110 3.417
195 1HB TYR 25 1HB TYR 25 3.372 -3.932 3.481
196 2HB TYR 25 2HB TYR 25 5.063 -3.445 3.377
197 HD1 TYR 25 HD1 TYR 25 6.490 -4.237 1.513
198 HD2 TYR 25 HD2 TYR 25 2.282 -5.072 1.673
199 HE1 TYR 25 HE1 TYR 25 6.534 -4.884 -0.886
200 HE2 TYR 25 HE2 TYR 25 2.313 -5.705 -0.733
201 HH TYR 25 HH TYR 25 4.254 -4.904 -2.816
202 H GLY 26 H GLY 26 4.167 -5.790 6.486
203 1HA GLY 26 1HA GLY 26 6.729 -4.656 7.454
204 2HA GLY 26 2HA GLY 26 5.619 -5.659 8.406
205 H VAL 27 H VAL 27 3.272 -4.282 7.282
206 HA VAL 27 HA VAL 27 3.614 -1.610 8.637
207 HB VAL 27 HB VAL 27 1.561 -2.279 6.510
208 1HG1 VAL 27 1HG1 VAL 27 1.009 -0.422 8.039
209 2HG1 VAL 27 2HG1 VAL 27 2.563 0.335 7.681
210 3HG1 VAL 27 3HG1 VAL 27 1.350 0.185 6.410
211 1HG2 VAL 27 1HG2 VAL 27 4.229 -2.185 5.995
212 2HG2 VAL 27 2HG2 VAL 27 3.001 -1.635 4.845
213 3HG2 VAL 27 3HG2 VAL 27 3.829 -0.472 5.886
214 H ASN 28 H ASN 28 2.316 -1.191 10.363
215 HA ASN 28 HA ASN 28 -0.039 -2.988 10.759
216 1HB ASN 28 1HB ASN 28 1.543 -3.749 12.350
217 2HB ASN 28 2HB ASN 28 2.052 -2.108 12.750
218 2HD2 ASN 28 2HD2 ASN 28 -1.365 -2.986 12.360
219 1HD2 ASN 28 1HD2 ASN 28 -1.780 -2.803 13.996
220 HA PRO 29 HA PRO 29 -1.577 1.292 10.834
221 1HB PRO 29 1HB PRO 29 -3.921 0.597 9.515
222 2HB PRO 29 2HB PRO 29 -2.442 1.114 8.711
223 1HG PRO 29 1HG PRO 29 -3.652 -1.575 8.898
224 2HG PRO 29 2HG PRO 29 -2.490 -0.917 7.716
225 1HD PRO 29 1HD PRO 29 -1.875 -2.630 9.904
226 2HD PRO 29 2HD PRO 29 -0.722 -1.821 8.853
227 H GLY 30 H GLY 30 -3.642 -1.629 11.355
228 1HA GLY 30 1HA GLY 30 -4.473 -0.433 13.938
229 2HA GLY 30 2HA GLY 30 -4.690 -2.116 13.473
230 HA PRO 31 HA PRO 31 -8.705 0.021 12.724
231 1HB PRO 31 1HB PRO 31 -8.822 2.725 13.157
232 2HB PRO 31 2HB PRO 31 -8.921 1.526 14.446
233 1HG PRO 31 1HG PRO 31 -6.713 3.368 13.715
234 2HG PRO 31 2HG PRO 31 -7.034 2.567 15.261
235 1HD PRO 31 1HD PRO 31 -5.128 1.809 13.266
236 2HD PRO 31 2HD PRO 31 -5.536 0.894 14.728
237 H ILE 32 H ILE 32 -8.567 -0.369 10.440
238 HA ILE 32 HA ILE 32 -7.657 1.839 8.692
239 HB ILE 32 HB ILE 32 -8.888 -0.843 7.988
240 1HG1 ILE 32 1HG1 ILE 32 -6.457 -0.554 9.139
241 2HG1 ILE 32 2HG1 ILE 32 -6.796 -1.765 7.913
242 1HG2 ILE 32 1HG2 ILE 32 -7.984 1.513 6.438
243 2HG2 ILE 32 2HG2 ILE 32 -7.553 -0.069 5.788
244 3HG2 ILE 32 3HG2 ILE 32 -9.245 0.339 6.072
245 1HD1 ILE 32 1HD1 ILE 32 -5.900 0.968 7.060
246 2HD1 ILE 32 2HD1 ILE 32 -4.710 -0.209 7.620
247 3HD1 ILE 32 3HD1 ILE 32 -5.726 -0.577 6.225
248 H VAL 33 H VAL 33 -9.659 2.792 10.150
249 HA VAL 33 HA VAL 33 -12.327 2.392 9.431
250 HB VAL 33 HB VAL 33 -12.448 5.016 9.767
251 1HG1 VAL 33 1HG1 VAL 33 -12.433 2.750 11.469
252 2HG1 VAL 33 2HG1 VAL 33 -11.490 3.995 12.288
253 3HG1 VAL 33 3HG1 VAL 33 -13.149 4.329 11.794
254 1HG2 VAL 33 1HG2 VAL 33 -9.747 4.838 9.528
255 2HG2 VAL 33 2HG2 VAL 33 -10.552 6.090 10.474
256 3HG2 VAL 33 3HG2 VAL 33 -9.915 4.657 11.276
257 H GLY 34 H GLY 34 -13.613 4.150 8.053
258 1HA GLY 34 1HA GLY 34 -14.125 4.784 5.848
259 2HA GLY 34 2HA GLY 34 -12.754 3.808 5.323
260 H THR 35 H THR 35 -11.725 5.939 7.677
261 HA THR 35 HA THR 35 -11.097 8.087 5.721
262 HB THR 35 HB THR 35 -10.220 8.882 8.261
263 HG1 THR 35 HG1 THR 35 -12.289 8.539 9.385
264 1HG2 THR 35 1HG2 THR 35 -11.410 10.169 6.415
265 2HG2 THR 35 2HG2 THR 35 -12.916 9.491 7.033
266 3HG2 THR 35 3HG2 THR 35 -11.935 10.539 8.057
267 H THR 36 H THR 36 -9.718 5.316 6.804
268 HA THR 36 HA THR 36 -7.004 6.507 6.986
269 HB THR 36 HB THR 36 -6.439 4.071 7.691
270 HG1 THR 36 HG1 THR 36 -8.439 3.190 7.082
271 1HG2 THR 36 1HG2 THR 36 -8.172 5.934 9.329
272 2HG2 THR 36 2HG2 THR 36 -7.175 4.638 10.003
273 3HG2 THR 36 3HG2 THR 36 -6.416 6.008 9.173
274 H ARG 37 H ARG 37 -8.592 3.721 5.312
275 HA ARG 37 HA ARG 37 -6.636 2.784 3.722
276 1HB ARG 37 1HB ARG 37 -9.241 3.706 2.508
277 2HB ARG 37 2HB ARG 37 -8.152 2.512 1.829
278 1HG ARG 37 1HG ARG 37 -9.516 1.035 2.884
279 2HG ARG 37 2HG ARG 37 -8.505 1.420 4.281
280 1HD ARG 37 1HD ARG 37 -11.362 1.935 3.945
281 2HD ARG 37 2HD ARG 37 -10.380 2.247 5.368
282 HE ARG 37 HE ARG 37 -9.918 4.502 4.483
283 1HH1 ARG 37 1HH1 ARG 37 -10.329 5.883 2.622
284 2HH1 ARG 37 2HH1 ARG 37 -11.911 5.798 1.922
285 1HH2 ARG 37 1HH2 ARG 37 -12.838 2.961 3.676
286 2HH2 ARG 37 2HH2 ARG 37 -13.324 4.148 2.515
287 H LYS 38 H LYS 38 -8.068 6.023 3.159
288 HA LYS 38 HA LYS 38 -6.531 6.648 0.837
289 1HB LYS 38 1HB LYS 38 -7.665 8.386 3.047
290 2HB LYS 38 2HB LYS 38 -6.862 9.049 1.623
291 1HG LYS 38 1HG LYS 38 -8.707 7.148 0.649
292 2HG LYS 38 2HG LYS 38 -9.568 8.061 1.887
293 1HD LYS 38 1HD LYS 38 -9.325 10.083 0.755
294 2HD LYS 38 2HD LYS 38 -7.889 9.540 -0.112
295 1HE LYS 38 1HE LYS 38 -9.295 7.985 -1.439
296 2HE LYS 38 2HE LYS 38 -10.725 8.574 -0.592
297 1HZ LYS 38 1HZ LYS 38 -9.735 10.871 -1.393
298 2HZ LYS 38 2HZ LYS 38 -9.088 9.892 -2.618
299 3HZ LYS 38 3HZ LYS 38 -10.768 9.946 -2.374
300 H LEU 39 H LEU 39 -5.976 7.450 4.264
301 HA LEU 39 HA LEU 39 -3.392 8.538 4.079
302 1HB LEU 39 1HB LEU 39 -5.080 8.013 6.148
303 2HB LEU 39 2HB LEU 39 -3.951 6.681 6.345
304 HG LEU 39 HG LEU 39 -3.168 9.593 6.208
305 1HD1 LEU 39 1HD1 LEU 39 -3.273 7.638 8.528
306 2HD1 LEU 39 2HD1 LEU 39 -2.631 9.279 8.611
307 3HD1 LEU 39 3HD1 LEU 39 -4.349 9.016 8.300
308 1HD2 LEU 39 1HD2 LEU 39 -1.643 7.007 6.610
309 2HD2 LEU 39 2HD2 LEU 39 -1.389 8.207 5.343
310 3HD2 LEU 39 3HD2 LEU 39 -0.963 8.584 7.015
311 H TYR 40 H TYR 40 -4.133 5.157 4.945
312 HA TYR 40 HA TYR 40 -1.444 4.260 4.678
313 1HB TYR 40 1HB TYR 40 -4.106 2.823 4.623
314 2HB TYR 40 2HB TYR 40 -2.564 1.974 4.608
315 HD1 TYR 40 HD1 TYR 40 -0.803 2.877 6.413
316 HD2 TYR 40 HD2 TYR 40 -5.072 3.272 6.693
317 HE1 TYR 40 HE1 TYR 40 -0.614 3.181 8.863
318 HE2 TYR 40 HE2 TYR 40 -4.882 3.587 9.144
319 HH TYR 40 HH TYR 40 -2.944 2.781 10.956
320 H GLU 41 H GLU 41 -3.736 5.115 2.325
321 HA GLU 41 HA GLU 41 -3.099 3.367 0.173
322 1HB GLU 41 1HB GLU 41 -4.492 4.742 -1.010
323 2HB GLU 41 2HB GLU 41 -4.764 5.547 0.528
324 1HG GLU 41 1HG GLU 41 -3.027 7.170 0.056
325 2HG GLU 41 2HG GLU 41 -2.556 6.277 -1.386
326 H LYS 42 H LYS 42 -1.241 5.815 1.756
327 HA LYS 42 HA LYS 42 0.749 5.614 -0.438
328 1HB LYS 42 1HB LYS 42 0.091 7.903 -0.242
329 2HB LYS 42 2HB LYS 42 0.103 7.841 1.517
330 1HG LYS 42 1HG LYS 42 2.101 8.998 0.378
331 2HG LYS 42 2HG LYS 42 2.470 7.796 1.613
332 1HD LYS 42 1HD LYS 42 3.906 7.321 -0.244
333 2HD LYS 42 2HD LYS 42 2.644 6.098 -0.262
334 1HE LYS 42 1HE LYS 42 1.588 8.201 -1.768
335 2HE LYS 42 2HE LYS 42 3.276 8.102 -2.267
336 1HZ LYS 42 1HZ LYS 42 1.465 5.759 -2.105
337 2HZ LYS 42 2HZ LYS 42 1.743 6.633 -3.532
338 3HZ LYS 42 3HZ LYS 42 3.019 5.805 -2.779
339 H LYS 43 H LYS 43 0.360 5.945 3.107
340 HA LYS 43 HA LYS 43 2.900 5.538 4.073
341 1HB LYS 43 1HB LYS 43 0.348 5.237 5.145
342 2HB LYS 43 2HB LYS 43 1.118 3.661 5.387
343 1HG LYS 43 1HG LYS 43 1.803 4.842 7.282
344 2HG LYS 43 2HG LYS 43 3.157 5.059 6.192
345 1HD LYS 43 1HD LYS 43 2.297 7.261 5.529
346 2HD LYS 43 2HD LYS 43 0.883 7.032 6.559
347 1HE LYS 43 1HE LYS 43 3.764 7.130 7.509
348 2HE LYS 43 2HE LYS 43 2.579 8.422 7.691
349 1HZ LYS 43 1HZ LYS 43 1.220 6.441 8.760
350 2HZ LYS 43 2HZ LYS 43 2.786 5.879 9.101
351 3HZ LYS 43 3HZ LYS 43 2.290 7.396 9.670
352 H LEU 44 H LEU 44 0.770 2.941 2.871
353 HA LEU 44 HA LEU 44 2.877 0.954 3.250
354 1HB LEU 44 1HB LEU 44 1.034 -0.305 3.449
355 2HB LEU 44 2HB LEU 44 0.027 1.047 2.936
356 HG LEU 44 HG LEU 44 0.729 0.438 0.564
357 1HD1 LEU 44 1HD1 LEU 44 -1.087 -1.080 2.391
358 2HD1 LEU 44 2HD1 LEU 44 -1.500 0.056 1.106
359 3HD1 LEU 44 3HD1 LEU 44 -0.955 -1.580 0.703
360 1HD2 LEU 44 1HD2 LEU 44 2.153 -1.531 2.141
361 2HD2 LEU 44 2HD2 LEU 44 0.998 -2.349 1.083
362 3HD2 LEU 44 3HD2 LEU 44 2.216 -1.278 0.391
363 H LEU 45 H LEU 45 1.290 2.687 0.642
364 HA LEU 45 HA LEU 45 2.361 1.426 -1.627
365 1HB LEU 45 1HB LEU 45 1.024 3.837 -1.111
366 2HB LEU 45 2HB LEU 45 2.510 4.293 -1.881
367 HG LEU 45 HG LEU 45 1.885 2.358 -3.556
368 1HD1 LEU 45 1HD1 LEU 45 -0.033 1.690 -2.197
369 2HD1 LEU 45 2HD1 LEU 45 -0.721 3.267 -2.504
370 3HD1 LEU 45 3HD1 LEU 45 -0.476 2.156 -3.841
371 1HD2 LEU 45 1HD2 LEU 45 0.539 5.062 -3.480
372 2HD2 LEU 45 2HD2 LEU 45 2.135 4.733 -4.161
373 3HD2 LEU 45 3HD2 LEU 45 0.693 4.055 -4.923
374 H LYS 46 H LYS 46 3.963 3.509 0.707
375 HA LYS 46 HA LYS 46 6.203 4.139 -0.970
376 1HB LYS 46 1HB LYS 46 5.411 5.132 1.374
377 2HB LYS 46 2HB LYS 46 6.536 3.927 1.999
378 1HG LYS 46 1HG LYS 46 7.926 5.791 1.705
379 2HG LYS 46 2HG LYS 46 8.172 4.905 0.200
380 1HD LYS 46 1HD LYS 46 7.214 6.543 -1.037
381 2HD LYS 46 2HD LYS 46 5.868 6.715 0.090
382 1HE LYS 46 1HE LYS 46 8.626 7.773 0.730
383 2HE LYS 46 2HE LYS 46 7.441 8.738 -0.152
384 1HZ LYS 46 1HZ LYS 46 6.460 7.449 2.251
385 2HZ LYS 46 2HZ LYS 46 7.619 8.665 2.508
386 3HZ LYS 46 3HZ LYS 46 6.188 9.023 1.670
387 H LEU 47 H LEU 47 5.680 1.717 1.567
388 HA LEU 47 HA LEU 47 8.216 0.380 1.234
389 1HB LEU 47 1HB LEU 47 5.574 -0.666 2.280
390 2HB LEU 47 2HB LEU 47 7.147 -1.407 2.556
391 HG LEU 47 HG LEU 47 6.726 1.457 3.337
392 1HD1 LEU 47 1HD1 LEU 47 8.503 -0.846 4.055
393 2HD1 LEU 47 2HD1 LEU 47 8.927 0.836 3.740
394 3HD1 LEU 47 3HD1 LEU 47 8.194 0.386 5.279
395 1HD2 LEU 47 1HD2 LEU 47 5.164 -0.760 4.312
396 2HD2 LEU 47 2HD2 LEU 47 6.231 -0.195 5.598
397 3HD2 LEU 47 3HD2 LEU 47 5.113 0.929 4.826
398 H ARG 48 H ARG 48 5.479 0.566 -0.731
399 HA ARG 48 HA ARG 48 6.209 -1.981 -2.116
400 1HB ARG 48 1HB ARG 48 4.158 -2.559 -1.215
401 2HB ARG 48 2HB ARG 48 3.604 -0.895 -1.142
402 1HG ARG 48 1HG ARG 48 3.942 -2.310 -3.778
403 2HG ARG 48 2HG ARG 48 2.461 -2.466 -2.836
404 1HD ARG 48 1HD ARG 48 3.376 0.313 -3.068
405 2HD ARG 48 2HD ARG 48 3.001 -0.414 -4.627
406 HE ARG 48 HE ARG 48 1.065 0.510 -2.852
407 1HH1 ARG 48 1HH1 ARG 48 1.850 -2.269 -4.735
408 2HH1 ARG 48 2HH1 ARG 48 0.256 -2.937 -4.661
409 1HH2 ARG 48 1HH2 ARG 48 -0.995 -0.429 -2.642
410 2HH2 ARG 48 2HH2 ARG 48 -1.347 -1.900 -3.476
411 H GLU 49 H GLU 49 6.419 1.245 -2.448
412 HA GLU 49 HA GLU 49 5.273 1.548 -5.101
413 1HB GLU 49 1HB GLU 49 5.123 3.491 -3.784
414 2HB GLU 49 2HB GLU 49 6.758 3.301 -3.150
415 1HG GLU 49 1HG GLU 49 7.711 4.259 -4.957
416 2HG GLU 49 2HG GLU 49 6.532 3.568 -6.070
417 H GLN 50 H GLN 50 6.665 -0.352 -5.748
418 HA GLN 50 HA GLN 50 9.491 -0.185 -6.026
419 1HB GLN 50 1HB GLN 50 8.426 -2.313 -6.295
420 2HB GLN 50 2HB GLN 50 7.339 -1.687 -7.532
421 1HG GLN 50 1HG GLN 50 9.880 -1.185 -8.583
422 2HG GLN 50 2HG GLN 50 10.046 -2.763 -7.815
423 2HE2 GLN 50 2HE2 GLN 50 9.939 -4.119 -9.661
424 1HE2 GLN 50 1HE2 GLN 50 8.607 -4.168 -10.713
425 H GLY 51 H GLY 51 10.776 0.584 -7.721
426 1HA GLY 51 1HA GLY 51 10.174 1.263 -10.312
427 2HA GLY 51 2HA GLY 51 11.340 2.181 -9.363
428 H THR 52 H THR 52 10.780 4.240 -8.682
429 HA THR 52 HA THR 52 8.441 5.442 -9.940
430 HB THR 52 HB THR 52 7.947 6.367 -7.412
431 HG1 THR 52 HG1 THR 52 8.491 3.602 -7.161
432 1HG2 THR 52 1HG2 THR 52 6.757 3.910 -8.741
433 2HG2 THR 52 2HG2 THR 52 6.022 4.781 -7.397
434 3HG2 THR 52 3HG2 THR 52 6.221 5.578 -8.954
435 H GLU 53 H GLU 53 9.027 7.537 -10.466
436 HA GLU 53 HA GLU 53 11.610 8.548 -9.672
437 1HB GLU 53 1HB GLU 53 10.921 10.591 -10.898
438 2HB GLU 53 2HB GLU 53 10.606 9.134 -11.839
439 1HG GLU 53 1HG GLU 53 8.246 9.231 -10.703
440 2HG GLU 53 2HG GLU 53 8.655 10.922 -10.411
441 H SER 54 H SER 54 8.324 9.039 -8.521
442 HA SER 54 HA SER 54 7.628 9.962 -6.463
443 1HB SER 54 1HB SER 54 10.076 9.209 -5.804
444 2HB SER 54 2HB SER 54 10.404 10.941 -5.882
445 HG SER 54 HG SER 54 8.333 9.720 -4.379
446 H ARG 55 H ARG 55 7.204 11.407 -8.704
447 HA ARG 55 HA ARG 55 8.223 14.153 -8.145
448 1HB ARG 55 1HB ARG 55 7.221 12.739 -10.575
449 2HB ARG 55 2HB ARG 55 6.907 14.471 -10.456
450 1HG ARG 55 1HG ARG 55 9.646 13.236 -10.059
451 2HG ARG 55 2HG ARG 55 9.084 13.882 -11.600
452 1HD ARG 55 1HD ARG 55 9.308 15.428 -8.994
453 2HD ARG 55 2HD ARG 55 10.391 15.579 -10.384
454 HE ARG 55 HE ARG 55 7.710 16.057 -11.299
455 1HH1 ARG 55 1HH1 ARG 55 8.295 18.198 -12.345
456 2HH1 ARG 55 2HH1 ARG 55 8.592 19.479 -11.217
457 1HH2 ARG 55 1HH2 ARG 55 8.903 17.363 -8.487
458 2HH2 ARG 55 2HH2 ARG 55 8.937 19.006 -9.033
459 H SER 56 H SER 56 6.707 14.213 -6.252
460 HA SER 56 HA SER 56 3.833 14.281 -6.878
461 1HB SER 56 1HB SER 56 4.218 15.332 -4.310
462 2HB SER 56 2HB SER 56 3.791 13.667 -4.706
463 HG SER 56 HG SER 56 5.675 13.739 -3.457
464 H SER 57 H SER 57 4.544 16.108 -8.517
465 HA SER 57 HA SER 57 4.870 18.741 -7.231
466 1HB SER 57 1HB SER 57 4.333 18.384 -10.162
467 2HB SER 57 2HB SER 57 5.369 19.561 -9.354
468 HG SER 57 HG SER 57 6.597 17.563 -8.710
No H/Q in entry = 468
Start of MODEL 3
1 H1 ARG 1 H1 ARG 1 10.658 -0.574 -13.092
2 H2 ARG 1 H2 ARG 1 11.898 -0.937 -14.196
3 H3 ARG 1 H3 ARG 1 11.630 0.669 -13.721
4 HA ARG 1 HA ARG 1 9.711 0.884 -14.963
5 1HB ARG 1 1HB ARG 1 11.636 0.755 -16.448
6 2HB ARG 1 2HB ARG 1 11.568 -1.007 -16.440
7 1HG ARG 1 1HG ARG 1 10.521 -0.218 -18.481
8 2HG ARG 1 2HG ARG 1 9.258 -0.854 -17.425
9 1HD ARG 1 1HD ARG 1 8.345 1.204 -18.118
10 2HD ARG 1 2HD ARG 1 9.085 1.619 -16.567
11 HE ARG 1 HE ARG 1 11.043 2.022 -18.625
12 1HH1 ARG 1 1HH1 ARG 1 8.837 3.572 -16.620
13 2HH1 ARG 1 2HH1 ARG 1 8.761 5.037 -17.541
14 1HH2 ARG 1 1HH2 ARG 1 10.597 3.775 -20.198
15 2HH2 ARG 1 2HH2 ARG 1 9.758 5.152 -19.566
16 H GLN 2 H GLN 2 10.379 -2.361 -13.960
17 HA GLN 2 HA GLN 2 7.665 -3.185 -14.916
18 1HB GLN 2 1HB GLN 2 10.104 -4.902 -14.355
19 2HB GLN 2 2HB GLN 2 8.520 -5.515 -14.830
20 1HG GLN 2 1HG GLN 2 9.638 -3.391 -16.568
21 2HG GLN 2 2HG GLN 2 10.498 -4.931 -16.605
22 2HE2 GLN 2 2HE2 GLN 2 8.986 -3.987 -18.865
23 1HE2 GLN 2 1HE2 GLN 2 7.661 -5.024 -19.086
24 H GLU 3 H GLU 3 7.016 -5.230 -13.381
25 HA GLU 3 HA GLU 3 6.016 -5.589 -11.267
26 1HB GLU 3 1HB GLU 3 7.679 -6.061 -9.548
27 2HB GLU 3 2HB GLU 3 8.346 -6.591 -11.095
28 1HG GLU 3 1HG GLU 3 9.830 -4.787 -11.222
29 2HG GLU 3 2HG GLU 3 8.896 -3.808 -10.093
30 H ASP 4 H ASP 4 5.612 -2.959 -12.080
31 HA ASP 4 HA ASP 4 6.374 -0.777 -10.634
32 1HB ASP 4 1HB ASP 4 3.536 -1.634 -11.265
33 2HB ASP 4 2HB ASP 4 3.943 -0.035 -10.648
34 H LYS 5 H LYS 5 4.284 -3.360 -9.405
35 HA LYS 5 HA LYS 5 3.996 -4.052 -7.169
36 1HB LYS 5 1HB LYS 5 6.312 -2.648 -6.945
37 2HB LYS 5 2HB LYS 5 5.242 -1.654 -5.961
38 1HG LYS 5 1HG LYS 5 6.270 -3.336 -4.542
39 2HG LYS 5 2HG LYS 5 4.555 -3.700 -4.706
40 1HD LYS 5 1HD LYS 5 6.114 -4.936 -6.838
41 2HD LYS 5 2HD LYS 5 6.707 -5.428 -5.255
42 1HE LYS 5 1HE LYS 5 4.482 -6.181 -4.601
43 2HE LYS 5 2HE LYS 5 3.795 -5.566 -6.107
44 1HZ LYS 5 1HZ LYS 5 6.013 -7.301 -6.563
45 2HZ LYS 5 2HZ LYS 5 4.783 -8.076 -5.684
46 3HZ LYS 5 3HZ LYS 5 4.435 -7.376 -7.189
47 H ASP 6 H ASP 6 3.948 -0.441 -7.069
48 HA ASP 6 HA ASP 6 1.338 -0.545 -5.722
49 1HB ASP 6 1HB ASP 6 1.524 2.033 -6.106
50 2HB ASP 6 2HB ASP 6 2.624 1.267 -4.958
51 H ASP 7 H ASP 7 1.258 -1.728 -8.345
52 HA ASP 7 HA ASP 7 0.165 0.153 -10.245
53 1HB ASP 7 1HB ASP 7 -0.501 -1.822 -11.511
54 2HB ASP 7 2HB ASP 7 1.119 -2.088 -10.866
55 H LEU 8 H LEU 8 -1.016 -1.425 -7.435
56 HA LEU 8 HA LEU 8 -3.847 -1.343 -8.157
57 1HB LEU 8 1HB LEU 8 -2.615 -2.864 -6.393
58 2HB LEU 8 2HB LEU 8 -2.818 -1.474 -5.329
59 HG LEU 8 HG LEU 8 -5.322 -1.849 -6.565
60 1HD1 LEU 8 1HD1 LEU 8 -4.003 -4.434 -5.720
61 2HD1 LEU 8 2HD1 LEU 8 -5.755 -4.240 -5.772
62 3HD1 LEU 8 3HD1 LEU 8 -4.807 -4.082 -7.250
63 1HD2 LEU 8 1HD2 LEU 8 -4.127 -1.787 -3.933
64 2HD2 LEU 8 2HD2 LEU 8 -5.750 -1.307 -4.428
65 3HD2 LEU 8 3HD2 LEU 8 -5.419 -2.986 -4.000
66 H ASP 9 H ASP 9 -5.391 0.046 -6.900
67 HA ASP 9 HA ASP 9 -4.537 2.809 -6.906
68 1HB ASP 9 1HB ASP 9 -7.017 1.331 -6.642
69 2HB ASP 9 2HB ASP 9 -6.930 2.610 -5.430
70 H VAL 10 H VAL 10 -4.818 0.309 -4.478
71 HA VAL 10 HA VAL 10 -4.179 0.219 -2.244
72 HB VAL 10 HB VAL 10 -2.728 2.733 -2.082
73 1HG1 VAL 10 1HG1 VAL 10 -2.420 1.066 -4.535
74 2HG1 VAL 10 2HG1 VAL 10 -2.249 2.809 -4.326
75 3HG1 VAL 10 3HG1 VAL 10 -0.972 1.723 -3.778
76 1HG2 VAL 10 1HG2 VAL 10 -2.374 -0.159 -1.597
77 2HG2 VAL 10 2HG2 VAL 10 -0.896 0.706 -2.018
78 3HG2 VAL 10 3HG2 VAL 10 -1.849 1.216 -0.624
79 H THR 11 H THR 11 -6.258 2.522 -3.374
80 HA THR 11 HA THR 11 -6.760 3.473 -0.592
81 HB THR 11 HB THR 11 -6.213 5.539 -1.353
82 HG1 THR 11 HG1 THR 11 -8.520 5.564 -1.295
83 1HG2 THR 11 1HG2 THR 11 -6.596 4.388 -4.120
84 2HG2 THR 11 2HG2 THR 11 -6.248 6.094 -3.851
85 3HG2 THR 11 3HG2 THR 11 -5.089 4.867 -3.336
86 H GLU 12 H GLU 12 -8.336 3.405 -3.825
87 HA GLU 12 HA GLU 12 -10.997 3.313 -2.815
88 1HB GLU 12 1HB GLU 12 -11.654 2.609 -5.006
89 2HB GLU 12 2HB GLU 12 -10.237 3.630 -5.257
90 1HG GLU 12 1HG GLU 12 -8.819 1.568 -5.279
91 2HG GLU 12 2HG GLU 12 -10.286 0.599 -5.179
92 H LEU 13 H LEU 13 -8.484 0.958 -3.099
93 HA LEU 13 HA LEU 13 -9.722 -1.496 -3.043
94 1HB LEU 13 1HB LEU 13 -7.688 -2.284 -2.301
95 2HB LEU 13 2HB LEU 13 -7.190 -0.629 -2.636
96 HG LEU 13 HG LEU 13 -8.097 -1.699 0.034
97 1HD1 LEU 13 1HD1 LEU 13 -5.446 -1.183 -1.269
98 2HD1 LEU 13 2HD1 LEU 13 -5.594 -0.885 0.462
99 3HD1 LEU 13 3HD1 LEU 13 -5.916 -2.494 -0.187
100 1HD2 LEU 13 1HD2 LEU 13 -8.619 0.753 -0.530
101 2HD2 LEU 13 2HD2 LEU 13 -7.679 0.460 0.931
102 3HD2 LEU 13 3HD2 LEU 13 -6.874 0.999 -0.540
103 H THR 14 H THR 14 -10.229 -2.943 -1.156
104 HA THR 14 HA THR 14 -12.152 -1.549 0.545
105 HB THR 14 HB THR 14 -12.464 -3.990 1.417
106 HG1 THR 14 HG1 THR 14 -11.698 -5.289 -0.573
107 1HG2 THR 14 1HG2 THR 14 -12.995 -3.034 -1.400
108 2HG2 THR 14 2HG2 THR 14 -13.642 -4.555 -0.784
109 3HG2 THR 14 3HG2 THR 14 -14.102 -3.032 -0.025
110 H ASN 15 H ASN 15 -12.200 -2.719 2.938
111 HA ASN 15 HA ASN 15 -9.684 -1.777 4.176
112 1HB ASN 15 1HB ASN 15 -11.104 -2.069 6.322
113 2HB ASN 15 2HB ASN 15 -11.531 -0.762 5.216
114 2HD2 ASN 15 2HD2 ASN 15 -12.688 -3.676 6.702
115 1HD2 ASN 15 1HD2 ASN 15 -14.179 -3.747 5.894
116 H GLU 16 H GLU 16 -11.926 -4.515 4.719
117 HA GLU 16 HA GLU 16 -10.143 -6.021 6.324
118 1HB GLU 16 1HB GLU 16 -11.662 -7.810 6.081
119 2HB GLU 16 2HB GLU 16 -12.656 -6.368 5.898
120 1HG GLU 16 1HG GLU 16 -11.685 -6.963 3.315
121 2HG GLU 16 2HG GLU 16 -12.200 -8.501 4.006
122 H ASP 17 H ASP 17 -10.206 -5.583 2.884
123 HA ASP 17 HA ASP 17 -8.486 -7.951 2.460
124 1HB ASP 17 1HB ASP 17 -10.131 -6.197 0.759
125 2HB ASP 17 2HB ASP 17 -8.619 -6.727 0.024
126 H LEU 18 H LEU 18 -8.123 -4.443 2.689
127 HA LEU 18 HA LEU 18 -5.494 -4.571 1.409
128 1HB LEU 18 1HB LEU 18 -5.321 -2.284 1.650
129 2HB LEU 18 2HB LEU 18 -7.063 -2.504 1.509
130 HG LEU 18 HG LEU 18 -7.037 -2.572 4.098
131 1HD1 LEU 18 1HD1 LEU 18 -4.277 -2.274 3.565
132 2HD1 LEU 18 2HD1 LEU 18 -4.832 -0.745 4.246
133 3HD1 LEU 18 3HD1 LEU 18 -5.069 -2.249 5.140
134 1HD2 LEU 18 1HD2 LEU 18 -7.853 -0.710 2.566
135 2HD2 LEU 18 2HD2 LEU 18 -7.359 -0.217 4.190
136 3HD2 LEU 18 3HD2 LEU 18 -6.280 0.046 2.820
137 H LEU 19 H LEU 19 -6.733 -5.070 4.570
138 HA LEU 19 HA LEU 19 -4.565 -4.325 6.185
139 1HB LEU 19 1HB LEU 19 -6.410 -6.723 6.335
140 2HB LEU 19 2HB LEU 19 -5.178 -6.421 7.555
141 HG LEU 19 HG LEU 19 -7.637 -4.798 6.912
142 1HD1 LEU 19 1HD1 LEU 19 -6.321 -6.020 9.347
143 2HD1 LEU 19 2HD1 LEU 19 -7.612 -4.823 9.495
144 3HD1 LEU 19 3HD1 LEU 19 -7.925 -6.359 8.687
145 1HD2 LEU 19 1HD2 LEU 19 -5.043 -3.833 8.122
146 2HD2 LEU 19 2HD2 LEU 19 -6.053 -3.044 6.906
147 3HD2 LEU 19 3HD2 LEU 19 -6.584 -3.116 8.584
148 H ASP 20 H ASP 20 -5.016 -7.470 4.486
149 HA ASP 20 HA ASP 20 -2.494 -8.551 5.156
150 1HB ASP 20 1HB ASP 20 -4.569 -9.330 3.517
151 2HB ASP 20 2HB ASP 20 -3.288 -9.002 2.351
152 H GLN 21 H GLN 21 -3.408 -6.179 2.733
153 HA GLN 21 HA GLN 21 -0.930 -6.032 1.339
154 1HB GLN 21 1HB GLN 21 -3.453 -4.829 1.202
155 2HB GLN 21 2HB GLN 21 -2.369 -3.481 1.510
156 1HG GLN 21 1HG GLN 21 -1.457 -5.421 -0.545
157 2HG GLN 21 2HG GLN 21 -2.878 -4.477 -0.961
158 2HE2 GLN 21 2HE2 GLN 21 -1.937 -2.897 -2.386
159 1HE2 GLN 21 1HE2 GLN 21 -0.677 -1.876 -1.895
160 H LEU 22 H LEU 22 -2.044 -4.396 4.294
161 HA LEU 22 HA LEU 22 0.487 -2.874 4.404
162 1HB LEU 22 1HB LEU 22 -2.129 -2.767 5.828
163 2HB LEU 22 2HB LEU 22 -0.710 -2.333 6.776
164 HG LEU 22 HG LEU 22 -0.266 -1.019 4.412
165 1HD1 LEU 22 1HD1 LEU 22 -2.577 -1.623 3.684
166 2HD1 LEU 22 2HD1 LEU 22 -3.202 -0.772 5.101
167 3HD1 LEU 22 3HD1 LEU 22 -2.353 0.116 3.834
168 1HD2 LEU 22 1HD2 LEU 22 -0.511 -0.356 7.056
169 2HD2 LEU 22 2HD2 LEU 22 -0.234 0.809 5.778
170 3HD2 LEU 22 3HD2 LEU 22 -1.867 0.511 6.354
171 H VAL 23 H VAL 23 -1.304 -4.998 6.635
172 HA VAL 23 HA VAL 23 0.678 -5.540 8.480
173 HB VAL 23 HB VAL 23 -1.335 -7.540 7.414
174 1HG1 VAL 23 1HG1 VAL 23 0.523 -7.450 9.740
175 2HG1 VAL 23 2HG1 VAL 23 -1.089 -8.103 10.028
176 3HG1 VAL 23 3HG1 VAL 23 -0.046 -8.834 8.807
177 1HG2 VAL 23 1HG2 VAL 23 -2.013 -5.121 8.403
178 2HG2 VAL 23 2HG2 VAL 23 -2.974 -6.568 8.700
179 3HG2 VAL 23 3HG2 VAL 23 -1.827 -6.005 9.915
180 H LYS 24 H LYS 24 0.835 -6.522 5.115
181 HA LYS 24 HA LYS 24 2.694 -8.635 6.029
182 1HB LYS 24 1HB LYS 24 2.478 -9.715 3.917
183 2HB LYS 24 2HB LYS 24 0.857 -9.172 4.334
184 1HG LYS 24 1HG LYS 24 0.803 -8.094 2.370
185 2HG LYS 24 2HG LYS 24 1.999 -6.983 3.020
186 1HD LYS 24 1HD LYS 24 2.438 -9.477 1.338
187 2HD LYS 24 2HD LYS 24 2.901 -7.828 0.950
188 1HE LYS 24 1HE LYS 24 4.632 -7.862 2.697
189 2HE LYS 24 2HE LYS 24 4.125 -9.481 3.187
190 1HZ LYS 24 1HZ LYS 24 4.554 -10.084 0.762
191 2HZ LYS 24 2HZ LYS 24 5.438 -8.638 0.691
192 3HZ LYS 24 3HZ LYS 24 5.895 -9.860 1.781
193 H TYR 25 H TYR 25 2.758 -5.700 4.038
194 HA TYR 25 HA TYR 25 5.486 -6.158 3.200
195 1HB TYR 25 1HB TYR 25 3.718 -3.728 3.322
196 2HB TYR 25 2HB TYR 25 5.431 -3.540 3.092
197 HD1 TYR 25 HD1 TYR 25 6.555 -4.278 1.093
198 HD2 TYR 25 HD2 TYR 25 2.342 -4.909 1.633
199 HE1 TYR 25 HE1 TYR 25 6.338 -4.865 -1.311
200 HE2 TYR 25 HE2 TYR 25 2.117 -5.486 -0.774
201 HH TYR 25 HH TYR 25 4.778 -6.168 -2.750
202 H GLY 26 H GLY 26 4.144 -5.735 6.223
203 1HA GLY 26 1HA GLY 26 6.729 -4.735 7.292
204 2HA GLY 26 2HA GLY 26 5.574 -5.739 8.190
205 H VAL 27 H VAL 27 3.277 -4.290 7.056
206 HA VAL 27 HA VAL 27 3.650 -1.646 8.453
207 HB VAL 27 HB VAL 27 1.614 -2.249 6.289
208 1HG1 VAL 27 1HG1 VAL 27 1.068 -0.431 7.873
209 2HG1 VAL 27 2HG1 VAL 27 2.622 0.331 7.523
210 3HG1 VAL 27 3HG1 VAL 27 1.406 0.202 6.254
211 1HG2 VAL 27 1HG2 VAL 27 4.333 -2.106 5.875
212 2HG2 VAL 27 2HG2 VAL 27 3.114 -1.657 4.674
213 3HG2 VAL 27 3HG2 VAL 27 3.852 -0.419 5.696
214 H ASN 28 H ASN 28 2.400 -1.269 10.195
215 HA ASN 28 HA ASN 28 -0.091 -2.880 10.495
216 1HB ASN 28 1HB ASN 28 1.776 -2.133 12.760
217 2HB ASN 28 2HB ASN 28 0.332 -3.145 12.860
218 2HD2 ASN 28 2HD2 ASN 28 2.250 -4.644 13.786
219 1HD2 ASN 28 1HD2 ASN 28 2.977 -5.663 12.635
220 HA PRO 29 HA PRO 29 -1.194 1.487 10.864
221 1HB PRO 29 1HB PRO 29 -3.673 1.122 9.645
222 2HB PRO 29 2HB PRO 29 -2.178 1.494 8.790
223 1HG PRO 29 1HG PRO 29 -3.687 -1.043 8.939
224 2HG PRO 29 2HG PRO 29 -2.513 -0.472 7.733
225 1HD PRO 29 1HD PRO 29 -2.005 -2.329 9.846
226 2HD PRO 29 2HD PRO 29 -0.809 -1.646 8.750
227 H GLY 30 H GLY 30 -3.727 -1.090 11.327
228 1HA GLY 30 1HA GLY 30 -3.984 -0.048 14.098
229 2HA GLY 30 2HA GLY 30 -4.476 -1.645 13.572
230 HA PRO 31 HA PRO 31 -8.066 1.336 13.679
231 1HB PRO 31 1HB PRO 31 -7.606 3.982 13.133
232 2HB PRO 31 2HB PRO 31 -7.419 3.247 14.725
233 1HG PRO 31 1HG PRO 31 -5.367 4.182 12.806
234 2HG PRO 31 2HG PRO 31 -5.225 3.898 14.548
235 1HD PRO 31 1HD PRO 31 -4.358 2.188 12.410
236 2HD PRO 31 2HD PRO 31 -4.288 1.822 14.142
237 H ILE 32 H ILE 32 -7.409 0.134 11.127
238 HA ILE 32 HA ILE 32 -8.075 2.056 9.019
239 HB ILE 32 HB ILE 32 -8.450 -0.957 8.916
240 1HG1 ILE 32 1HG1 ILE 32 -6.034 0.270 9.485
241 2HG1 ILE 32 2HG1 ILE 32 -6.209 -1.300 8.715
242 1HG2 ILE 32 1HG2 ILE 32 -9.344 0.816 7.174
243 2HG2 ILE 32 2HG2 ILE 32 -7.694 0.750 6.580
244 3HG2 ILE 32 3HG2 ILE 32 -8.659 -0.714 6.641
245 1HD1 ILE 32 1HD1 ILE 32 -6.267 1.169 6.998
246 2HD1 ILE 32 2HD1 ILE 32 -4.717 0.554 7.581
247 3HD1 ILE 32 3HD1 ILE 32 -5.761 -0.465 6.589
248 H VAL 33 H VAL 33 -9.945 3.095 9.868
249 HA VAL 33 HA VAL 33 -12.275 1.465 10.614
250 HB VAL 33 HB VAL 33 -12.759 4.349 10.438
251 1HG1 VAL 33 1HG1 VAL 33 -12.816 2.275 12.644
252 2HG1 VAL 33 2HG1 VAL 33 -13.387 3.932 12.827
253 3HG1 VAL 33 3HG1 VAL 33 -14.189 2.843 11.695
254 1HG2 VAL 33 1HG2 VAL 33 -10.373 3.317 11.983
255 2HG2 VAL 33 2HG2 VAL 33 -10.466 4.750 10.949
256 3HG2 VAL 33 3HG2 VAL 33 -11.270 4.734 12.521
257 H GLY 34 H GLY 34 -12.073 4.306 8.393
258 1HA GLY 34 1HA GLY 34 -14.432 3.997 7.030
259 2HA GLY 34 2HA GLY 34 -13.377 2.805 6.271
260 H THR 35 H THR 35 -12.132 5.855 7.564
261 HA THR 35 HA THR 35 -11.821 6.834 4.776
262 HB THR 35 HB THR 35 -11.187 8.765 6.854
263 HG1 THR 35 HG1 THR 35 -12.711 7.962 8.125
264 1HG2 THR 35 1HG2 THR 35 -13.167 8.612 4.569
265 2HG2 THR 35 2HG2 THR 35 -12.949 10.046 5.572
266 3HG2 THR 35 3HG2 THR 35 -11.615 9.450 4.585
267 H THR 36 H THR 36 -10.098 5.235 7.079
268 HA THR 36 HA THR 36 -7.634 6.756 6.821
269 HB THR 36 HB THR 36 -6.722 4.621 7.995
270 HG1 THR 36 HG1 THR 36 -9.460 4.349 8.587
271 1HG2 THR 36 1HG2 THR 36 -8.827 6.454 9.127
272 2HG2 THR 36 2HG2 THR 36 -7.731 5.469 10.105
273 3HG2 THR 36 3HG2 THR 36 -7.084 6.754 9.068
274 H ARG 37 H ARG 37 -9.117 4.864 4.655
275 HA ARG 37 HA ARG 37 -6.873 3.255 3.776
276 1HB ARG 37 1HB ARG 37 -9.527 3.901 2.542
277 2HB ARG 37 2HB ARG 37 -8.233 3.426 1.452
278 1HG ARG 37 1HG ARG 37 -8.954 1.322 1.950
279 2HG ARG 37 2HG ARG 37 -7.949 1.536 3.396
280 1HD ARG 37 1HD ARG 37 -10.952 1.940 3.145
281 2HD ARG 37 2HD ARG 37 -10.091 0.926 4.289
282 HE ARG 37 HE ARG 37 -10.293 3.882 4.438
283 1HH1 ARG 37 1HH1 ARG 37 -11.380 2.666 6.684
284 2HH1 ARG 37 2HH1 ARG 37 -10.077 2.479 7.793
285 1HH2 ARG 37 1HH2 ARG 37 -7.639 2.759 5.368
286 2HH2 ARG 37 2HH2 ARG 37 -7.947 2.504 7.046
287 H LYS 38 H LYS 38 -8.286 6.080 1.997
288 HA LYS 38 HA LYS 38 -6.280 6.661 0.255
289 1HB LYS 38 1HB LYS 38 -8.312 8.088 0.710
290 2HB LYS 38 2HB LYS 38 -7.443 8.780 2.081
291 1HG LYS 38 1HG LYS 38 -5.567 9.312 0.410
292 2HG LYS 38 2HG LYS 38 -6.744 8.950 -0.853
293 1HD LYS 38 1HD LYS 38 -7.206 10.969 1.361
294 2HD LYS 38 2HD LYS 38 -6.627 11.392 -0.249
295 1HE LYS 38 1HE LYS 38 -8.760 9.943 -0.973
296 2HE LYS 38 2HE LYS 38 -9.329 10.461 0.615
297 1HZ LYS 38 1HZ LYS 38 -8.464 12.762 -0.220
298 2HZ LYS 38 2HZ LYS 38 -8.704 12.070 -1.754
299 3HZ LYS 38 3HZ LYS 38 -10.003 12.202 -0.673
300 H LEU 39 H LEU 39 -6.100 6.972 3.748
301 HA LEU 39 HA LEU 39 -3.585 8.410 3.822
302 1HB LEU 39 1HB LEU 39 -5.477 7.931 5.712
303 2HB LEU 39 2HB LEU 39 -4.401 6.583 6.048
304 HG LEU 39 HG LEU 39 -3.401 9.418 5.870
305 1HD1 LEU 39 1HD1 LEU 39 -4.225 7.822 8.317
306 2HD1 LEU 39 2HD1 LEU 39 -3.446 9.403 8.344
307 3HD1 LEU 39 3HD1 LEU 39 -5.074 9.233 7.686
308 1HD2 LEU 39 1HD2 LEU 39 -2.313 6.806 6.966
309 2HD2 LEU 39 2HD2 LEU 39 -1.684 7.710 5.588
310 3HD2 LEU 39 3HD2 LEU 39 -1.534 8.369 7.219
311 H TYR 40 H TYR 40 -4.384 5.027 4.587
312 HA TYR 40 HA TYR 40 -1.595 4.231 4.547
313 1HB TYR 40 1HB TYR 40 -4.189 2.651 4.584
314 2HB TYR 40 2HB TYR 40 -2.596 1.925 4.765
315 HD1 TYR 40 HD1 TYR 40 -1.046 3.414 6.484
316 HD2 TYR 40 HD2 TYR 40 -5.318 3.004 6.575
317 HE1 TYR 40 HE1 TYR 40 -1.048 3.991 8.893
318 HE2 TYR 40 HE2 TYR 40 -5.327 3.591 8.981
319 HH TYR 40 HH TYR 40 -3.069 5.105 10.513
320 H GLU 41 H GLU 41 -3.579 5.095 2.096
321 HA GLU 41 HA GLU 41 -3.073 3.013 0.171
322 1HB GLU 41 1HB GLU 41 -4.489 4.272 -1.129
323 2HB GLU 41 2HB GLU 41 -4.702 5.274 0.301
324 1HG GLU 41 1HG GLU 41 -2.900 6.741 -0.409
325 2HG GLU 41 2HG GLU 41 -2.548 5.668 -1.758
326 H LYS 42 H LYS 42 -1.350 5.702 1.492
327 HA LYS 42 HA LYS 42 0.777 5.372 -0.604
328 1HB LYS 42 1HB LYS 42 -0.274 7.653 0.910
329 2HB LYS 42 2HB LYS 42 1.485 7.535 0.990
330 1HG LYS 42 1HG LYS 42 0.739 8.857 -0.958
331 2HG LYS 42 2HG LYS 42 1.602 7.398 -1.443
332 1HD LYS 42 1HD LYS 42 -1.100 6.652 -1.162
333 2HD LYS 42 2HD LYS 42 -1.117 8.175 -2.047
334 1HE LYS 42 1HE LYS 42 0.156 7.301 -3.814
335 2HE LYS 42 2HE LYS 42 0.806 5.994 -2.825
336 1HZ LYS 42 1HZ LYS 42 -2.077 6.194 -3.475
337 2HZ LYS 42 2HZ LYS 42 -0.980 5.379 -4.484
338 3HZ LYS 42 3HZ LYS 42 -1.226 4.848 -2.889
339 H LYS 43 H LYS 43 0.345 5.900 2.874
340 HA LYS 43 HA LYS 43 2.817 5.529 3.944
341 1HB LYS 43 1HB LYS 43 0.142 4.859 4.836
342 2HB LYS 43 2HB LYS 43 1.353 3.751 5.499
343 1HG LYS 43 1HG LYS 43 1.766 6.743 5.515
344 2HG LYS 43 2HG LYS 43 0.889 5.934 6.804
345 1HD LYS 43 1HD LYS 43 2.854 4.424 7.138
346 2HD LYS 43 2HD LYS 43 3.734 5.367 5.936
347 1HE LYS 43 1HE LYS 43 4.403 6.360 7.957
348 2HE LYS 43 2HE LYS 43 3.092 7.413 7.424
349 1HZ LYS 43 1HZ LYS 43 1.744 5.564 8.790
350 2HZ LYS 43 2HZ LYS 43 3.200 5.579 9.665
351 3HZ LYS 43 3HZ LYS 43 2.312 7.011 9.474
352 H LEU 44 H LEU 44 0.789 2.875 2.725
353 HA LEU 44 HA LEU 44 2.919 0.957 3.277
354 1HB LEU 44 1HB LEU 44 1.166 -0.400 3.458
355 2HB LEU 44 2HB LEU 44 0.099 0.914 2.972
356 HG LEU 44 HG LEU 44 0.853 0.294 0.573
357 1HD1 LEU 44 1HD1 LEU 44 -1.386 0.026 1.748
358 2HD1 LEU 44 2HD1 LEU 44 -1.083 -1.076 0.403
359 3HD1 LEU 44 3HD1 LEU 44 -0.906 -1.642 2.065
360 1HD2 LEU 44 1HD2 LEU 44 2.469 -1.447 1.902
361 2HD2 LEU 44 2HD2 LEU 44 1.052 -2.472 1.672
362 3HD2 LEU 44 3HD2 LEU 44 1.866 -1.770 0.272
363 H LEU 45 H LEU 45 1.562 2.739 0.592
364 HA LEU 45 HA LEU 45 2.614 1.312 -1.593
365 1HB LEU 45 1HB LEU 45 1.214 3.601 -1.342
366 2HB LEU 45 2HB LEU 45 2.798 4.271 -1.718
367 HG LEU 45 HG LEU 45 2.048 1.988 -3.408
368 1HD1 LEU 45 1HD1 LEU 45 3.810 4.085 -3.485
369 2HD1 LEU 45 2HD1 LEU 45 3.345 3.127 -4.888
370 3HD1 LEU 45 3HD1 LEU 45 2.534 4.656 -4.559
371 1HD2 LEU 45 1HD2 LEU 45 -0.124 3.376 -2.850
372 2HD2 LEU 45 2HD2 LEU 45 0.589 4.535 -3.971
373 3HD2 LEU 45 3HD2 LEU 45 0.216 2.901 -4.516
374 H LYS 46 H LYS 46 4.237 3.599 0.601
375 HA LYS 46 HA LYS 46 6.639 3.983 -0.834
376 1HB LYS 46 1HB LYS 46 6.224 3.633 2.152
377 2HB LYS 46 2HB LYS 46 7.719 4.217 1.422
378 1HG LYS 46 1HG LYS 46 5.463 5.671 0.349
379 2HG LYS 46 2HG LYS 46 5.445 5.746 2.112
380 1HD LYS 46 1HD LYS 46 7.995 6.227 0.576
381 2HD LYS 46 2HD LYS 46 6.833 7.530 0.821
382 1HE LYS 46 1HE LYS 46 6.925 7.097 3.279
383 2HE LYS 46 2HE LYS 46 8.175 5.886 2.989
384 1HZ LYS 46 1HZ LYS 46 8.359 8.752 2.231
385 2HZ LYS 46 2HZ LYS 46 9.110 8.045 3.582
386 3HZ LYS 46 3HZ LYS 46 9.568 7.583 2.013
387 H LEU 47 H LEU 47 6.127 1.524 1.706
388 HA LEU 47 HA LEU 47 8.444 -0.018 1.079
389 1HB LEU 47 1HB LEU 47 5.875 -1.101 2.265
390 2HB LEU 47 2HB LEU 47 7.504 -1.638 2.519
391 HG LEU 47 HG LEU 47 7.067 1.171 3.242
392 1HD1 LEU 47 1HD1 LEU 47 8.627 -1.200 4.063
393 2HD1 LEU 47 2HD1 LEU 47 9.091 0.503 4.060
394 3HD1 LEU 47 3HD1 LEU 47 8.132 -0.148 5.390
395 1HD2 LEU 47 1HD2 LEU 47 5.197 -0.848 4.094
396 2HD2 LEU 47 2HD2 LEU 47 6.173 -0.354 5.478
397 3HD2 LEU 47 3HD2 LEU 47 5.258 0.853 4.571
398 H ARG 48 H ARG 48 5.314 0.205 -0.265
399 HA ARG 48 HA ARG 48 5.560 -2.318 -1.795
400 1HB ARG 48 1HB ARG 48 3.451 -2.007 -0.681
401 2HB ARG 48 2HB ARG 48 3.306 -0.362 -1.283
402 1HG ARG 48 1HG ARG 48 3.586 -2.464 -3.348
403 2HG ARG 48 2HG ARG 48 2.076 -2.475 -2.433
404 1HD ARG 48 1HD ARG 48 2.776 0.240 -3.114
405 2HD ARG 48 2HD ARG 48 2.776 -0.747 -4.566
406 HE ARG 48 HE ARG 48 0.440 0.157 -3.244
407 1HH1 ARG 48 1HH1 ARG 48 1.837 -2.735 -4.555
408 2HH1 ARG 48 2HH1 ARG 48 0.307 -3.481 -4.858
409 1HH2 ARG 48 1HH2 ARG 48 -1.551 -0.828 -3.655
410 2HH2 ARG 48 2HH2 ARG 48 -1.594 -2.415 -4.348
411 H GLU 49 H GLU 49 7.024 0.355 -2.280
412 HA GLU 49 HA GLU 49 6.064 0.893 -5.042
413 1HB GLU 49 1HB GLU 49 7.558 2.491 -2.995
414 2HB GLU 49 2HB GLU 49 7.902 2.801 -4.697
415 1HG GLU 49 1HG GLU 49 5.117 2.631 -4.574
416 2HG GLU 49 2HG GLU 49 5.561 3.533 -3.128
417 H GLN 50 H GLN 50 6.987 -1.099 -5.707
418 HA GLN 50 HA GLN 50 9.204 -2.444 -5.704
419 1HB GLN 50 1HB GLN 50 8.458 -3.032 -7.741
420 2HB GLN 50 2HB GLN 50 7.581 -1.516 -7.890
421 1HG GLN 50 1HG GLN 50 10.548 -1.657 -8.445
422 2HG GLN 50 2HG GLN 50 9.365 -2.063 -9.686
423 2HE2 GLN 50 2HE2 GLN 50 7.345 -0.163 -9.161
424 1HE2 GLN 50 1HE2 GLN 50 7.962 1.397 -9.415
425 H GLY 51 H GLY 51 11.374 -2.198 -5.541
426 1HA GLY 51 1HA GLY 51 13.465 -1.138 -5.459
427 2HA GLY 51 2HA GLY 51 12.580 0.383 -5.339
428 H THR 52 H THR 52 14.634 0.880 -6.755
429 HA THR 52 HA THR 52 13.855 0.507 -9.621
430 HB THR 52 HB THR 52 15.211 2.707 -9.894
431 HG1 THR 52 HG1 THR 52 15.138 3.959 -7.956
432 1HG2 THR 52 1HG2 THR 52 12.501 2.466 -8.592
433 2HG2 THR 52 2HG2 THR 52 13.169 4.039 -9.029
434 3HG2 THR 52 3HG2 THR 52 12.884 2.826 -10.276
435 H GLU 53 H GLU 53 16.836 1.787 -8.156
436 HA GLU 53 HA GLU 53 18.346 -0.213 -9.759
437 1HB GLU 53 1HB GLU 53 20.294 1.237 -9.381
438 2HB GLU 53 2HB GLU 53 18.956 2.175 -10.031
439 1HG GLU 53 1HG GLU 53 18.366 2.640 -7.544
440 2HG GLU 53 2HG GLU 53 20.020 2.130 -7.235
441 H SER 54 H SER 54 18.249 1.141 -6.449
442 HA SER 54 HA SER 54 18.542 -0.028 -4.413
443 1HB SER 54 1HB SER 54 19.606 -2.405 -5.927
444 2HB SER 54 2HB SER 54 18.797 -2.365 -4.360
445 HG SER 54 HG SER 54 16.885 -1.795 -5.420
446 H ARG 55 H ARG 55 21.018 -0.515 -6.928
447 HA ARG 55 HA ARG 55 23.376 -0.649 -6.684
448 1HB ARG 55 1HB ARG 55 24.263 1.518 -6.208
449 2HB ARG 55 2HB ARG 55 22.695 1.781 -6.968
450 1HG ARG 55 1HG ARG 55 21.728 1.879 -4.595
451 2HG ARG 55 2HG ARG 55 23.394 1.986 -4.029
452 1HD ARG 55 1HD ARG 55 22.238 4.218 -4.348
453 2HD ARG 55 2HD ARG 55 23.752 4.044 -5.241
454 HE ARG 55 HE ARG 55 21.517 3.210 -6.903
455 1HH1 ARG 55 1HH1 ARG 55 22.786 4.558 -8.705
456 2HH1 ARG 55 2HH1 ARG 55 22.439 6.249 -8.570
457 1HH2 ARG 55 1HH2 ARG 55 21.204 6.007 -5.338
458 2HH2 ARG 55 2HH2 ARG 55 21.544 7.071 -6.663
459 H SER 56 H SER 56 24.853 0.738 -4.538
460 HA SER 56 HA SER 56 25.936 -0.030 -2.586
461 1HB SER 56 1HB SER 56 23.001 0.110 -1.915
462 2HB SER 56 2HB SER 56 24.176 -0.396 -0.699
463 HG SER 56 HG SER 56 25.301 1.646 -1.613
464 H SER 57 H SER 57 25.127 -2.115 -4.591
465 HA SER 57 HA SER 57 25.171 -4.456 -4.727
466 1HB SER 57 1HB SER 57 26.772 -3.726 -2.478
467 2HB SER 57 2HB SER 57 25.844 -5.158 -2.035
468 HG SER 57 HG SER 57 27.703 -5.821 -3.061
No H/Q in entry = 468
Start of MODEL 4
1 H1 ARG 1 H1 ARG 1 0.812 -1.935 -20.214
2 H2 ARG 1 H2 ARG 1 1.254 -0.323 -20.513
3 H3 ARG 1 H3 ARG 1 2.170 -1.593 -21.171
4 HA ARG 1 HA ARG 1 3.432 -1.729 -19.374
5 1HB ARG 1 1HB ARG 1 3.255 0.691 -19.355
6 2HB ARG 1 2HB ARG 1 1.706 0.612 -18.514
7 1HG ARG 1 1HG ARG 1 3.429 1.115 -16.883
8 2HG ARG 1 2HG ARG 1 2.874 -0.537 -16.608
9 1HD ARG 1 1HD ARG 1 5.168 -0.902 -16.598
10 2HD ARG 1 2HD ARG 1 4.849 -1.093 -18.327
11 HE ARG 1 HE ARG 1 5.370 1.680 -17.835
12 1HH1 ARG 1 1HH1 ARG 1 6.717 -0.891 -19.344
13 2HH1 ARG 1 2HH1 ARG 1 8.371 -0.508 -18.998
14 1HH2 ARG 1 1HH2 ARG 1 7.593 1.957 -16.686
15 2HH2 ARG 1 2HH2 ARG 1 8.867 1.104 -17.493
16 H GLN 2 H GLN 2 2.564 -3.817 -18.748
17 HA GLN 2 HA GLN 2 0.619 -3.717 -16.484
18 1HB GLN 2 1HB GLN 2 1.466 -6.257 -17.850
19 2HB GLN 2 2HB GLN 2 -0.060 -5.882 -17.049
20 1HG GLN 2 1HG GLN 2 -0.762 -5.665 -19.230
21 2HG GLN 2 2HG GLN 2 -0.154 -4.027 -18.989
22 2HE2 GLN 2 2HE2 GLN 2 0.879 -7.257 -20.197
23 1HE2 GLN 2 1HE2 GLN 2 2.026 -6.649 -21.291
24 H GLU 3 H GLU 3 1.138 -5.860 -15.020
25 HA GLU 3 HA GLU 3 2.583 -6.710 -13.379
26 1HB GLU 3 1HB GLU 3 3.713 -7.513 -15.544
27 2HB GLU 3 2HB GLU 3 4.826 -6.162 -15.329
28 1HG GLU 3 1HG GLU 3 5.850 -8.067 -14.283
29 2HG GLU 3 2HG GLU 3 5.255 -7.038 -12.981
30 H ASP 4 H ASP 4 2.852 -5.385 -11.643
31 HA ASP 4 HA ASP 4 5.053 -3.483 -11.588
32 1HB ASP 4 1HB ASP 4 2.369 -2.562 -12.254
33 2HB ASP 4 2HB ASP 4 2.971 -1.796 -10.784
34 H LYS 5 H LYS 5 4.635 -2.085 -9.381
35 HA LYS 5 HA LYS 5 3.873 -4.130 -7.340
36 1HB LYS 5 1HB LYS 5 6.295 -3.282 -7.442
37 2HB LYS 5 2HB LYS 5 5.665 -1.742 -6.875
38 1HG LYS 5 1HG LYS 5 6.313 -2.887 -4.895
39 2HG LYS 5 2HG LYS 5 4.563 -3.074 -4.971
40 1HD LYS 5 1HD LYS 5 5.897 -5.190 -4.435
41 2HD LYS 5 2HD LYS 5 4.732 -5.321 -5.750
42 1HE LYS 5 1HE LYS 5 7.027 -6.316 -6.221
43 2HE LYS 5 2HE LYS 5 6.456 -5.145 -7.409
44 1HZ LYS 5 1HZ LYS 5 7.848 -3.880 -5.272
45 2HZ LYS 5 2HZ LYS 5 8.820 -5.050 -6.031
46 3HZ LYS 5 3HZ LYS 5 8.130 -3.792 -6.943
47 H ASP 6 H ASP 6 4.022 -0.551 -7.702
48 HA ASP 6 HA ASP 6 1.745 -0.295 -5.842
49 1HB ASP 6 1HB ASP 6 1.990 2.207 -6.655
50 2HB ASP 6 2HB ASP 6 3.165 1.551 -5.513
51 H ASP 7 H ASP 7 1.100 -1.799 -8.118
52 HA ASP 7 HA ASP 7 -0.271 -0.029 -10.014
53 1HB ASP 7 1HB ASP 7 0.850 -2.467 -10.322
54 2HB ASP 7 2HB ASP 7 -0.815 -2.952 -9.995
55 H LEU 8 H LEU 8 -1.024 -1.970 -7.188
56 HA LEU 8 HA LEU 8 -3.863 -2.106 -7.553
57 1HB LEU 8 1HB LEU 8 -2.402 -3.354 -5.822
58 2HB LEU 8 2HB LEU 8 -2.504 -1.883 -4.859
59 HG LEU 8 HG LEU 8 -5.146 -2.488 -5.744
60 1HD1 LEU 8 1HD1 LEU 8 -3.484 -4.853 -5.046
61 2HD1 LEU 8 2HD1 LEU 8 -5.070 -4.759 -4.279
62 3HD1 LEU 8 3HD1 LEU 8 -4.938 -4.755 -6.038
63 1HD2 LEU 8 1HD2 LEU 8 -3.923 -1.555 -3.497
64 2HD2 LEU 8 2HD2 LEU 8 -5.607 -2.077 -3.550
65 3HD2 LEU 8 3HD2 LEU 8 -4.358 -3.183 -2.979
66 H ASP 9 H ASP 9 -5.488 -0.778 -6.418
67 HA ASP 9 HA ASP 9 -5.067 2.021 -6.787
68 1HB ASP 9 1HB ASP 9 -7.227 0.277 -5.945
69 2HB ASP 9 2HB ASP 9 -7.189 1.743 -4.967
70 H VAL 10 H VAL 10 -4.918 -0.018 -3.876
71 HA VAL 10 HA VAL 10 -3.980 0.383 -1.781
72 HB VAL 10 HB VAL 10 -2.808 3.001 -2.251
73 1HG1 VAL 10 1HG1 VAL 10 -2.604 0.969 -4.396
74 2HG1 VAL 10 2HG1 VAL 10 -2.379 2.717 -4.464
75 3HG1 VAL 10 3HG1 VAL 10 -1.088 1.679 -3.859
76 1HG2 VAL 10 1HG2 VAL 10 -1.715 0.229 -1.695
77 2HG2 VAL 10 2HG2 VAL 10 -0.742 1.702 -1.652
78 3HG2 VAL 10 3HG2 VAL 10 -2.057 1.472 -0.497
79 H THR 11 H THR 11 -6.159 2.579 -3.255
80 HA THR 11 HA THR 11 -6.658 3.843 -0.604
81 HB THR 11 HB THR 11 -6.453 5.791 -1.730
82 HG1 THR 11 HG1 THR 11 -8.653 5.151 -3.337
83 1HG2 THR 11 1HG2 THR 11 -5.294 4.616 -3.585
84 2HG2 THR 11 2HG2 THR 11 -6.858 4.303 -4.340
85 3HG2 THR 11 3HG2 THR 11 -6.280 5.958 -4.165
86 H GLU 12 H GLU 12 -8.348 2.839 -3.619
87 HA GLU 12 HA GLU 12 -10.925 2.702 -2.319
88 1HB GLU 12 1HB GLU 12 -11.720 1.723 -4.333
89 2HB GLU 12 2HB GLU 12 -10.423 2.792 -4.861
90 1HG GLU 12 1HG GLU 12 -9.606 0.965 -5.929
91 2HG GLU 12 2HG GLU 12 -9.065 0.453 -4.332
92 H LEU 13 H LEU 13 -8.196 0.603 -2.676
93 HA LEU 13 HA LEU 13 -8.834 -1.953 -2.250
94 1HB LEU 13 1HB LEU 13 -6.823 -2.216 -1.067
95 2HB LEU 13 2HB LEU 13 -6.586 -0.671 -1.881
96 HG LEU 13 HG LEU 13 -7.501 -1.089 0.957
97 1HD1 LEU 13 1HD1 LEU 13 -4.976 -1.250 0.005
98 2HD1 LEU 13 2HD1 LEU 13 -5.087 0.497 0.213
99 3HD1 LEU 13 3HD1 LEU 13 -5.330 -0.572 1.591
100 1HD2 LEU 13 1HD2 LEU 13 -8.524 0.925 -0.215
101 2HD2 LEU 13 2HD2 LEU 13 -7.579 1.281 1.223
102 3HD2 LEU 13 3HD2 LEU 13 -6.887 1.550 -0.370
103 H THR 14 H THR 14 -10.210 -3.119 -1.061
104 HA THR 14 HA THR 14 -12.007 -1.998 0.798
105 HB THR 14 HB THR 14 -12.615 -4.295 1.375
106 HG1 THR 14 HG1 THR 14 -10.292 -4.918 1.403
107 1HG2 THR 14 1HG2 THR 14 -12.913 -3.196 -1.031
108 2HG2 THR 14 2HG2 THR 14 -11.857 -4.526 -1.506
109 3HG2 THR 14 3HG2 THR 14 -13.400 -4.862 -0.721
110 H ASN 15 H ASN 15 -12.222 -2.659 3.144
111 HA ASN 15 HA ASN 15 -9.832 -1.889 4.576
112 1HB ASN 15 1HB ASN 15 -11.168 -2.000 6.548
113 2HB ASN 15 2HB ASN 15 -12.220 -1.390 5.270
114 2HD2 ASN 15 2HD2 ASN 15 -13.837 -2.894 4.367
115 1HD2 ASN 15 1HD2 ASN 15 -14.282 -4.298 5.211
116 H GLU 16 H GLU 16 -11.488 -4.973 4.013
117 HA GLU 16 HA GLU 16 -9.667 -6.381 5.841
118 1HB GLU 16 1HB GLU 16 -11.839 -7.310 5.802
119 2HB GLU 16 2HB GLU 16 -11.940 -7.232 4.046
120 1HG GLU 16 1HG GLU 16 -9.809 -8.915 5.334
121 2HG GLU 16 2HG GLU 16 -11.455 -9.533 5.209
122 H ASP 17 H ASP 17 -10.332 -6.545 2.322
123 HA ASP 17 HA ASP 17 -8.148 -8.272 1.732
124 1HB ASP 17 1HB ASP 17 -10.055 -7.734 0.163
125 2HB ASP 17 2HB ASP 17 -9.279 -6.181 -0.144
126 H LEU 18 H LEU 18 -8.022 -5.019 2.767
127 HA LEU 18 HA LEU 18 -5.414 -4.662 1.385
128 1HB LEU 18 1HB LEU 18 -5.599 -2.412 1.620
129 2HB LEU 18 2HB LEU 18 -7.299 -2.836 1.544
130 HG LEU 18 HG LEU 18 -7.249 -2.877 4.101
131 1HD1 LEU 18 1HD1 LEU 18 -4.487 -2.321 3.538
132 2HD1 LEU 18 2HD1 LEU 18 -5.186 -0.955 4.407
133 3HD1 LEU 18 3HD1 LEU 18 -5.254 -2.574 5.106
134 1HD2 LEU 18 1HD2 LEU 18 -8.186 -1.031 2.648
135 2HD2 LEU 18 2HD2 LEU 18 -7.624 -0.501 4.227
136 3HD2 LEU 18 3HD2 LEU 18 -6.635 -0.215 2.806
137 H LEU 19 H LEU 19 -6.757 -5.430 4.465
138 HA LEU 19 HA LEU 19 -4.612 -4.560 6.127
139 1HB LEU 19 1HB LEU 19 -6.628 -6.793 6.349
140 2HB LEU 19 2HB LEU 19 -5.332 -6.654 7.530
141 HG LEU 19 HG LEU 19 -7.627 -4.782 7.013
142 1HD1 LEU 19 1HD1 LEU 19 -6.311 -6.100 9.399
143 2HD1 LEU 19 2HD1 LEU 19 -7.539 -4.842 9.570
144 3HD1 LEU 19 3HD1 LEU 19 -7.943 -6.367 8.780
145 1HD2 LEU 19 1HD2 LEU 19 -4.886 -4.073 8.043
146 2HD2 LEU 19 2HD2 LEU 19 -5.941 -3.150 6.969
147 3HD2 LEU 19 3HD2 LEU 19 -6.307 -3.259 8.690
148 H ASP 20 H ASP 20 -4.859 -7.122 3.808
149 HA ASP 20 HA ASP 20 -2.549 -8.591 4.896
150 1HB ASP 20 1HB ASP 20 -4.622 -9.405 3.362
151 2HB ASP 20 2HB ASP 20 -3.454 -9.038 2.093
152 H GLN 21 H GLN 21 -3.221 -6.042 2.669
153 HA GLN 21 HA GLN 21 -0.720 -6.152 1.249
154 1HB GLN 21 1HB GLN 21 -2.822 -5.310 0.239
155 2HB GLN 21 2HB GLN 21 -2.910 -4.043 1.464
156 1HG GLN 21 1HG GLN 21 -1.965 -2.847 -0.099
157 2HG GLN 21 2HG GLN 21 -0.489 -3.539 0.559
158 2HE2 GLN 21 2HE2 GLN 21 -1.055 -2.622 -2.278
159 1HE2 GLN 21 1HE2 GLN 21 -0.763 -3.994 -3.237
160 H LEU 22 H LEU 22 -1.968 -4.652 4.159
161 HA LEU 22 HA LEU 22 0.432 -2.926 4.387
162 1HB LEU 22 1HB LEU 22 -2.259 -3.015 5.645
163 2HB LEU 22 2HB LEU 22 -0.936 -2.550 6.708
164 HG LEU 22 HG LEU 22 -0.423 -1.123 4.411
165 1HD1 LEU 22 1HD1 LEU 22 -2.708 -1.821 3.612
166 2HD1 LEU 22 2HD1 LEU 22 -3.388 -0.987 5.015
167 3HD1 LEU 22 3HD1 LEU 22 -2.528 -0.072 3.773
168 1HD2 LEU 22 1HD2 LEU 22 -0.787 -0.595 7.074
169 2HD2 LEU 22 2HD2 LEU 22 -0.525 0.644 5.862
170 3HD2 LEU 22 3HD2 LEU 22 -2.159 0.244 6.369
171 H VAL 23 H VAL 23 -1.344 -5.319 6.328
172 HA VAL 23 HA VAL 23 0.552 -5.651 8.365
173 HB VAL 23 HB VAL 23 -1.384 -7.688 7.235
174 1HG1 VAL 23 1HG1 VAL 23 0.238 -7.603 9.788
175 2HG1 VAL 23 2HG1 VAL 23 -1.178 -8.635 9.590
176 3HG1 VAL 23 3HG1 VAL 23 0.231 -8.864 8.556
177 1HG2 VAL 23 1HG2 VAL 23 -2.130 -5.359 8.236
178 2HG2 VAL 23 2HG2 VAL 23 -2.989 -6.831 8.688
179 3HG2 VAL 23 3HG2 VAL 23 -1.779 -6.145 9.774
180 H LYS 24 H LYS 24 0.986 -6.682 5.058
181 HA LYS 24 HA LYS 24 2.908 -8.660 6.163
182 1HB LYS 24 1HB LYS 24 2.865 -9.837 4.076
183 2HB LYS 24 2HB LYS 24 1.192 -9.430 4.442
184 1HG LYS 24 1HG LYS 24 1.088 -8.424 2.442
185 2HG LYS 24 2HG LYS 24 2.163 -7.189 3.081
186 1HD LYS 24 1HD LYS 24 2.866 -9.680 1.486
187 2HD LYS 24 2HD LYS 24 3.186 -8.006 1.057
188 1HE LYS 24 1HE LYS 24 4.882 -7.827 2.817
189 2HE LYS 24 2HE LYS 24 4.495 -9.452 3.389
190 1HZ LYS 24 1HZ LYS 24 5.231 -9.073 0.580
191 2HZ LYS 24 2HZ LYS 24 6.454 -9.062 1.755
192 3HZ LYS 24 3HZ LYS 24 5.454 -10.424 1.586
193 H TYR 25 H TYR 25 2.807 -5.823 4.088
194 HA TYR 25 HA TYR 25 5.555 -6.071 3.258
195 1HB TYR 25 1HB TYR 25 3.556 -3.837 3.376
196 2HB TYR 25 2HB TYR 25 5.260 -3.450 3.143
197 HD1 TYR 25 HD1 TYR 25 6.462 -4.171 1.147
198 HD2 TYR 25 HD2 TYR 25 2.315 -5.100 1.709
199 HE1 TYR 25 HE1 TYR 25 6.291 -4.828 -1.242
200 HE2 TYR 25 HE2 TYR 25 2.127 -5.751 -0.678
201 HH TYR 25 HH TYR 25 3.865 -4.910 -2.949
202 H GLY 26 H GLY 26 4.157 -5.661 6.285
203 1HA GLY 26 1HA GLY 26 6.692 -4.517 7.337
204 2HA GLY 26 2HA GLY 26 5.600 -5.574 8.249
205 H VAL 27 H VAL 27 3.205 -4.281 7.171
206 HA VAL 27 HA VAL 27 3.454 -1.607 8.543
207 HB VAL 27 HB VAL 27 1.446 -2.303 6.376
208 1HG1 VAL 27 1HG1 VAL 27 2.317 0.319 7.632
209 2HG1 VAL 27 2HG1 VAL 27 1.141 0.153 6.326
210 3HG1 VAL 27 3HG1 VAL 27 0.785 -0.507 7.932
211 1HG2 VAL 27 1HG2 VAL 27 4.160 -2.016 5.979
212 2HG2 VAL 27 2HG2 VAL 27 2.921 -1.658 4.768
213 3HG2 VAL 27 3HG2 VAL 27 3.578 -0.364 5.774
214 H ASN 28 H ASN 28 2.151 -1.243 10.253
215 HA ASN 28 HA ASN 28 -0.202 -3.045 10.621
216 1HB ASN 28 1HB ASN 28 1.376 -3.857 12.199
217 2HB ASN 28 2HB ASN 28 1.903 -2.230 12.629
218 2HD2 ASN 28 2HD2 ASN 28 -1.515 -3.152 12.234
219 1HD2 ASN 28 1HD2 ASN 28 -1.933 -2.956 13.868
220 HA PRO 29 HA PRO 29 -1.653 1.250 10.753
221 1HB PRO 29 1HB PRO 29 -4.045 0.616 9.496
222 2HB PRO 29 2HB PRO 29 -2.569 1.088 8.658
223 1HG PRO 29 1HG PRO 29 -3.856 -1.561 8.862
224 2HG PRO 29 2HG PRO 29 -2.683 -0.948 7.677
225 1HD PRO 29 1HD PRO 29 -2.110 -2.666 9.881
226 2HD PRO 29 2HD PRO 29 -0.940 -1.926 8.796
227 H GLY 30 H GLY 30 -3.828 -1.584 11.348
228 1HA GLY 30 1HA GLY 30 -4.512 -0.340 13.951
229 2HA GLY 30 2HA GLY 30 -4.831 -2.012 13.503
230 HA PRO 31 HA PRO 31 -8.748 0.339 12.882
231 1HB PRO 31 1HB PRO 31 -8.700 3.051 13.273
232 2HB PRO 31 2HB PRO 31 -8.821 1.875 14.584
233 1HG PRO 31 1HG PRO 31 -6.541 3.581 13.752
234 2HG PRO 31 2HG PRO 31 -6.850 2.816 15.319
235 1HD PRO 31 1HD PRO 31 -5.066 1.932 13.265
236 2HD PRO 31 2HD PRO 31 -5.465 1.057 14.752
237 H ILE 32 H ILE 32 -8.607 -0.134 10.593
238 HA ILE 32 HA ILE 32 -7.743 2.043 8.781
239 HB ILE 32 HB ILE 32 -9.017 -0.635 8.143
240 1HG1 ILE 32 1HG1 ILE 32 -6.502 -0.296 9.206
241 2HG1 ILE 32 2HG1 ILE 32 -6.964 -1.613 8.138
242 1HG2 ILE 32 1HG2 ILE 32 -8.085 1.697 6.562
243 2HG2 ILE 32 2HG2 ILE 32 -7.758 0.097 5.902
244 3HG2 ILE 32 3HG2 ILE 32 -9.414 0.584 6.253
245 1HD1 ILE 32 1HD1 ILE 32 -6.095 0.939 6.856
246 2HD1 ILE 32 2HD1 ILE 32 -4.854 -0.074 7.601
247 3HD1 ILE 32 3HD1 ILE 32 -5.879 -0.729 6.319
248 H VAL 33 H VAL 33 -9.738 2.980 10.308
249 HA VAL 33 HA VAL 33 -12.408 2.563 9.673
250 HB VAL 33 HB VAL 33 -12.527 5.206 9.915
251 1HG1 VAL 33 1HG1 VAL 33 -12.544 3.004 11.670
252 2HG1 VAL 33 2HG1 VAL 33 -11.507 4.206 12.437
253 3HG1 VAL 33 3HG1 VAL 33 -13.163 4.623 12.000
254 1HG2 VAL 33 1HG2 VAL 33 -9.827 5.000 9.640
255 2HG2 VAL 33 2HG2 VAL 33 -10.613 6.293 10.546
256 3HG2 VAL 33 3HG2 VAL 33 -9.975 4.888 11.395
257 H GLY 34 H GLY 34 -13.762 4.265 8.292
258 1HA GLY 34 1HA GLY 34 -14.380 4.794 6.085
259 2HA GLY 34 2HA GLY 34 -12.989 3.862 5.534
260 H THR 35 H THR 35 -11.756 5.977 7.719
261 HA THR 35 HA THR 35 -11.353 8.113 5.688
262 HB THR 35 HB THR 35 -10.481 8.967 8.258
263 HG1 THR 35 HG1 THR 35 -11.779 7.449 9.204
264 1HG2 THR 35 1HG2 THR 35 -11.449 10.291 6.331
265 2HG2 THR 35 2HG2 THR 35 -13.036 9.686 6.804
266 3HG2 THR 35 3HG2 THR 35 -12.113 10.699 7.913
267 H THR 36 H THR 36 -9.830 5.445 6.879
268 HA THR 36 HA THR 36 -7.187 6.788 6.970
269 HB THR 36 HB THR 36 -6.424 4.460 7.755
270 HG1 THR 36 HG1 THR 36 -8.645 3.674 7.057
271 1HG2 THR 36 1HG2 THR 36 -8.320 6.212 9.328
272 2HG2 THR 36 2HG2 THR 36 -7.288 4.974 10.058
273 3HG2 THR 36 3HG2 THR 36 -6.562 6.363 9.227
274 H ARG 37 H ARG 37 -8.843 4.146 5.198
275 HA ARG 37 HA ARG 37 -6.835 3.047 3.739
276 1HB ARG 37 1HB ARG 37 -9.300 4.166 2.397
277 2HB ARG 37 2HB ARG 37 -8.247 2.923 1.747
278 1HG ARG 37 1HG ARG 37 -9.702 1.473 2.705
279 2HG ARG 37 2HG ARG 37 -8.798 1.830 4.184
280 1HD ARG 37 1HD ARG 37 -11.613 2.468 3.584
281 2HD ARG 37 2HD ARG 37 -10.758 2.678 5.113
282 HE ARG 37 HE ARG 37 -10.031 4.934 4.245
283 1HH1 ARG 37 1HH1 ARG 37 -13.086 3.621 3.679
284 2HH1 ARG 37 2HH1 ARG 37 -13.589 4.838 2.556
285 1HH2 ARG 37 1HH2 ARG 37 -10.469 6.340 2.377
286 2HH2 ARG 37 2HH2 ARG 37 -12.108 6.377 1.818
287 H LYS 38 H LYS 38 -8.155 6.296 2.875
288 HA LYS 38 HA LYS 38 -6.395 6.902 0.774
289 1HB LYS 38 1HB LYS 38 -8.024 8.404 2.659
290 2HB LYS 38 2HB LYS 38 -6.513 9.247 2.321
291 1HG LYS 38 1HG LYS 38 -7.016 8.739 -0.166
292 2HG LYS 38 2HG LYS 38 -8.656 8.385 0.379
293 1HD LYS 38 1HD LYS 38 -8.848 10.624 1.350
294 2HD LYS 38 2HD LYS 38 -7.179 10.983 0.904
295 1HE LYS 38 1HE LYS 38 -7.843 11.618 -1.150
296 2HE LYS 38 2HE LYS 38 -8.571 10.034 -1.421
297 1HZ LYS 38 1HZ LYS 38 -10.348 11.170 0.225
298 2HZ LYS 38 2HZ LYS 38 -9.810 12.528 -0.637
299 3HZ LYS 38 3HZ LYS 38 -10.466 11.200 -1.469
300 H LEU 39 H LEU 39 -5.922 7.415 4.257
301 HA LEU 39 HA LEU 39 -3.284 8.370 4.292
302 1HB LEU 39 1HB LEU 39 -4.661 8.167 6.361
303 2HB LEU 39 2HB LEU 39 -4.622 6.413 6.200
304 HG LEU 39 HG LEU 39 -2.161 6.439 6.445
305 1HD1 LEU 39 1HD1 LEU 39 -3.728 7.841 8.639
306 2HD1 LEU 39 2HD1 LEU 39 -3.551 6.097 8.433
307 3HD1 LEU 39 3HD1 LEU 39 -2.151 7.081 8.866
308 1HD2 LEU 39 1HD2 LEU 39 -2.672 9.381 6.445
309 2HD2 LEU 39 2HD2 LEU 39 -1.439 8.787 7.555
310 3HD2 LEU 39 3HD2 LEU 39 -1.279 8.487 5.823
311 H TYR 40 H TYR 40 -4.257 4.992 4.765
312 HA TYR 40 HA TYR 40 -1.590 3.997 4.475
313 1HB TYR 40 1HB TYR 40 -4.317 2.685 4.514
314 2HB TYR 40 2HB TYR 40 -2.808 1.777 4.494
315 HD1 TYR 40 HD1 TYR 40 -5.221 3.167 6.612
316 HD2 TYR 40 HD2 TYR 40 -0.972 2.735 6.195
317 HE1 TYR 40 HE1 TYR 40 -4.943 3.592 9.041
318 HE2 TYR 40 HE2 TYR 40 -0.685 3.134 8.623
319 HH TYR 40 HH TYR 40 -1.760 3.324 10.596
320 H GLU 41 H GLU 41 -3.597 5.243 2.184
321 HA GLU 41 HA GLU 41 -3.107 3.333 0.051
322 1HB GLU 41 1HB GLU 41 -4.595 4.606 -1.126
323 2HB GLU 41 2HB GLU 41 -4.862 5.462 0.393
324 1HG GLU 41 1HG GLU 41 -3.138 7.092 -0.190
325 2HG GLU 41 2HG GLU 41 -2.767 6.180 -1.649
326 H LYS 42 H LYS 42 -1.360 5.828 1.624
327 HA LYS 42 HA LYS 42 0.658 5.688 -0.535
328 1HB LYS 42 1HB LYS 42 -0.200 7.954 -0.392
329 2HB LYS 42 2HB LYS 42 0.000 7.965 1.358
330 1HG LYS 42 1HG LYS 42 1.815 9.145 -0.055
331 2HG LYS 42 2HG LYS 42 2.360 8.036 1.204
332 1HD LYS 42 1HD LYS 42 3.623 7.524 -0.774
333 2HD LYS 42 2HD LYS 42 2.448 6.232 -0.564
334 1HE LYS 42 1HE LYS 42 1.085 8.140 -2.081
335 2HE LYS 42 2HE LYS 42 2.716 8.156 -2.749
336 1HZ LYS 42 1HZ LYS 42 1.113 5.700 -2.316
337 2HZ LYS 42 2HZ LYS 42 1.236 6.502 -3.802
338 3HZ LYS 42 3HZ LYS 42 2.611 5.800 -3.096
339 H LYS 43 H LYS 43 0.063 5.816 2.954
340 HA LYS 43 HA LYS 43 2.653 5.681 3.978
341 1HB LYS 43 1HB LYS 43 0.043 5.179 4.976
342 2HB LYS 43 2HB LYS 43 1.036 3.772 5.397
343 1HG LYS 43 1HG LYS 43 1.600 5.103 7.173
344 2HG LYS 43 2HG LYS 43 2.774 5.733 6.023
345 1HD LYS 43 1HD LYS 43 1.444 7.643 5.551
346 2HD LYS 43 2HD LYS 43 0.006 6.920 6.273
347 1HE LYS 43 1HE LYS 43 2.365 7.204 8.056
348 2HE LYS 43 2HE LYS 43 1.569 8.702 7.577
349 1HZ LYS 43 1HZ LYS 43 -0.378 6.782 8.230
350 2HZ LYS 43 2HZ LYS 43 0.743 6.874 9.503
351 3HZ LYS 43 3HZ LYS 43 -0.064 8.272 8.984
352 H LEU 44 H LEU 44 0.640 3.009 2.764
353 HA LEU 44 HA LEU 44 2.853 1.140 3.206
354 1HB LEU 44 1HB LEU 44 1.160 -0.273 3.540
355 2HB LEU 44 2HB LEU 44 0.034 1.030 3.180
356 HG LEU 44 HG LEU 44 0.666 0.357 0.684
357 1HD1 LEU 44 1HD1 LEU 44 -1.487 0.306 2.267
358 2HD1 LEU 44 2HD1 LEU 44 -1.496 -0.363 0.635
359 3HD1 LEU 44 3HD1 LEU 44 -1.277 -1.427 2.026
360 1HD2 LEU 44 1HD2 LEU 44 1.967 -1.620 2.165
361 2HD2 LEU 44 2HD2 LEU 44 0.439 -2.384 1.720
362 3HD2 LEU 44 3HD2 LEU 44 1.512 -1.763 0.462
363 H LEU 45 H LEU 45 1.415 3.016 0.694
364 HA LEU 45 HA LEU 45 2.262 1.518 -1.580
365 1HB LEU 45 1HB LEU 45 0.998 3.972 -1.203
366 2HB LEU 45 2HB LEU 45 2.514 4.387 -1.939
367 HG LEU 45 HG LEU 45 1.302 2.120 -3.245
368 1HD1 LEU 45 1HD1 LEU 45 3.197 3.872 -3.837
369 2HD1 LEU 45 2HD1 LEU 45 2.187 3.180 -5.102
370 3HD1 LEU 45 3HD1 LEU 45 1.834 4.785 -4.474
371 1HD2 LEU 45 1HD2 LEU 45 -0.142 4.774 -3.180
372 2HD2 LEU 45 2HD2 LEU 45 -0.445 3.514 -4.372
373 3HD2 LEU 45 3HD2 LEU 45 -0.783 3.220 -2.671
374 H LYS 46 H LYS 46 3.904 3.806 0.537
375 HA LYS 46 HA LYS 46 6.204 4.182 -1.092
376 1HB LYS 46 1HB LYS 46 5.620 5.559 0.928
377 2HB LYS 46 2HB LYS 46 6.105 4.197 1.938
378 1HG LYS 46 1HG LYS 46 8.155 4.742 -0.020
379 2HG LYS 46 2HG LYS 46 7.773 6.215 0.873
380 1HD LYS 46 1HD LYS 46 7.880 4.657 2.975
381 2HD LYS 46 2HD LYS 46 8.789 3.580 1.915
382 1HE LYS 46 1HE LYS 46 10.542 4.842 2.716
383 2HE LYS 46 2HE LYS 46 10.077 5.865 1.358
384 1HZ LYS 46 1HZ LYS 46 9.065 6.175 4.132
385 2HZ LYS 46 2HZ LYS 46 10.319 7.099 3.454
386 3HZ LYS 46 3HZ LYS 46 8.750 7.205 2.818
387 H LEU 47 H LEU 47 5.180 1.596 0.975
388 HA LEU 47 HA LEU 47 7.841 0.290 0.945
389 1HB LEU 47 1HB LEU 47 5.173 -0.603 2.070
390 2HB LEU 47 2HB LEU 47 6.712 -1.426 2.323
391 HG LEU 47 HG LEU 47 6.358 1.471 3.074
392 1HD1 LEU 47 1HD1 LEU 47 8.404 -0.596 3.307
393 2HD1 LEU 47 2HD1 LEU 47 8.543 1.144 3.562
394 3HD1 LEU 47 3HD1 LEU 47 8.001 0.100 4.876
395 1HD2 LEU 47 1HD2 LEU 47 5.036 -0.838 4.223
396 2HD2 LEU 47 2HD2 LEU 47 6.150 -0.125 5.392
397 3HD2 LEU 47 3HD2 LEU 47 4.880 0.865 4.672
398 H ARG 48 H ARG 48 4.829 0.286 -0.724
399 HA ARG 48 HA ARG 48 5.513 -2.275 -2.093
400 1HB ARG 48 1HB ARG 48 3.365 -2.688 -1.449
401 2HB ARG 48 2HB ARG 48 3.013 -0.988 -1.200
402 1HG ARG 48 1HG ARG 48 3.178 -2.215 -3.961
403 2HG ARG 48 2HG ARG 48 1.682 -2.155 -3.035
404 1HD ARG 48 1HD ARG 48 2.804 0.426 -2.850
405 2HD ARG 48 2HD ARG 48 2.960 -0.031 -4.536
406 HE ARG 48 HE ARG 48 0.687 0.668 -4.533
407 1HH1 ARG 48 1HH1 ARG 48 1.236 -0.610 -1.456
408 2HH1 ARG 48 2HH1 ARG 48 -0.369 -1.225 -1.256
409 1HH2 ARG 48 1HH2 ARG 48 -1.332 -0.489 -4.508
410 2HH2 ARG 48 2HH2 ARG 48 -1.835 -1.144 -2.987
411 H GLU 49 H GLU 49 6.164 0.845 -2.518
412 HA GLU 49 HA GLU 49 5.293 1.104 -5.299
413 1HB GLU 49 1HB GLU 49 5.184 3.157 -4.166
414 2HB GLU 49 2HB GLU 49 6.677 2.857 -3.279
415 1HG GLU 49 1HG GLU 49 7.956 3.697 -4.924
416 2HG GLU 49 2HG GLU 49 7.020 2.896 -6.181
417 H GLN 50 H GLN 50 6.614 -1.025 -5.517
418 HA GLN 50 HA GLN 50 8.584 -2.144 -6.196
419 1HB GLN 50 1HB GLN 50 9.544 -1.166 -8.172
420 2HB GLN 50 2HB GLN 50 7.827 -0.755 -8.180
421 1HG GLN 50 1HG GLN 50 8.270 1.470 -7.401
422 2HG GLN 50 2HG GLN 50 9.951 1.079 -7.039
423 2HE2 GLN 50 2HE2 GLN 50 11.264 0.331 -9.063
424 1HE2 GLN 50 1HE2 GLN 50 10.933 1.130 -10.523
425 H GLY 51 H GLY 51 11.069 -0.847 -7.008
426 1HA GLY 51 1HA GLY 51 12.017 0.097 -4.330
427 2HA GLY 51 2HA GLY 51 12.683 0.702 -5.848
428 H THR 52 H THR 52 14.427 -0.392 -4.021
429 HA THR 52 HA THR 52 15.094 -3.025 -5.277
430 HB THR 52 HB THR 52 17.478 -2.425 -4.652
431 HG1 THR 52 HG1 THR 52 17.871 -0.323 -4.080
432 1HG2 THR 52 1HG2 THR 52 15.941 -0.643 -6.559
433 2HG2 THR 52 2HG2 THR 52 17.701 -0.745 -6.510
434 3HG2 THR 52 3HG2 THR 52 16.747 -2.165 -6.943
435 H GLU 53 H GLU 53 13.886 -4.159 -3.620
436 HA GLU 53 HA GLU 53 15.241 -4.108 -0.951
437 1HB GLU 53 1HB GLU 53 13.141 -4.597 0.106
438 2HB GLU 53 2HB GLU 53 12.838 -3.261 -1.000
439 1HG GLU 53 1HG GLU 53 12.430 -5.438 -2.625
440 2HG GLU 53 2HG GLU 53 11.823 -6.016 -1.074
441 H SER 54 H SER 54 15.743 -5.773 -3.419
442 HA SER 54 HA SER 54 16.026 -8.043 -3.981
443 1HB SER 54 1HB SER 54 16.956 -9.384 -2.187
444 2HB SER 54 2HB SER 54 17.547 -7.733 -1.993
445 HG SER 54 HG SER 54 16.587 -7.662 -0.147
446 H ARG 55 H ARG 55 15.213 -10.155 -1.866
447 HA ARG 55 HA ARG 55 13.321 -11.483 -1.472
448 1HB ARG 55 1HB ARG 55 12.450 -9.690 -0.149
449 2HB ARG 55 2HB ARG 55 12.079 -8.723 -1.578
450 1HG ARG 55 1HG ARG 55 10.198 -9.976 -2.105
451 2HG ARG 55 2HG ARG 55 10.823 -11.433 -1.333
452 1HD ARG 55 1HD ARG 55 9.688 -8.969 0.028
453 2HD ARG 55 2HD ARG 55 9.025 -10.607 0.048
454 HE ARG 55 HE ARG 55 11.656 -10.788 1.129
455 1HH1 ARG 55 1HH1 ARG 55 8.538 -10.884 2.138
456 2HH1 ARG 55 2HH1 ARG 55 8.789 -10.161 3.692
457 1HH2 ARG 55 1HH2 ARG 55 12.028 -9.142 2.987
458 2HH2 ARG 55 2HH2 ARG 55 10.766 -9.175 4.172
459 H SER 56 H SER 56 13.839 -12.302 -3.719
460 HA SER 56 HA SER 56 13.006 -13.072 -5.776
461 1HB SER 56 1HB SER 56 10.446 -11.570 -5.401
462 2HB SER 56 2HB SER 56 10.707 -13.195 -6.032
463 HG SER 56 HG SER 56 10.837 -13.981 -4.042
464 H SER 57 H SER 57 14.395 -10.486 -5.473
465 HA SER 57 HA SER 57 14.822 -8.528 -6.709
466 1HB SER 57 1HB SER 57 15.071 -8.933 -8.984
467 2HB SER 57 2HB SER 57 15.014 -10.584 -8.367
468 HG SER 57 HG SER 57 13.587 -10.193 -10.149
No H/Q in entry = 468
Start of MODEL 5
1 H1 ARG 1 H1 ARG 1 10.656 -8.592 -15.555
2 H2 ARG 1 H2 ARG 1 9.572 -9.848 -15.908
3 H3 ARG 1 H3 ARG 1 10.683 -9.331 -17.085
4 HA ARG 1 HA ARG 1 9.544 -7.418 -17.560
5 1HB ARG 1 1HB ARG 1 7.926 -9.818 -17.108
6 2HB ARG 1 2HB ARG 1 6.957 -8.359 -16.943
7 1HG ARG 1 1HG ARG 1 7.273 -9.522 -19.305
8 2HG ARG 1 2HG ARG 1 7.221 -7.766 -19.180
9 1HD ARG 1 1HD ARG 1 9.555 -7.562 -19.459
10 2HD ARG 1 2HD ARG 1 9.855 -9.231 -18.960
11 HE ARG 1 HE ARG 1 8.277 -9.279 -21.360
12 1HH1 ARG 1 1HH1 ARG 1 9.746 -10.758 -22.595
13 2HH1 ARG 1 2HH1 ARG 1 11.273 -10.068 -23.036
14 1HH2 ARG 1 1HH2 ARG 1 10.975 -7.367 -20.880
15 2HH2 ARG 1 2HH2 ARG 1 11.969 -8.148 -22.065
16 H GLN 2 H GLN 2 9.158 -8.510 -14.296
17 HA GLN 2 HA GLN 2 8.273 -7.455 -12.383
18 1HB GLN 2 1HB GLN 2 9.209 -5.270 -12.004
19 2HB GLN 2 2HB GLN 2 10.393 -6.185 -12.934
20 1HG GLN 2 1HG GLN 2 9.844 -5.049 -14.950
21 2HG GLN 2 2HG GLN 2 8.354 -4.395 -14.268
22 2HE2 GLN 2 2HE2 GLN 2 9.969 -2.477 -15.319
23 1HE2 GLN 2 1HE2 GLN 2 10.807 -1.629 -14.110
24 H GLU 3 H GLU 3 7.140 -5.008 -11.896
25 HA GLU 3 HA GLU 3 5.082 -4.494 -13.944
26 1HB GLU 3 1HB GLU 3 4.057 -6.333 -12.741
27 2HB GLU 3 2HB GLU 3 4.429 -5.581 -11.190
28 1HG GLU 3 1HG GLU 3 2.442 -4.526 -11.286
29 2HG GLU 3 2HG GLU 3 3.030 -3.634 -12.688
30 H ASP 4 H ASP 4 4.638 -3.838 -10.526
31 HA ASP 4 HA ASP 4 5.947 -1.300 -10.422
32 1HB ASP 4 1HB ASP 4 3.479 -1.322 -11.892
33 2HB ASP 4 2HB ASP 4 3.245 -0.399 -10.407
34 H LYS 5 H LYS 5 3.276 -3.330 -9.345
35 HA LYS 5 HA LYS 5 2.758 -3.970 -7.133
36 1HB LYS 5 1HB LYS 5 5.263 -2.836 -6.793
37 2HB LYS 5 2HB LYS 5 4.247 -1.877 -5.729
38 1HG LYS 5 1HG LYS 5 4.734 -4.854 -5.673
39 2HG LYS 5 2HG LYS 5 4.940 -3.679 -4.376
40 1HD LYS 5 1HD LYS 5 2.878 -4.216 -3.660
41 2HD LYS 5 2HD LYS 5 2.244 -3.455 -5.116
42 1HE LYS 5 1HE LYS 5 1.401 -5.754 -4.925
43 2HE LYS 5 2HE LYS 5 2.465 -5.616 -6.323
44 1HZ LYS 5 1HZ LYS 5 3.305 -6.592 -3.648
45 2HZ LYS 5 2HZ LYS 5 2.918 -7.592 -4.961
46 3HZ LYS 5 3HZ LYS 5 4.258 -6.552 -5.054
47 H ASP 6 H ASP 6 3.362 -0.420 -7.022
48 HA ASP 6 HA ASP 6 0.936 0.113 -5.580
49 1HB ASP 6 1HB ASP 6 1.293 2.484 -6.712
50 2HB ASP 6 2HB ASP 6 2.373 1.918 -5.439
51 H ASP 7 H ASP 7 1.346 -0.912 -8.762
52 HA ASP 7 HA ASP 7 -0.450 0.440 -10.349
53 1HB ASP 7 1HB ASP 7 0.801 -1.859 -10.719
54 2HB ASP 7 2HB ASP 7 -0.737 -2.545 -10.196
55 H LEU 8 H LEU 8 -1.159 -1.511 -7.515
56 HA LEU 8 HA LEU 8 -4.020 -1.628 -7.958
57 1HB LEU 8 1HB LEU 8 -2.580 -3.082 -6.342
58 2HB LEU 8 2HB LEU 8 -2.711 -1.721 -5.231
59 HG LEU 8 HG LEU 8 -5.313 -2.361 -6.344
60 1HD1 LEU 8 1HD1 LEU 8 -3.664 -4.622 -5.973
61 2HD1 LEU 8 2HD1 LEU 8 -4.747 -4.570 -4.581
62 3HD1 LEU 8 3HD1 LEU 8 -5.411 -4.602 -6.214
63 1HD2 LEU 8 1HD2 LEU 8 -4.044 -1.718 -3.807
64 2HD2 LEU 8 2HD2 LEU 8 -5.700 -1.413 -4.340
65 3HD2 LEU 8 3HD2 LEU 8 -5.277 -2.967 -3.620
66 H ASP 9 H ASP 9 -5.575 -0.154 -7.278
67 HA ASP 9 HA ASP 9 -4.926 2.565 -7.059
68 1HB ASP 9 1HB ASP 9 -7.297 0.909 -6.708
69 2HB ASP 9 2HB ASP 9 -7.299 2.285 -5.606
70 H VAL 10 H VAL 10 -4.681 0.114 -4.650
71 HA VAL 10 HA VAL 10 -4.329 0.149 -2.348
72 HB VAL 10 HB VAL 10 -2.288 1.015 -3.596
73 1HG1 VAL 10 1HG1 VAL 10 -3.203 3.549 -2.299
74 2HG1 VAL 10 2HG1 VAL 10 -1.575 3.282 -2.915
75 3HG1 VAL 10 3HG1 VAL 10 -2.946 3.261 -4.016
76 1HG2 VAL 10 1HG2 VAL 10 -2.864 1.099 -0.702
77 2HG2 VAL 10 2HG2 VAL 10 -1.746 0.078 -1.597
78 3HG2 VAL 10 3HG2 VAL 10 -1.313 1.749 -1.239
79 H THR 11 H THR 11 -6.493 2.085 -3.436
80 HA THR 11 HA THR 11 -6.815 3.486 -0.836
81 HB THR 11 HB THR 11 -6.054 5.278 -2.224
82 HG1 THR 11 HG1 THR 11 -8.033 6.493 -2.451
83 1HG2 THR 11 1HG2 THR 11 -6.951 3.759 -4.337
84 2HG2 THR 11 2HG2 THR 11 -8.101 5.092 -4.316
85 3HG2 THR 11 3HG2 THR 11 -6.373 5.418 -4.455
86 H GLU 12 H GLU 12 -8.529 2.870 -3.945
87 HA GLU 12 HA GLU 12 -11.124 2.842 -2.709
88 1HB GLU 12 1HB GLU 12 -11.936 1.951 -4.771
89 2HB GLU 12 2HB GLU 12 -10.594 3.000 -5.223
90 1HG GLU 12 1HG GLU 12 -9.492 1.273 -6.147
91 2HG GLU 12 2HG GLU 12 -9.610 0.338 -4.658
92 H LEU 13 H LEU 13 -8.499 0.641 -2.876
93 HA LEU 13 HA LEU 13 -9.431 -1.894 -2.608
94 1HB LEU 13 1HB LEU 13 -7.397 -2.360 -1.602
95 2HB LEU 13 2HB LEU 13 -7.061 -0.732 -2.175
96 HG LEU 13 HG LEU 13 -7.984 -1.507 0.587
97 1HD1 LEU 13 1HD1 LEU 13 -5.595 -1.978 0.070
98 2HD1 LEU 13 2HD1 LEU 13 -5.393 -0.311 -0.464
99 3HD1 LEU 13 3HD1 LEU 13 -5.738 -0.656 1.228
100 1HD2 LEU 13 1HD2 LEU 13 -8.802 0.745 -0.435
101 2HD2 LEU 13 2HD2 LEU 13 -8.083 0.746 1.170
102 3HD2 LEU 13 3HD2 LEU 13 -7.128 1.254 -0.222
103 H THR 14 H THR 14 -9.983 -3.247 -0.710
104 HA THR 14 HA THR 14 -12.056 -1.891 0.856
105 HB THR 14 HB THR 14 -12.854 -4.033 1.389
106 HG1 THR 14 HG1 THR 14 -10.145 -4.762 1.142
107 1HG2 THR 14 1HG2 THR 14 -12.253 -3.513 -1.212
108 2HG2 THR 14 2HG2 THR 14 -11.382 -5.029 -0.980
109 3HG2 THR 14 3HG2 THR 14 -13.118 -4.956 -0.681
110 H ASN 15 H ASN 15 -12.190 -2.643 3.291
111 HA ASN 15 HA ASN 15 -9.777 -1.619 4.579
112 1HB ASN 15 1HB ASN 15 -11.945 -2.785 6.235
113 2HB ASN 15 2HB ASN 15 -11.079 -1.260 6.418
114 2HD2 ASN 15 2HD2 ASN 15 -11.540 0.044 4.021
115 1HD2 ASN 15 1HD2 ASN 15 -13.203 0.268 3.771
116 H GLU 16 H GLU 16 -11.381 -4.787 4.340
117 HA GLU 16 HA GLU 16 -9.423 -5.968 6.201
118 1HB GLU 16 1HB GLU 16 -11.601 -7.245 4.517
119 2HB GLU 16 2HB GLU 16 -10.604 -8.101 5.690
120 1HG GLU 16 1HG GLU 16 -11.650 -5.784 6.982
121 2HG GLU 16 2HG GLU 16 -12.986 -6.585 6.154
122 H ASP 17 H ASP 17 -10.299 -6.379 2.770
123 HA ASP 17 HA ASP 17 -8.203 -8.152 2.093
124 1HB ASP 17 1HB ASP 17 -10.209 -6.739 0.690
125 2HB ASP 17 2HB ASP 17 -8.683 -6.319 -0.082
126 H LEU 18 H LEU 18 -7.952 -4.821 2.986
127 HA LEU 18 HA LEU 18 -5.359 -4.646 1.561
128 1HB LEU 18 1HB LEU 18 -5.349 -2.358 1.876
129 2HB LEU 18 2HB LEU 18 -7.051 -2.706 1.617
130 HG LEU 18 HG LEU 18 -7.285 -2.743 4.153
131 1HD1 LEU 18 1HD1 LEU 18 -4.426 -2.200 3.856
132 2HD1 LEU 18 2HD1 LEU 18 -5.241 -1.021 4.883
133 3HD1 LEU 18 3HD1 LEU 18 -5.314 -2.739 5.276
134 1HD2 LEU 18 1HD2 LEU 18 -7.951 -0.828 2.685
135 2HD2 LEU 18 2HD2 LEU 18 -7.420 -0.313 4.284
136 3HD2 LEU 18 3HD2 LEU 18 -6.340 -0.152 2.904
137 H LEU 19 H LEU 19 -6.651 -5.209 4.723
138 HA LEU 19 HA LEU 19 -4.392 -4.395 6.251
139 1HB LEU 19 1HB LEU 19 -6.510 -6.501 6.700
140 2HB LEU 19 2HB LEU 19 -5.178 -6.309 7.833
141 HG LEU 19 HG LEU 19 -7.426 -4.412 7.217
142 1HD1 LEU 19 1HD1 LEU 19 -6.089 -5.608 9.648
143 2HD1 LEU 19 2HD1 LEU 19 -7.187 -4.230 9.785
144 3HD1 LEU 19 3HD1 LEU 19 -7.773 -5.764 9.135
145 1HD2 LEU 19 1HD2 LEU 19 -4.615 -3.680 7.959
146 2HD2 LEU 19 2HD2 LEU 19 -5.809 -2.766 7.029
147 3HD2 LEU 19 3HD2 LEU 19 -5.928 -2.846 8.783
148 H ASP 20 H ASP 20 -4.808 -6.951 4.000
149 HA ASP 20 HA ASP 20 -2.588 -8.559 5.110
150 1HB ASP 20 1HB ASP 20 -4.753 -9.222 3.562
151 2HB ASP 20 2HB ASP 20 -3.494 -9.069 2.338
152 H GLN 21 H GLN 21 -3.220 -6.108 2.764
153 HA GLN 21 HA GLN 21 -0.748 -6.295 1.314
154 1HB GLN 21 1HB GLN 21 -2.929 -5.451 0.400
155 2HB GLN 21 2HB GLN 21 -2.850 -4.105 1.534
156 1HG GLN 21 1HG GLN 21 -1.936 -3.042 -0.115
157 2HG GLN 21 2HG GLN 21 -0.472 -3.859 0.385
158 2HE2 GLN 21 2HE2 GLN 21 -1.657 -2.967 -2.382
159 1HE2 GLN 21 1HE2 GLN 21 -1.461 -4.363 -3.329
160 H LEU 22 H LEU 22 -1.917 -4.724 4.203
161 HA LEU 22 HA LEU 22 0.479 -2.999 4.356
162 1HB LEU 22 1HB LEU 22 -2.224 -3.018 5.582
163 2HB LEU 22 2HB LEU 22 -0.914 -2.544 6.658
164 HG LEU 22 HG LEU 22 -0.295 -1.170 4.387
165 1HD1 LEU 22 1HD1 LEU 22 -2.550 -1.951 3.479
166 2HD1 LEU 22 2HD1 LEU 22 -3.282 -0.921 4.709
167 3HD1 LEU 22 3HD1 LEU 22 -2.274 -0.210 3.455
168 1HD2 LEU 22 1HD2 LEU 22 -0.854 -0.569 6.988
169 2HD2 LEU 22 2HD2 LEU 22 -0.555 0.647 5.762
170 3HD2 LEU 22 3HD2 LEU 22 -2.207 0.208 6.178
171 H VAL 23 H VAL 23 -1.319 -5.277 6.427
172 HA VAL 23 HA VAL 23 0.577 -5.616 8.448
173 HB VAL 23 HB VAL 23 -1.369 -7.634 7.295
174 1HG1 VAL 23 1HG1 VAL 23 0.641 -7.818 9.463
175 2HG1 VAL 23 2HG1 VAL 23 -0.971 -8.411 9.865
176 3HG1 VAL 23 3HG1 VAL 23 -0.096 -9.098 8.497
177 1HG2 VAL 23 1HG2 VAL 23 -2.111 -5.395 8.442
178 2HG2 VAL 23 2HG2 VAL 23 -2.897 -6.900 8.908
179 3HG2 VAL 23 3HG2 VAL 23 -1.632 -6.213 9.930
180 H LYS 24 H LYS 24 0.939 -6.699 5.137
181 HA LYS 24 HA LYS 24 2.916 -8.641 6.186
182 1HB LYS 24 1HB LYS 24 2.876 -9.746 4.050
183 2HB LYS 24 2HB LYS 24 1.201 -9.377 4.451
184 1HG LYS 24 1HG LYS 24 1.059 -8.299 2.492
185 2HG LYS 24 2HG LYS 24 2.121 -7.072 3.170
186 1HD LYS 24 1HD LYS 24 2.851 -9.482 1.467
187 2HD LYS 24 2HD LYS 24 3.137 -7.787 1.107
188 1HE LYS 24 1HE LYS 24 4.855 -7.650 2.839
189 2HE LYS 24 2HE LYS 24 4.491 -9.292 3.375
190 1HZ LYS 24 1HZ LYS 24 4.935 -9.670 0.775
191 2HZ LYS 24 2HZ LYS 24 5.998 -8.386 1.086
192 3HZ LYS 24 3HZ LYS 24 6.125 -9.826 1.978
193 H TYR 25 H TYR 25 2.761 -5.743 4.226
194 HA TYR 25 HA TYR 25 5.514 -5.933 3.364
195 1HB TYR 25 1HB TYR 25 3.399 -3.830 3.409
196 2HB TYR 25 2HB TYR 25 5.072 -3.290 3.316
197 HD1 TYR 25 HD1 TYR 25 6.520 -3.984 1.437
198 HD2 TYR 25 HD2 TYR 25 2.359 -5.016 1.582
199 HE1 TYR 25 HE1 TYR 25 6.583 -4.559 -0.976
200 HE2 TYR 25 HE2 TYR 25 2.411 -5.582 -0.834
201 HH TYR 25 HH TYR 25 5.426 -5.711 -2.619
202 H GLY 26 H GLY 26 4.176 -5.683 6.396
203 1HA GLY 26 1HA GLY 26 6.645 -4.426 7.461
204 2HA GLY 26 2HA GLY 26 5.563 -5.500 8.365
205 H VAL 27 H VAL 27 3.153 -4.277 7.262
206 HA VAL 27 HA VAL 27 3.291 -1.607 8.660
207 HB VAL 27 HB VAL 27 1.400 -2.282 6.392
208 1HG1 VAL 27 1HG1 VAL 27 0.709 -0.464 7.917
209 2HG1 VAL 27 2HG1 VAL 27 2.261 0.339 7.664
210 3HG1 VAL 27 3HG1 VAL 27 1.128 0.180 6.322
211 1HG2 VAL 27 1HG2 VAL 27 4.127 -2.029 6.092
212 2HG2 VAL 27 2HG2 VAL 27 2.936 -1.666 4.838
213 3HG2 VAL 27 3HG2 VAL 27 3.572 -0.373 5.858
214 H ASN 28 H ASN 28 2.072 -1.567 10.467
215 HA ASN 28 HA ASN 28 -0.453 -3.138 10.460
216 1HB ASN 28 1HB ASN 28 0.079 -3.161 13.083
217 2HB ASN 28 2HB ASN 28 0.663 -4.439 12.022
218 2HD2 ASN 28 2HD2 ASN 28 2.903 -3.652 10.859
219 1HD2 ASN 28 1HD2 ASN 28 4.047 -2.986 11.927
220 HA PRO 29 HA PRO 29 -1.472 1.204 11.173
221 1HB PRO 29 1HB PRO 29 -3.844 0.973 9.772
222 2HB PRO 29 2HB PRO 29 -2.300 1.389 9.034
223 1HG PRO 29 1HG PRO 29 -3.892 -1.099 8.980
224 2HG PRO 29 2HG PRO 29 -2.697 -0.509 7.815
225 1HD PRO 29 1HD PRO 29 -2.267 -2.516 9.751
226 2HD PRO 29 2HD PRO 29 -1.009 -1.718 8.813
227 H GLY 30 H GLY 30 -3.280 -1.737 11.871
228 1HA GLY 30 1HA GLY 30 -4.437 -0.438 14.227
229 2HA GLY 30 2HA GLY 30 -4.568 -2.146 13.820
230 HA PRO 31 HA PRO 31 -8.650 -0.317 12.798
231 1HB PRO 31 1HB PRO 31 -9.045 2.313 13.448
232 2HB PRO 31 2HB PRO 31 -9.121 0.996 14.618
233 1HG PRO 31 1HG PRO 31 -7.048 3.080 14.220
234 2HG PRO 31 2HG PRO 31 -7.401 2.116 15.663
235 1HD PRO 31 1HD PRO 31 -5.297 1.710 13.763
236 2HD PRO 31 2HD PRO 31 -5.721 0.636 15.108
237 H ILE 32 H ILE 32 -9.004 -0.273 10.623
238 HA ILE 32 HA ILE 32 -7.920 2.010 9.047
239 HB ILE 32 HB ILE 32 -9.129 -0.577 8.054
240 1HG1 ILE 32 1HG1 ILE 32 -6.750 -0.414 9.384
241 2HG1 ILE 32 2HG1 ILE 32 -7.095 -1.579 8.113
242 1HG2 ILE 32 1HG2 ILE 32 -7.649 1.682 6.707
243 2HG2 ILE 32 2HG2 ILE 32 -8.035 0.150 5.929
244 3HG2 ILE 32 3HG2 ILE 32 -9.332 1.216 6.464
245 1HD1 ILE 32 1HD1 ILE 32 -6.149 1.057 7.156
246 2HD1 ILE 32 2HD1 ILE 32 -4.967 0.110 8.060
247 3HD1 ILE 32 3HD1 ILE 32 -5.727 -0.566 6.622
248 H VAL 33 H VAL 33 -9.807 3.094 10.337
249 HA VAL 33 HA VAL 33 -12.521 2.653 9.751
250 HB VAL 33 HB VAL 33 -12.595 5.311 9.925
251 1HG1 VAL 33 1HG1 VAL 33 -12.804 3.197 11.702
252 2HG1 VAL 33 2HG1 VAL 33 -11.597 4.234 12.461
253 3HG1 VAL 33 3HG1 VAL 33 -13.189 4.879 12.067
254 1HG2 VAL 33 1HG2 VAL 33 -9.913 5.074 9.681
255 2HG2 VAL 33 2HG2 VAL 33 -10.681 6.375 10.589
256 3HG2 VAL 33 3HG2 VAL 33 -10.062 4.958 11.435
257 H GLY 34 H GLY 34 -13.805 4.424 8.309
258 1HA GLY 34 1HA GLY 34 -14.381 4.921 6.089
259 2HA GLY 34 2HA GLY 34 -13.082 3.847 5.580
260 H THR 35 H THR 35 -11.617 5.975 7.615
261 HA THR 35 HA THR 35 -11.079 7.932 5.436
262 HB THR 35 HB THR 35 -10.107 8.920 7.910
263 HG1 THR 35 HG1 THR 35 -11.530 8.299 9.298
264 1HG2 THR 35 1HG2 THR 35 -12.423 9.598 6.095
265 2HG2 THR 35 2HG2 THR 35 -12.030 10.567 7.514
266 3HG2 THR 35 3HG2 THR 35 -10.858 10.400 6.207
267 H THR 36 H THR 36 -9.764 5.253 6.783
268 HA THR 36 HA THR 36 -7.028 6.342 6.951
269 HB THR 36 HB THR 36 -6.510 3.894 7.581
270 HG1 THR 36 HG1 THR 36 -8.969 3.587 6.848
271 1HG2 THR 36 1HG2 THR 36 -8.267 5.771 9.160
272 2HG2 THR 36 2HG2 THR 36 -7.464 4.367 9.883
273 3HG2 THR 36 3HG2 THR 36 -6.504 5.682 9.173
274 H ARG 37 H ARG 37 -8.640 3.706 5.061
275 HA ARG 37 HA ARG 37 -6.608 2.802 3.512
276 1HB ARG 37 1HB ARG 37 -9.101 3.827 2.162
277 2HB ARG 37 2HB ARG 37 -8.072 2.502 1.651
278 1HG ARG 37 1HG ARG 37 -9.550 1.168 2.730
279 2HG ARG 37 2HG ARG 37 -8.714 1.699 4.204
280 1HD ARG 37 1HD ARG 37 -11.471 2.396 3.259
281 2HD ARG 37 2HD ARG 37 -10.795 2.550 4.878
282 HE ARG 37 HE ARG 37 -9.726 4.732 3.977
283 1HH1 ARG 37 1HH1 ARG 37 -10.244 6.298 2.300
284 2HH1 ARG 37 2HH1 ARG 37 -11.914 6.460 1.872
285 1HH2 ARG 37 1HH2 ARG 37 -12.903 3.625 3.609
286 2HH2 ARG 37 2HH2 ARG 37 -13.422 4.944 2.615
287 H LYS 38 H LYS 38 -8.085 6.037 2.929
288 HA LYS 38 HA LYS 38 -6.489 6.770 0.721
289 1HB LYS 38 1HB LYS 38 -8.264 8.240 1.381
290 2HB LYS 38 2HB LYS 38 -7.621 8.389 3.016
291 1HG LYS 38 1HG LYS 38 -6.275 10.084 2.396
292 2HG LYS 38 2HG LYS 38 -5.615 9.134 1.066
293 1HD LYS 38 1HD LYS 38 -6.680 11.095 0.123
294 2HD LYS 38 2HD LYS 38 -7.682 9.695 -0.261
295 1HE LYS 38 1HE LYS 38 -9.427 10.616 0.823
296 2HE LYS 38 2HE LYS 38 -8.472 10.731 2.301
297 1HZ LYS 38 1HZ LYS 38 -7.720 12.690 0.360
298 2HZ LYS 38 2HZ LYS 38 -9.357 12.824 0.797
299 3HZ LYS 38 3HZ LYS 38 -8.154 12.894 1.990
300 H LEU 39 H LEU 39 -5.896 7.336 4.190
301 HA LEU 39 HA LEU 39 -3.284 8.399 4.002
302 1HB LEU 39 1HB LEU 39 -5.031 7.672 6.071
303 2HB LEU 39 2HB LEU 39 -3.687 6.560 6.262
304 HG LEU 39 HG LEU 39 -3.202 9.510 5.952
305 1HD1 LEU 39 1HD1 LEU 39 -3.689 7.940 8.503
306 2HD1 LEU 39 2HD1 LEU 39 -3.101 9.601 8.434
307 3HD1 LEU 39 3HD1 LEU 39 -4.726 9.217 7.865
308 1HD2 LEU 39 1HD2 LEU 39 -1.698 7.117 7.036
309 2HD2 LEU 39 2HD2 LEU 39 -1.247 8.127 5.662
310 3HD2 LEU 39 3HD2 LEU 39 -1.157 8.775 7.303
311 H TYR 40 H TYR 40 -4.124 5.036 4.815
312 HA TYR 40 HA TYR 40 -1.472 4.047 4.449
313 1HB TYR 40 1HB TYR 40 -4.153 2.625 4.463
314 2HB TYR 40 2HB TYR 40 -2.594 1.813 4.599
315 HD1 TYR 40 HD1 TYR 40 -0.971 3.351 6.312
316 HD2 TYR 40 HD2 TYR 40 -5.221 2.786 6.531
317 HE1 TYR 40 HE1 TYR 40 -0.912 3.866 8.737
318 HE2 TYR 40 HE2 TYR 40 -5.159 3.296 8.949
319 HH TYR 40 HH TYR 40 -3.891 3.784 10.699
320 H GLU 41 H GLU 41 -3.593 5.163 2.149
321 HA GLU 41 HA GLU 41 -3.174 3.242 0.021
322 1HB GLU 41 1HB GLU 41 -4.715 4.609 -1.006
323 2HB GLU 41 2HB GLU 41 -4.702 5.599 0.438
324 1HG GLU 41 1HG GLU 41 -3.025 7.047 -0.446
325 2HG GLU 41 2HG GLU 41 -2.668 5.925 -1.755
326 H LYS 42 H LYS 42 -1.314 5.808 1.454
327 HA LYS 42 HA LYS 42 0.660 5.435 -0.717
328 1HB LYS 42 1HB LYS 42 -0.036 7.730 -0.713
329 2HB LYS 42 2HB LYS 42 0.064 7.826 1.044
330 1HG LYS 42 1HG LYS 42 2.004 8.874 -0.259
331 2HG LYS 42 2HG LYS 42 2.448 7.730 1.007
332 1HD LYS 42 1HD LYS 42 3.748 7.131 -0.905
333 2HD LYS 42 2HD LYS 42 2.463 5.938 -0.800
334 1HE LYS 42 1HE LYS 42 1.821 8.365 -2.379
335 2HE LYS 42 2HE LYS 42 3.059 7.324 -3.075
336 1HZ LYS 42 1HZ LYS 42 0.358 6.430 -2.211
337 2HZ LYS 42 2HZ LYS 42 0.828 6.715 -3.814
338 3HZ LYS 42 3HZ LYS 42 1.539 5.455 -2.934
339 H LYS 43 H LYS 43 0.177 5.806 2.778
340 HA LYS 43 HA LYS 43 2.762 5.620 3.775
341 1HB LYS 43 1HB LYS 43 0.118 5.006 4.757
342 2HB LYS 43 2HB LYS 43 1.290 3.827 5.367
343 1HG LYS 43 1HG LYS 43 1.748 6.820 5.451
344 2HG LYS 43 2HG LYS 43 1.009 5.931 6.772
345 1HD LYS 43 1HD LYS 43 2.963 4.782 7.286
346 2HD LYS 43 2HD LYS 43 3.607 4.946 5.654
347 1HE LYS 43 1HE LYS 43 4.533 6.982 6.091
348 2HE LYS 43 2HE LYS 43 3.157 7.504 7.063
349 1HZ LYS 43 1HZ LYS 43 5.175 5.534 7.984
350 2HZ LYS 43 2HZ LYS 43 5.251 7.194 8.331
351 3HZ LYS 43 3HZ LYS 43 3.954 6.262 8.910
352 H LEU 44 H LEU 44 0.730 2.958 2.600
353 HA LEU 44 HA LEU 44 2.902 1.058 3.106
354 1HB LEU 44 1HB LEU 44 1.151 -0.277 3.490
355 2HB LEU 44 2HB LEU 44 0.062 1.020 3.008
356 HG LEU 44 HG LEU 44 0.773 0.222 0.594
357 1HD1 LEU 44 1HD1 LEU 44 -1.449 0.325 1.913
358 2HD1 LEU 44 2HD1 LEU 44 -1.354 -0.719 0.499
359 3HD1 LEU 44 3HD1 LEU 44 -1.215 -1.411 2.116
360 1HD2 LEU 44 1HD2 LEU 44 1.993 -1.706 2.249
361 2HD2 LEU 44 2HD2 LEU 44 0.518 -2.489 1.655
362 3HD2 LEU 44 3HD2 LEU 44 1.709 -1.861 0.510
363 H LEU 45 H LEU 45 1.488 2.901 0.553
364 HA LEU 45 HA LEU 45 2.349 1.343 -1.689
365 1HB LEU 45 1HB LEU 45 0.773 3.439 -1.544
366 2HB LEU 45 2HB LEU 45 2.269 4.339 -1.763
367 HG LEU 45 HG LEU 45 1.722 2.046 -3.615
368 1HD1 LEU 45 1HD1 LEU 45 3.015 4.781 -3.804
369 2HD1 LEU 45 2HD1 LEU 45 3.803 3.209 -3.896
370 3HD1 LEU 45 3HD1 LEU 45 2.754 3.745 -5.206
371 1HD2 LEU 45 1HD2 LEU 45 -0.004 4.392 -3.291
372 2HD2 LEU 45 2HD2 LEU 45 0.642 4.235 -4.925
373 3HD2 LEU 45 3HD2 LEU 45 -0.282 2.912 -4.213
374 H LYS 46 H LYS 46 4.033 3.526 0.494
375 HA LYS 46 HA LYS 46 6.324 3.903 -1.266
376 1HB LYS 46 1HB LYS 46 5.907 4.278 1.713
377 2HB LYS 46 2HB LYS 46 7.472 4.547 0.946
378 1HG LYS 46 1HG LYS 46 6.808 6.587 0.264
379 2HG LYS 46 2HG LYS 46 5.446 5.874 -0.601
380 1HD LYS 46 1HD LYS 46 4.281 7.170 0.906
381 2HD LYS 46 2HD LYS 46 4.451 5.704 1.871
382 1HE LYS 46 1HE LYS 46 6.577 6.679 2.822
383 2HE LYS 46 2HE LYS 46 6.187 8.185 1.992
384 1HZ LYS 46 1HZ LYS 46 4.061 8.212 3.188
385 2HZ LYS 46 2HZ LYS 46 4.530 6.818 4.042
386 3HZ LYS 46 3HZ LYS 46 5.389 8.271 4.242
387 H LEU 47 H LEU 47 5.980 2.024 1.770
388 HA LEU 47 HA LEU 47 8.276 0.416 1.553
389 1HB LEU 47 1HB LEU 47 5.472 -0.424 2.358
390 2HB LEU 47 2HB LEU 47 6.930 -1.342 2.715
391 HG LEU 47 HG LEU 47 6.693 1.523 3.591
392 1HD1 LEU 47 1HD1 LEU 47 8.816 -0.004 3.688
393 2HD1 LEU 47 2HD1 LEU 47 8.383 0.930 5.119
394 3HD1 LEU 47 3HD1 LEU 47 7.986 -0.786 5.032
395 1HD2 LEU 47 1HD2 LEU 47 4.927 -0.582 4.338
396 2HD2 LEU 47 2HD2 LEU 47 6.021 -0.315 5.698
397 3HD2 LEU 47 3HD2 LEU 47 5.060 1.022 5.065
398 H ARG 48 H ARG 48 5.287 0.424 -0.162
399 HA ARG 48 HA ARG 48 5.556 -2.108 -1.517
400 1HB ARG 48 1HB ARG 48 3.379 -1.059 -1.125
401 2HB ARG 48 2HB ARG 48 3.863 0.348 -2.064
402 1HG ARG 48 1HG ARG 48 4.313 -1.476 -3.928
403 2HG ARG 48 2HG ARG 48 3.124 -2.383 -2.993
404 1HD ARG 48 1HD ARG 48 2.752 0.429 -4.083
405 2HD ARG 48 2HD ARG 48 2.021 -1.021 -4.745
406 HE ARG 48 HE ARG 48 0.816 0.461 -2.726
407 1HH1 ARG 48 1HH1 ARG 48 1.461 -2.773 -3.611
408 2HH1 ARG 48 2HH1 ARG 48 0.609 -3.463 -2.275
409 1HH2 ARG 48 1HH2 ARG 48 -0.115 -0.400 -0.832
410 2HH2 ARG 48 2HH2 ARG 48 -0.289 -2.115 -0.700
411 H GLU 49 H GLU 49 4.973 0.668 -3.531
412 HA GLU 49 HA GLU 49 5.948 0.979 -5.697
413 1HB GLU 49 1HB GLU 49 7.765 1.946 -3.504
414 2HB GLU 49 2HB GLU 49 8.237 2.153 -5.191
415 1HG GLU 49 1HG GLU 49 6.068 3.290 -5.631
416 2HG GLU 49 2HG GLU 49 5.662 3.135 -3.921
417 H GLN 50 H GLN 50 6.176 -1.279 -6.311
418 HA GLN 50 HA GLN 50 8.177 -3.086 -5.814
419 1HB GLN 50 1HB GLN 50 6.689 -3.831 -7.433
420 2HB GLN 50 2HB GLN 50 6.728 -2.311 -8.320
421 1HG GLN 50 1HG GLN 50 8.463 -2.994 -9.626
422 2HG GLN 50 2HG GLN 50 9.318 -3.735 -8.274
423 2HE2 GLN 50 2HE2 GLN 50 9.520 -5.951 -8.582
424 1HE2 GLN 50 1HE2 GLN 50 8.357 -6.949 -9.311
425 H GLY 51 H GLY 51 10.377 -3.232 -6.154
426 1HA GLY 51 1HA GLY 51 11.756 -0.798 -7.083
427 2HA GLY 51 2HA GLY 51 12.057 -2.255 -8.032
428 H THR 52 H THR 52 13.780 -0.587 -6.115
429 HA THR 52 HA THR 52 15.517 -1.053 -4.607
430 HB THR 52 HB THR 52 13.606 -3.053 -3.380
431 HG1 THR 52 HG1 THR 52 12.409 -1.240 -3.544
432 1HG2 THR 52 1HG2 THR 52 16.096 -2.638 -2.649
433 2HG2 THR 52 2HG2 THR 52 15.436 -1.170 -1.927
434 3HG2 THR 52 3HG2 THR 52 14.833 -2.748 -1.421
435 H GLU 53 H GLU 53 15.014 -2.806 -7.063
436 HA GLU 53 HA GLU 53 15.808 -4.842 -7.955
437 1HB GLU 53 1HB GLU 53 17.876 -3.365 -7.250
438 2HB GLU 53 2HB GLU 53 18.094 -4.614 -6.023
439 1HG GLU 53 1HG GLU 53 19.014 -5.974 -7.562
440 2HG GLU 53 2HG GLU 53 17.534 -5.901 -8.517
441 H SER 54 H SER 54 14.148 -6.192 -6.987
442 HA SER 54 HA SER 54 14.416 -7.328 -4.358
443 1HB SER 54 1HB SER 54 12.745 -8.998 -5.189
444 2HB SER 54 2HB SER 54 12.259 -7.330 -5.489
445 HG SER 54 HG SER 54 12.180 -7.847 -7.503
446 H ARG 55 H ARG 55 16.171 -7.847 -7.204
447 HA ARG 55 HA ARG 55 16.731 -10.685 -6.759
448 1HB ARG 55 1HB ARG 55 17.436 -8.629 -8.747
449 2HB ARG 55 2HB ARG 55 18.727 -9.781 -8.415
450 1HG ARG 55 1HG ARG 55 17.620 -11.497 -9.407
451 2HG ARG 55 2HG ARG 55 16.085 -11.043 -8.674
452 1HD ARG 55 1HD ARG 55 16.547 -10.840 -11.326
453 2HD ARG 55 2HD ARG 55 15.449 -9.755 -10.467
454 HE ARG 55 HE ARG 55 18.206 -8.748 -10.448
455 1HH1 ARG 55 1HH1 ARG 55 17.942 -6.518 -11.119
456 2HH1 ARG 55 2HH1 ARG 55 17.075 -6.234 -12.591
457 1HH2 ARG 55 1HH2 ARG 55 15.926 -9.495 -12.854
458 2HH2 ARG 55 2HH2 ARG 55 15.934 -7.919 -13.574
459 H SER 56 H SER 56 17.567 -8.035 -5.033
460 HA SER 56 HA SER 56 19.401 -7.466 -3.666
461 1HB SER 56 1HB SER 56 19.930 -9.170 -2.183
462 2HB SER 56 2HB SER 56 18.450 -9.819 -2.886
463 HG SER 56 HG SER 56 20.395 -11.222 -2.816
464 H SER 57 H SER 57 20.072 -7.389 -6.407
465 HA SER 57 HA SER 57 22.557 -8.875 -6.823
466 1HB SER 57 1HB SER 57 21.824 -6.489 -8.475
467 2HB SER 57 2HB SER 57 22.518 -8.029 -8.981
468 HG SER 57 HG SER 57 20.591 -8.854 -9.151
No H/Q in entry = 468
Start of MODEL 6
1 H1 ARG 1 H1 ARG 1 5.062 -8.279 -14.995
2 H2 ARG 1 H2 ARG 1 6.707 -8.680 -14.904
3 H3 ARG 1 H3 ARG 1 5.550 -9.899 -15.159
4 HA ARG 1 HA ARG 1 4.810 -9.873 -12.997
5 1HB ARG 1 1HB ARG 1 7.625 -8.943 -12.485
6 2HB ARG 1 2HB ARG 1 6.731 -10.251 -11.710
7 1HG ARG 1 1HG ARG 1 7.793 -10.226 -14.552
8 2HG ARG 1 2HG ARG 1 8.393 -11.209 -13.215
9 1HD ARG 1 1HD ARG 1 5.498 -11.493 -13.637
10 2HD ARG 1 2HD ARG 1 6.449 -11.998 -15.038
11 HE ARG 1 HE ARG 1 7.657 -13.139 -12.706
12 1HH1 ARG 1 1HH1 ARG 1 4.862 -13.619 -11.876
13 2HH1 ARG 1 2HH1 ARG 1 4.472 -15.109 -12.668
14 1HH2 ARG 1 1HH2 ARG 1 7.112 -14.918 -14.907
15 2HH2 ARG 1 2HH2 ARG 1 5.746 -15.844 -14.385
16 H GLN 2 H GLN 2 3.573 -7.680 -13.471
17 HA GLN 2 HA GLN 2 2.876 -5.624 -12.581
18 1HB GLN 2 1HB GLN 2 4.662 -6.670 -10.382
19 2HB GLN 2 2HB GLN 2 3.875 -5.099 -10.253
20 1HG GLN 2 1HG GLN 2 2.609 -7.079 -9.237
21 2HG GLN 2 2HG GLN 2 1.696 -6.072 -10.361
22 2HE2 GLN 2 2HE2 GLN 2 3.092 -9.262 -9.877
23 1HE2 GLN 2 1HE2 GLN 2 2.482 -9.953 -11.303
24 H GLU 3 H GLU 3 3.511 -3.659 -13.324
25 HA GLU 3 HA GLU 3 6.447 -3.142 -13.532
26 1HB GLU 3 1HB GLU 3 4.723 -3.132 -15.577
27 2HB GLU 3 2HB GLU 3 4.436 -1.489 -15.009
28 1HG GLU 3 1HG GLU 3 6.236 -1.609 -16.738
29 2HG GLU 3 2HG GLU 3 6.811 -0.962 -15.202
30 H ASP 4 H ASP 4 4.423 -2.635 -11.254
31 HA ASP 4 HA ASP 4 5.491 -0.010 -10.538
32 1HB ASP 4 1HB ASP 4 2.539 -0.376 -11.112
33 2HB ASP 4 2HB ASP 4 3.182 0.965 -10.166
34 H LYS 5 H LYS 5 3.273 -2.670 -9.816
35 HA LYS 5 HA LYS 5 3.116 -3.891 -7.794
36 1HB LYS 5 1HB LYS 5 5.453 -2.920 -7.287
37 2HB LYS 5 2HB LYS 5 4.599 -1.673 -6.379
38 1HG LYS 5 1HG LYS 5 5.045 -3.303 -4.742
39 2HG LYS 5 2HG LYS 5 3.389 -3.674 -5.225
40 1HD LYS 5 1HD LYS 5 4.099 -5.485 -6.615
41 2HD LYS 5 2HD LYS 5 5.787 -4.987 -6.522
42 1HE LYS 5 1HE LYS 5 5.899 -5.576 -4.179
43 2HE LYS 5 2HE LYS 5 4.160 -5.869 -4.121
44 1HZ LYS 5 1HZ LYS 5 4.923 -7.471 -6.128
45 2HZ LYS 5 2HZ LYS 5 6.286 -7.553 -5.118
46 3HZ LYS 5 3HZ LYS 5 4.753 -7.975 -4.518
47 H ASP 6 H ASP 6 3.022 -0.355 -7.121
48 HA ASP 6 HA ASP 6 0.711 -0.630 -5.397
49 1HB ASP 6 1HB ASP 6 0.855 1.709 -5.142
50 2HB ASP 6 2HB ASP 6 2.521 1.227 -5.429
51 H ASP 7 H ASP 7 0.824 -1.140 -8.620
52 HA ASP 7 HA ASP 7 -0.973 0.388 -9.998
53 1HB ASP 7 1HB ASP 7 -1.795 -1.723 -11.080
54 2HB ASP 7 2HB ASP 7 -0.036 -1.624 -10.984
55 H LEU 8 H LEU 8 -1.737 -1.725 -7.282
56 HA LEU 8 HA LEU 8 -4.599 -1.629 -7.617
57 1HB LEU 8 1HB LEU 8 -3.204 -3.228 -6.125
58 2HB LEU 8 2HB LEU 8 -3.187 -1.911 -4.956
59 HG LEU 8 HG LEU 8 -5.875 -2.421 -6.008
60 1HD1 LEU 8 1HD1 LEU 8 -4.787 -4.734 -6.063
61 2HD1 LEU 8 2HD1 LEU 8 -4.642 -4.597 -4.311
62 3HD1 LEU 8 3HD1 LEU 8 -6.234 -4.585 -5.068
63 1HD2 LEU 8 1HD2 LEU 8 -4.574 -1.514 -3.642
64 2HD2 LEU 8 2HD2 LEU 8 -6.301 -1.509 -4.002
65 3HD2 LEU 8 3HD2 LEU 8 -5.569 -2.902 -3.204
66 H ASP 9 H ASP 9 -5.994 0.014 -7.086
67 HA ASP 9 HA ASP 9 -5.262 2.636 -6.708
68 1HB ASP 9 1HB ASP 9 -7.687 1.085 -6.214
69 2HB ASP 9 2HB ASP 9 -7.538 2.448 -5.109
70 H VAL 10 H VAL 10 -5.537 0.184 -4.190
71 HA VAL 10 HA VAL 10 -4.960 0.124 -1.969
72 HB VAL 10 HB VAL 10 -2.852 0.590 -3.279
73 1HG1 VAL 10 1HG1 VAL 10 -3.588 3.291 -2.494
74 2HG1 VAL 10 2HG1 VAL 10 -1.914 2.858 -2.201
75 3HG1 VAL 10 3HG1 VAL 10 -2.589 2.731 -3.820
76 1HG2 VAL 10 1HG2 VAL 10 -3.393 0.356 -0.529
77 2HG2 VAL 10 2HG2 VAL 10 -2.049 1.486 -0.707
78 3HG2 VAL 10 3HG2 VAL 10 -1.935 -0.129 -1.395
79 H THR 11 H THR 11 -6.548 2.726 -3.117
80 HA THR 11 HA THR 11 -6.604 3.995 -0.414
81 HB THR 11 HB THR 11 -5.759 5.754 -1.703
82 HG1 THR 11 HG1 THR 11 -8.545 5.995 -2.136
83 1HG2 THR 11 1HG2 THR 11 -7.347 4.502 -3.910
84 2HG2 THR 11 2HG2 THR 11 -6.931 6.210 -4.019
85 3HG2 THR 11 3HG2 THR 11 -5.656 5.000 -3.889
86 H GLU 12 H GLU 12 -8.473 3.169 -3.327
87 HA GLU 12 HA GLU 12 -11.006 3.635 -1.889
88 1HB GLU 12 1HB GLU 12 -11.959 3.716 -3.964
89 2HB GLU 12 2HB GLU 12 -10.301 3.851 -4.542
90 1HG GLU 12 1HG GLU 12 -11.023 2.074 -5.832
91 2HG GLU 12 2HG GLU 12 -10.409 1.193 -4.432
92 H LEU 13 H LEU 13 -8.882 1.068 -2.873
93 HA LEU 13 HA LEU 13 -10.302 -1.255 -2.796
94 1HB LEU 13 1HB LEU 13 -8.292 -2.310 -2.331
95 2HB LEU 13 2HB LEU 13 -7.674 -0.695 -2.678
96 HG LEU 13 HG LEU 13 -8.343 -1.785 0.056
97 1HD1 LEU 13 1HD1 LEU 13 -5.899 -1.627 -1.627
98 2HD1 LEU 13 2HD1 LEU 13 -5.691 -1.161 0.060
99 3HD1 LEU 13 3HD1 LEU 13 -6.297 -2.767 -0.346
100 1HD2 LEU 13 1HD2 LEU 13 -8.651 0.737 -0.377
101 2HD2 LEU 13 2HD2 LEU 13 -7.604 0.273 0.960
102 3HD2 LEU 13 3HD2 LEU 13 -6.899 0.787 -0.569
103 H THR 14 H THR 14 -10.847 -2.805 -1.095
104 HA THR 14 HA THR 14 -12.402 -1.559 0.982
105 HB THR 14 HB THR 14 -12.646 -3.994 1.771
106 HG1 THR 14 HG1 THR 14 -11.479 -4.573 -0.719
107 1HG2 THR 14 1HG2 THR 14 -13.331 -3.071 -1.024
108 2HG2 THR 14 2HG2 THR 14 -13.938 -4.584 -0.352
109 3HG2 THR 14 3HG2 THR 14 -14.362 -3.050 0.407
110 H ASN 15 H ASN 15 -12.105 -2.811 3.297
111 HA ASN 15 HA ASN 15 -9.405 -1.952 4.177
112 1HB ASN 15 1HB ASN 15 -10.518 -2.185 6.493
113 2HB ASN 15 2HB ASN 15 -11.072 -0.874 5.454
114 2HD2 ASN 15 2HD2 ASN 15 -12.056 -3.773 7.097
115 1HD2 ASN 15 1HD2 ASN 15 -13.652 -3.808 6.520
116 H GLU 16 H GLU 16 -11.675 -4.618 4.969
117 HA GLU 16 HA GLU 16 -9.808 -6.224 6.348
118 1HB GLU 16 1HB GLU 16 -12.282 -6.591 6.263
119 2HB GLU 16 2HB GLU 16 -12.095 -7.207 4.623
120 1HG GLU 16 1HG GLU 16 -10.445 -8.889 5.543
121 2HG GLU 16 2HG GLU 16 -10.910 -8.363 7.160
122 H ASP 17 H ASP 17 -9.920 -5.501 3.001
123 HA ASP 17 HA ASP 17 -8.376 -7.957 2.341
124 1HB ASP 17 1HB ASP 17 -9.910 -5.953 0.726
125 2HB ASP 17 2HB ASP 17 -8.633 -6.885 -0.052
126 H LEU 18 H LEU 18 -7.953 -4.473 2.665
127 HA LEU 18 HA LEU 18 -5.366 -4.633 1.284
128 1HB LEU 18 1HB LEU 18 -5.247 -2.357 1.367
129 2HB LEU 18 2HB LEU 18 -6.994 -2.573 1.433
130 HG LEU 18 HG LEU 18 -6.669 -2.540 4.007
131 1HD1 LEU 18 1HD1 LEU 18 -3.995 -2.222 3.114
132 2HD1 LEU 18 2HD1 LEU 18 -4.492 -0.686 3.823
133 3HD1 LEU 18 3HD1 LEU 18 -4.587 -2.170 4.775
134 1HD2 LEU 18 1HD2 LEU 18 -7.704 -0.765 2.513
135 2HD2 LEU 18 2HD2 LEU 18 -7.009 -0.178 4.024
136 3HD2 LEU 18 3HD2 LEU 18 -6.127 0.023 2.511
137 H LEU 19 H LEU 19 -6.565 -5.118 4.440
138 HA LEU 19 HA LEU 19 -4.338 -4.310 5.998
139 1HB LEU 19 1HB LEU 19 -6.357 -6.538 6.321
140 2HB LEU 19 2HB LEU 19 -5.042 -6.344 7.473
141 HG LEU 19 HG LEU 19 -7.311 -4.445 6.877
142 1HD1 LEU 19 1HD1 LEU 19 -6.149 -5.789 9.327
143 2HD1 LEU 19 2HD1 LEU 19 -7.336 -4.486 9.431
144 3HD1 LEU 19 3HD1 LEU 19 -7.759 -6.003 8.638
145 1HD2 LEU 19 1HD2 LEU 19 -4.565 -3.828 7.921
146 2HD2 LEU 19 2HD2 LEU 19 -5.627 -2.841 6.913
147 3HD2 LEU 19 3HD2 LEU 19 -5.946 -3.002 8.638
148 H ASP 20 H ASP 20 -4.676 -6.787 3.637
149 HA ASP 20 HA ASP 20 -2.465 -8.428 4.613
150 1HB ASP 20 1HB ASP 20 -4.480 -8.718 2.679
151 2HB ASP 20 2HB ASP 20 -2.979 -8.646 1.757
152 H GLN 21 H GLN 21 -2.906 -5.820 2.251
153 HA GLN 21 HA GLN 21 -0.249 -5.898 1.194
154 1HB GLN 21 1HB GLN 21 -2.271 -3.617 1.324
155 2HB GLN 21 2HB GLN 21 -0.779 -3.590 0.402
156 1HG GLN 21 1HG GLN 21 -2.210 -5.978 -0.216
157 2HG GLN 21 2HG GLN 21 -3.273 -4.602 -0.427
158 2HE2 GLN 21 2HE2 GLN 21 -2.414 -2.841 -1.910
159 1HE2 GLN 21 1HE2 GLN 21 -1.339 -3.299 -3.122
160 H LEU 22 H LEU 22 -1.628 -4.537 4.077
161 HA LEU 22 HA LEU 22 0.813 -2.926 4.524
162 1HB LEU 22 1HB LEU 22 -1.956 -2.938 5.597
163 2HB LEU 22 2HB LEU 22 -0.682 -2.529 6.745
164 HG LEU 22 HG LEU 22 0.048 -1.116 4.527
165 1HD1 LEU 22 1HD1 LEU 22 -2.263 -1.799 3.604
166 2HD1 LEU 22 2HD1 LEU 22 -2.907 -0.663 4.787
167 3HD1 LEU 22 3HD1 LEU 22 -1.823 -0.095 3.519
168 1HD2 LEU 22 1HD2 LEU 22 -0.466 -0.545 7.108
169 2HD2 LEU 22 2HD2 LEU 22 -0.184 0.698 5.905
170 3HD2 LEU 22 3HD2 LEU 22 -1.832 0.262 6.354
171 H VAL 23 H VAL 23 -1.170 -5.179 6.451
172 HA VAL 23 HA VAL 23 0.695 -5.689 8.459
173 HB VAL 23 HB VAL 23 -1.349 -7.593 7.290
174 1HG1 VAL 23 1HG1 VAL 23 0.520 -7.735 9.586
175 2HG1 VAL 23 2HG1 VAL 23 -1.145 -8.199 9.934
176 3HG1 VAL 23 3HG1 VAL 23 -0.242 -9.037 8.672
177 1HG2 VAL 23 1HG2 VAL 23 -1.968 -5.209 8.262
178 2HG2 VAL 23 2HG2 VAL 23 -2.928 -6.622 8.700
179 3HG2 VAL 23 3HG2 VAL 23 -1.704 -6.009 9.811
180 H LYS 24 H LYS 24 1.113 -6.603 5.134
181 HA LYS 24 HA LYS 24 2.852 -8.783 6.146
182 1HB LYS 24 1HB LYS 24 2.799 -9.797 3.977
183 2HB LYS 24 2HB LYS 24 1.148 -9.284 4.311
184 1HG LYS 24 1HG LYS 24 1.209 -8.133 2.389
185 2HG LYS 24 2HG LYS 24 2.345 -7.035 3.163
186 1HD LYS 24 1HD LYS 24 2.934 -9.460 1.423
187 2HD LYS 24 2HD LYS 24 3.385 -7.791 1.118
188 1HE LYS 24 1HE LYS 24 5.016 -7.844 2.945
189 2HE LYS 24 2HE LYS 24 4.494 -9.470 3.395
190 1HZ LYS 24 1HZ LYS 24 5.150 -10.211 1.165
191 2HZ LYS 24 2HZ LYS 24 5.761 -8.662 0.843
192 3HZ LYS 24 3HZ LYS 24 6.455 -9.609 2.071
193 H TYR 25 H TYR 25 3.016 -5.795 4.310
194 HA TYR 25 HA TYR 25 5.800 -6.170 3.592
195 1HB TYR 25 1HB TYR 25 3.867 -3.886 3.604
196 2HB TYR 25 2HB TYR 25 5.588 -3.514 3.565
197 HD1 TYR 25 HD1 TYR 25 2.762 -4.922 1.741
198 HD2 TYR 25 HD2 TYR 25 7.007 -4.310 1.699
199 HE1 TYR 25 HE1 TYR 25 2.810 -5.453 -0.687
200 HE2 TYR 25 HE2 TYR 25 7.066 -4.845 -0.724
201 HH TYR 25 HH TYR 25 4.604 -4.730 -2.685
202 H GLY 26 H GLY 26 4.326 -5.953 6.544
203 1HA GLY 26 1HA GLY 26 6.783 -4.862 7.778
204 2HA GLY 26 2HA GLY 26 5.581 -5.874 8.597
205 H VAL 27 H VAL 27 3.320 -4.463 7.397
206 HA VAL 27 HA VAL 27 3.641 -1.787 8.746
207 HB VAL 27 HB VAL 27 1.648 -2.439 6.558
208 1HG1 VAL 27 1HG1 VAL 27 1.065 -0.573 8.063
209 2HG1 VAL 27 2HG1 VAL 27 2.641 0.163 7.764
210 3HG1 VAL 27 3HG1 VAL 27 1.474 0.031 6.450
211 1HG2 VAL 27 1HG2 VAL 27 4.355 -2.350 6.160
212 2HG2 VAL 27 2HG2 VAL 27 3.161 -1.865 4.942
213 3HG2 VAL 27 3HG2 VAL 27 3.927 -0.649 5.973
214 H ASN 28 H ASN 28 2.230 -1.206 10.310
215 HA ASN 28 HA ASN 28 -0.223 -2.857 10.715
216 1HB ASN 28 1HB ASN 28 0.558 -2.106 13.287
217 2HB ASN 28 2HB ASN 28 0.694 -3.722 12.601
218 2HD2 ASN 28 2HD2 ASN 28 2.809 -3.838 11.042
219 1HD2 ASN 28 1HD2 ASN 28 4.220 -3.216 11.750
220 HA PRO 29 HA PRO 29 -1.257 1.568 10.632
221 1HB PRO 29 1HB PRO 29 -3.653 1.112 9.343
222 2HB PRO 29 2HB PRO 29 -2.123 1.338 8.503
223 1HG PRO 29 1HG PRO 29 -3.750 -1.074 9.020
224 2HG PRO 29 2HG PRO 29 -2.627 -0.737 7.690
225 1HD PRO 29 1HD PRO 29 -2.086 -2.351 9.942
226 2HD PRO 29 2HD PRO 29 -0.872 -1.747 8.823
227 H GLY 30 H GLY 30 -2.914 -1.202 11.957
228 1HA GLY 30 1HA GLY 30 -4.229 0.556 13.921
229 2HA GLY 30 2HA GLY 30 -4.110 -1.200 14.027
230 HA PRO 31 HA PRO 31 -8.366 -0.575 12.590
231 1HB PRO 31 1HB PRO 31 -9.420 1.879 13.208
232 2HB PRO 31 2HB PRO 31 -9.196 0.605 14.388
233 1HG PRO 31 1HG PRO 31 -7.765 3.105 14.074
234 2HG PRO 31 2HG PRO 31 -7.830 2.043 15.474
235 1HD PRO 31 1HD PRO 31 -5.680 2.258 13.570
236 2HD PRO 31 2HD PRO 31 -5.805 1.139 14.939
237 H ILE 32 H ILE 32 -8.882 -0.534 10.438
238 HA ILE 32 HA ILE 32 -8.094 1.859 8.857
239 HB ILE 32 HB ILE 32 -9.146 -0.758 7.766
240 1HG1 ILE 32 1HG1 ILE 32 -6.836 -0.605 9.225
241 2HG1 ILE 32 2HG1 ILE 32 -7.097 -1.739 7.906
242 1HG2 ILE 32 1HG2 ILE 32 -9.221 1.223 6.291
243 2HG2 ILE 32 2HG2 ILE 32 -7.493 1.461 6.534
244 3HG2 ILE 32 3HG2 ILE 32 -8.074 0.021 5.702
245 1HD1 ILE 32 1HD1 ILE 32 -6.092 0.994 7.230
246 2HD1 ILE 32 2HD1 ILE 32 -4.960 -0.161 7.933
247 3HD1 ILE 32 3HD1 ILE 32 -5.789 -0.539 6.422
248 H VAL 33 H VAL 33 -9.701 3.350 8.984
249 HA VAL 33 HA VAL 33 -12.525 2.437 8.910
250 HB VAL 33 HB VAL 33 -13.077 4.489 9.932
251 1HG1 VAL 33 1HG1 VAL 33 -10.783 5.498 8.365
252 2HG1 VAL 33 2HG1 VAL 33 -12.274 6.322 8.811
253 3HG1 VAL 33 3HG1 VAL 33 -10.946 6.212 9.962
254 1HG2 VAL 33 1HG2 VAL 33 -11.419 3.000 11.228
255 2HG2 VAL 33 2HG2 VAL 33 -10.202 4.203 10.793
256 3HG2 VAL 33 3HG2 VAL 33 -11.592 4.668 11.781
257 H GLY 34 H GLY 34 -14.025 3.925 7.525
258 1HA GLY 34 1HA GLY 34 -14.552 4.896 5.448
259 2HA GLY 34 2HA GLY 34 -13.460 3.666 4.818
260 H THR 35 H THR 35 -11.893 5.889 6.936
261 HA THR 35 HA THR 35 -11.082 7.582 4.650
262 HB THR 35 HB THR 35 -10.044 8.622 7.065
263 HG1 THR 35 HG1 THR 35 -12.807 8.290 7.332
264 1HG2 THR 35 1HG2 THR 35 -12.336 9.364 5.239
265 2HG2 THR 35 2HG2 THR 35 -11.829 10.383 6.586
266 3HG2 THR 35 3HG2 THR 35 -10.710 10.044 5.266
267 H THR 36 H THR 36 -9.778 5.273 6.948
268 HA THR 36 HA THR 36 -7.063 6.093 6.729
269 HB THR 36 HB THR 36 -6.537 3.818 7.557
270 HG1 THR 36 HG1 THR 36 -9.150 3.478 6.732
271 1HG2 THR 36 1HG2 THR 36 -7.126 5.701 9.001
272 2HG2 THR 36 2HG2 THR 36 -8.840 5.299 8.835
273 3HG2 THR 36 3HG2 THR 36 -7.750 4.183 9.679
274 H ARG 37 H ARG 37 -8.612 3.319 4.976
275 HA ARG 37 HA ARG 37 -6.542 2.495 3.441
276 1HB ARG 37 1HB ARG 37 -9.137 3.227 2.092
277 2HB ARG 37 2HB ARG 37 -7.990 1.995 1.593
278 1HG ARG 37 1HG ARG 37 -9.367 0.588 2.722
279 2HG ARG 37 2HG ARG 37 -8.473 1.168 4.139
280 1HD ARG 37 1HD ARG 37 -11.312 1.604 3.466
281 2HD ARG 37 2HD ARG 37 -10.492 1.965 4.973
282 HE ARG 37 HE ARG 37 -9.862 4.175 4.001
283 1HH1 ARG 37 1HH1 ARG 37 -10.186 5.382 1.961
284 2HH1 ARG 37 2HH1 ARG 37 -11.780 5.314 1.289
285 1HH2 ARG 37 1HH2 ARG 37 -12.819 2.713 3.333
286 2HH2 ARG 37 2HH2 ARG 37 -13.271 3.803 2.065
287 H LYS 38 H LYS 38 -8.029 5.709 3.039
288 HA LYS 38 HA LYS 38 -6.543 6.408 0.666
289 1HB LYS 38 1HB LYS 38 -8.605 7.604 1.703
290 2HB LYS 38 2HB LYS 38 -7.437 8.375 2.777
291 1HG LYS 38 1HG LYS 38 -6.241 8.671 0.317
292 2HG LYS 38 2HG LYS 38 -7.949 8.835 -0.084
293 1HD LYS 38 1HD LYS 38 -7.601 11.009 0.541
294 2HD LYS 38 2HD LYS 38 -7.842 10.356 2.162
295 1HE LYS 38 1HE LYS 38 -5.766 11.067 2.676
296 2HE LYS 38 2HE LYS 38 -5.137 9.864 1.551
297 1HZ LYS 38 1HZ LYS 38 -5.792 11.715 -0.175
298 2HZ LYS 38 2HZ LYS 38 -5.559 12.731 1.166
299 3HZ LYS 38 3HZ LYS 38 -4.293 11.740 0.624
300 H LEU 39 H LEU 39 -6.107 7.116 4.136
301 HA LEU 39 HA LEU 39 -3.570 8.379 3.970
302 1HB LEU 39 1HB LEU 39 -5.297 7.749 6.039
303 2HB LEU 39 2HB LEU 39 -4.016 6.572 6.286
304 HG LEU 39 HG LEU 39 -3.547 9.539 6.026
305 1HD1 LEU 39 1HD1 LEU 39 -4.761 8.949 8.104
306 2HD1 LEU 39 2HD1 LEU 39 -3.539 7.729 8.463
307 3HD1 LEU 39 3HD1 LEU 39 -3.101 9.437 8.456
308 1HD2 LEU 39 1HD2 LEU 39 -1.809 7.127 6.595
309 2HD2 LEU 39 2HD2 LEU 39 -1.594 8.332 5.324
310 3HD2 LEU 39 3HD2 LEU 39 -1.296 8.764 7.010
311 H TYR 40 H TYR 40 -4.194 5.014 4.959
312 HA TYR 40 HA TYR 40 -1.512 4.147 4.736
313 1HB TYR 40 1HB TYR 40 -4.126 2.627 4.550
314 2HB TYR 40 2HB TYR 40 -2.549 1.865 4.760
315 HD1 TYR 40 HD1 TYR 40 -5.305 2.768 6.561
316 HD2 TYR 40 HD2 TYR 40 -1.068 3.401 6.558
317 HE1 TYR 40 HE1 TYR 40 -5.384 3.289 8.985
318 HE2 TYR 40 HE2 TYR 40 -1.131 3.922 8.980
319 HH TYR 40 HH TYR 40 -3.134 4.864 10.599
320 H GLU 41 H GLU 41 -3.840 4.812 2.322
321 HA GLU 41 HA GLU 41 -3.208 3.146 0.157
322 1HB GLU 41 1HB GLU 41 -4.342 4.751 -1.053
323 2HB GLU 41 2HB GLU 41 -4.654 5.458 0.515
324 1HG GLU 41 1HG GLU 41 -2.601 6.840 0.301
325 2HG GLU 41 2HG GLU 41 -2.325 6.100 -1.271
326 H LYS 42 H LYS 42 -1.346 5.807 1.565
327 HA LYS 42 HA LYS 42 0.753 5.258 -0.488
328 1HB LYS 42 1HB LYS 42 -0.262 7.612 0.058
329 2HB LYS 42 2HB LYS 42 0.838 7.566 1.427
330 1HG LYS 42 1HG LYS 42 2.095 8.585 -0.324
331 2HG LYS 42 2HG LYS 42 2.648 6.908 -0.311
332 1HD LYS 42 1HD LYS 42 0.377 6.884 -1.941
333 2HD LYS 42 2HD LYS 42 1.223 8.364 -2.398
334 1HE LYS 42 1HE LYS 42 2.843 7.194 -3.454
335 2HE LYS 42 2HE LYS 42 3.075 6.142 -2.056
336 1HZ LYS 42 1HZ LYS 42 1.027 4.960 -2.760
337 2HZ LYS 42 2HZ LYS 42 1.037 5.865 -4.194
338 3HZ LYS 42 3HZ LYS 42 2.316 4.803 -3.856
339 H LYS 43 H LYS 43 0.303 5.660 3.023
340 HA LYS 43 HA LYS 43 2.839 5.329 4.029
341 1HB LYS 43 1HB LYS 43 0.200 4.858 4.994
342 2HB LYS 43 2HB LYS 43 1.207 3.488 5.481
343 1HG LYS 43 1HG LYS 43 2.038 6.375 5.877
344 2HG LYS 43 2HG LYS 43 1.174 5.450 7.102
345 1HD LYS 43 1HD LYS 43 3.023 3.683 6.834
346 2HD LYS 43 2HD LYS 43 3.923 4.926 5.964
347 1HE LYS 43 1HE LYS 43 2.749 5.426 8.705
348 2HE LYS 43 2HE LYS 43 4.360 4.743 8.492
349 1HZ LYS 43 1HZ LYS 43 4.257 6.884 6.781
350 2HZ LYS 43 2HZ LYS 43 3.492 7.437 8.191
351 3HZ LYS 43 3HZ LYS 43 5.072 6.816 8.270
352 H LEU 44 H LEU 44 0.804 2.691 2.731
353 HA LEU 44 HA LEU 44 2.984 0.785 3.227
354 1HB LEU 44 1HB LEU 44 1.270 -0.599 3.475
355 2HB LEU 44 2HB LEU 44 0.144 0.672 3.007
356 HG LEU 44 HG LEU 44 0.779 0.081 0.602
357 1HD1 LEU 44 1HD1 LEU 44 -0.704 -1.887 2.355
358 2HD1 LEU 44 2HD1 LEU 44 -1.382 -0.422 1.647
359 3HD1 LEU 44 3HD1 LEU 44 -0.883 -1.756 0.604
360 1HD2 LEU 44 1HD2 LEU 44 2.356 -1.822 2.158
361 2HD2 LEU 44 2HD2 LEU 44 1.237 -2.673 1.080
362 3HD2 LEU 44 3HD2 LEU 44 2.398 -1.520 0.410
363 H LEU 45 H LEU 45 1.615 2.672 0.658
364 HA LEU 45 HA LEU 45 2.755 1.117 -1.493
365 1HB LEU 45 1HB LEU 45 1.325 3.670 -1.208
366 2HB LEU 45 2HB LEU 45 2.480 3.618 -2.523
367 HG LEU 45 HG LEU 45 1.454 1.570 -3.372
368 1HD1 LEU 45 1HD1 LEU 45 -0.334 1.926 -0.996
369 2HD1 LEU 45 2HD1 LEU 45 -0.631 0.786 -2.308
370 3HD1 LEU 45 3HD1 LEU 45 0.790 0.606 -1.284
371 1HD2 LEU 45 1HD2 LEU 45 -0.462 3.830 -2.812
372 2HD2 LEU 45 2HD2 LEU 45 0.538 3.612 -4.249
373 3HD2 LEU 45 3HD2 LEU 45 -0.799 2.508 -3.937
374 H LYS 46 H LYS 46 4.144 3.137 0.861
375 HA LYS 46 HA LYS 46 6.313 4.073 -0.888
376 1HB LYS 46 1HB LYS 46 5.371 5.054 1.458
377 2HB LYS 46 2HB LYS 46 6.673 4.038 2.076
378 1HG LYS 46 1HG LYS 46 6.949 6.195 -0.041
379 2HG LYS 46 2HG LYS 46 7.507 6.306 1.629
380 1HD LYS 46 1HD LYS 46 8.641 3.935 0.771
381 2HD LYS 46 2HD LYS 46 8.739 4.952 -0.668
382 1HE LYS 46 1HE LYS 46 9.807 5.582 2.097
383 2HE LYS 46 2HE LYS 46 10.745 5.329 0.625
384 1HZ LYS 46 1HZ LYS 46 9.239 7.273 -0.225
385 2HZ LYS 46 2HZ LYS 46 9.126 7.635 1.432
386 3HZ LYS 46 3HZ LYS 46 10.644 7.590 0.670
387 H LEU 47 H LEU 47 5.800 1.667 1.652
388 HA LEU 47 HA LEU 47 8.431 0.470 1.474
389 1HB LEU 47 1HB LEU 47 5.770 -0.692 2.360
390 2HB LEU 47 2HB LEU 47 7.341 -1.425 2.662
391 HG LEU 47 HG LEU 47 6.897 1.400 3.542
392 1HD1 LEU 47 1HD1 LEU 47 8.855 -0.655 3.864
393 2HD1 LEU 47 2HD1 LEU 47 8.880 0.980 4.525
394 3HD1 LEU 47 3HD1 LEU 47 8.150 -0.335 5.448
395 1HD2 LEU 47 1HD2 LEU 47 5.246 -0.821 4.353
396 2HD2 LEU 47 2HD2 LEU 47 6.249 -0.314 5.713
397 3HD2 LEU 47 3HD2 LEU 47 5.193 0.851 4.915
398 H ARG 48 H ARG 48 5.711 0.556 -0.538
399 HA ARG 48 HA ARG 48 6.432 -1.979 -1.932
400 1HB ARG 48 1HB ARG 48 4.163 -2.047 -1.288
401 2HB ARG 48 2HB ARG 48 3.915 -0.345 -1.650
402 1HG ARG 48 1HG ARG 48 4.733 -1.594 -4.066
403 2HG ARG 48 2HG ARG 48 3.490 -2.610 -3.345
404 1HD ARG 48 1HD ARG 48 3.047 0.352 -3.341
405 2HD ARG 48 2HD ARG 48 2.851 -0.500 -4.863
406 HE ARG 48 HE ARG 48 0.790 -0.394 -3.140
407 1HH1 ARG 48 1HH1 ARG 48 2.181 -2.594 -1.549
408 2HH1 ARG 48 2HH1 ARG 48 1.424 -4.008 -2.204
409 1HH2 ARG 48 1HH2 ARG 48 0.150 -2.364 -4.976
410 2HH2 ARG 48 2HH2 ARG 48 0.278 -3.878 -4.148
411 H GLU 49 H GLU 49 4.759 0.897 -3.107
412 HA GLU 49 HA GLU 49 4.993 1.585 -5.458
413 1HB GLU 49 1HB GLU 49 6.606 2.983 -3.377
414 2HB GLU 49 2HB GLU 49 6.862 3.461 -5.054
415 1HG GLU 49 1HG GLU 49 4.063 3.187 -3.986
416 2HG GLU 49 2HG GLU 49 4.988 4.653 -3.660
417 H GLN 50 H GLN 50 6.105 -0.657 -6.004
418 HA GLN 50 HA GLN 50 8.846 -1.030 -6.256
419 1HB GLN 50 1HB GLN 50 7.394 -2.779 -7.000
420 2HB GLN 50 2HB GLN 50 6.582 -1.718 -8.148
421 1HG GLN 50 1HG GLN 50 9.264 -1.617 -8.941
422 2HG GLN 50 2HG GLN 50 9.016 -3.302 -8.492
423 2HE2 GLN 50 2HE2 GLN 50 9.411 -2.837 -11.181
424 1HE2 GLN 50 1HE2 GLN 50 7.953 -2.983 -12.037
425 H GLY 51 H GLY 51 10.462 -0.110 -7.491
426 1HA GLY 51 1HA GLY 51 9.912 1.382 -9.923
427 2HA GLY 51 2HA GLY 51 11.480 1.250 -9.125
428 H THR 52 H THR 52 8.374 2.962 -9.040
429 HA THR 52 HA THR 52 7.792 4.996 -7.996
430 HB THR 52 HB THR 52 10.519 5.070 -6.706
431 HG1 THR 52 HG1 THR 52 9.081 3.975 -4.978
432 1HG2 THR 52 1HG2 THR 52 8.767 6.963 -6.589
433 2HG2 THR 52 2HG2 THR 52 7.845 5.866 -5.560
434 3HG2 THR 52 3HG2 THR 52 9.453 6.396 -5.067
435 H GLU 53 H GLU 53 9.766 4.487 -10.402
436 HA GLU 53 HA GLU 53 10.889 5.829 -11.959
437 1HB GLU 53 1HB GLU 53 8.567 6.987 -11.616
438 2HB GLU 53 2HB GLU 53 9.504 8.213 -10.761
439 1HG GLU 53 1HG GLU 53 10.174 9.092 -12.720
440 2HG GLU 53 2HG GLU 53 10.872 7.542 -13.190
441 H SER 54 H SER 54 13.061 5.950 -11.424
442 HA SER 54 HA SER 54 13.824 7.931 -9.315
443 1HB SER 54 1HB SER 54 14.486 5.433 -9.076
444 2HB SER 54 2HB SER 54 15.640 5.760 -10.370
445 HG SER 54 HG SER 54 16.416 6.068 -8.163
446 H ARG 55 H ARG 55 13.268 8.234 -12.312
447 HA ARG 55 HA ARG 55 15.817 8.830 -13.549
448 1HB ARG 55 1HB ARG 55 13.043 8.821 -14.309
449 2HB ARG 55 2HB ARG 55 13.762 10.363 -14.775
450 1HG ARG 55 1HG ARG 55 14.055 8.724 -16.577
451 2HG ARG 55 2HG ARG 55 15.621 9.137 -15.880
452 1HD ARG 55 1HD ARG 55 15.474 6.712 -16.165
453 2HD ARG 55 2HD ARG 55 15.485 7.106 -14.441
454 HE ARG 55 HE ARG 55 12.746 6.984 -15.303
455 1HH1 ARG 55 1HH1 ARG 55 15.447 4.875 -15.488
456 2HH1 ARG 55 2HH1 ARG 55 14.592 3.495 -14.884
457 1HH2 ARG 55 1HH2 ARG 55 11.670 5.252 -14.249
458 2HH2 ARG 55 2HH2 ARG 55 12.454 3.708 -14.183
459 H SER 56 H SER 56 13.240 10.886 -12.154
460 HA SER 56 HA SER 56 15.122 12.745 -11.030
461 1HB SER 56 1HB SER 56 15.609 13.767 -13.034
462 2HB SER 56 2HB SER 56 14.088 13.272 -13.776
463 HG SER 56 HG SER 56 13.521 15.246 -13.369
464 H SER 57 H SER 57 11.991 13.298 -12.670
465 HA SER 57 HA SER 57 10.897 14.138 -10.025
466 1HB SER 57 1HB SER 57 9.110 15.233 -11.392
467 2HB SER 57 2HB SER 57 10.723 15.838 -11.766
468 HG SER 57 HG SER 57 9.568 13.697 -13.191
No H/Q in entry = 468
Start of MODEL 7
1 H1 ARG 1 H1 ARG 1 2.810 -3.182 -18.095
2 H2 ARG 1 H2 ARG 1 2.768 -2.673 -16.475
3 H3 ARG 1 H3 ARG 1 2.403 -1.578 -17.723
4 HA ARG 1 HA ARG 1 4.645 -1.619 -18.520
5 1HB ARG 1 1HB ARG 1 4.676 -1.356 -15.502
6 2HB ARG 1 2HB ARG 1 5.726 -0.533 -16.654
7 1HG ARG 1 1HG ARG 1 2.753 -0.134 -16.246
8 2HG ARG 1 2HG ARG 1 4.040 1.053 -16.029
9 1HD ARG 1 1HD ARG 1 3.373 -0.258 -18.689
10 2HD ARG 1 2HD ARG 1 2.767 1.326 -18.194
11 HE ARG 1 HE ARG 1 5.613 1.359 -17.908
12 1HH1 ARG 1 1HH1 ARG 1 5.268 3.572 -19.277
13 2HH1 ARG 1 2HH1 ARG 1 5.293 3.224 -20.974
14 1HH2 ARG 1 1HH2 ARG 1 4.732 -0.171 -20.558
15 2HH2 ARG 1 2HH2 ARG 1 4.989 1.106 -21.699
16 H GLN 2 H GLN 2 6.745 -2.127 -16.459
17 HA GLN 2 HA GLN 2 6.886 -5.103 -16.745
18 1HB GLN 2 1HB GLN 2 8.921 -2.952 -17.205
19 2HB GLN 2 2HB GLN 2 9.470 -4.523 -16.622
20 1HG GLN 2 1HG GLN 2 7.806 -4.026 -19.112
21 2HG GLN 2 2HG GLN 2 9.511 -4.473 -19.078
22 2HE2 GLN 2 2HE2 GLN 2 9.598 -6.505 -17.188
23 1HE2 GLN 2 1HE2 GLN 2 8.609 -7.799 -17.663
24 H GLU 3 H GLU 3 6.659 -2.575 -14.559
25 HA GLU 3 HA GLU 3 6.948 -4.245 -12.271
26 1HB GLU 3 1HB GLU 3 9.076 -3.672 -11.390
27 2HB GLU 3 2HB GLU 3 9.406 -3.983 -13.095
28 1HG GLU 3 1HG GLU 3 9.135 -1.505 -13.510
29 2HG GLU 3 2HG GLU 3 9.064 -1.284 -11.761
30 H ASP 4 H ASP 4 5.531 -3.263 -10.932
31 HA ASP 4 HA ASP 4 5.783 -0.369 -10.411
32 1HB ASP 4 1HB ASP 4 3.121 -0.364 -10.682
33 2HB ASP 4 2HB ASP 4 4.184 -0.028 -12.049
34 H LYS 5 H LYS 5 3.347 -2.926 -9.858
35 HA LYS 5 HA LYS 5 2.746 -3.991 -7.843
36 1HB LYS 5 1HB LYS 5 5.191 -3.538 -7.157
37 2HB LYS 5 2HB LYS 5 4.569 -2.110 -6.335
38 1HG LYS 5 1HG LYS 5 4.469 -3.707 -4.634
39 2HG LYS 5 2HG LYS 5 2.841 -3.805 -5.301
40 1HD LYS 5 1HD LYS 5 3.844 -6.056 -4.999
41 2HD LYS 5 2HD LYS 5 3.505 -5.715 -6.696
42 1HE LYS 5 1HE LYS 5 5.755 -5.455 -7.233
43 2HE LYS 5 2HE LYS 5 6.202 -5.014 -5.585
44 1HZ LYS 5 1HZ LYS 5 5.123 -7.694 -6.061
45 2HZ LYS 5 2HZ LYS 5 6.721 -7.380 -6.543
46 3HZ LYS 5 3HZ LYS 5 6.272 -7.175 -4.921
47 H ASP 6 H ASP 6 3.397 -0.516 -7.119
48 HA ASP 6 HA ASP 6 1.010 -0.174 -5.604
49 1HB ASP 6 1HB ASP 6 1.300 2.321 -6.611
50 2HB ASP 6 2HB ASP 6 2.252 1.713 -5.255
51 H ASP 7 H ASP 7 1.384 -0.716 -8.926
52 HA ASP 7 HA ASP 7 -0.528 0.727 -10.259
53 1HB ASP 7 1HB ASP 7 -1.043 -1.362 -11.551
54 2HB ASP 7 2HB ASP 7 0.685 -1.060 -11.368
55 H LEU 8 H LEU 8 -1.096 -1.713 -7.777
56 HA LEU 8 HA LEU 8 -3.918 -2.033 -8.182
57 1HB LEU 8 1HB LEU 8 -2.615 -3.565 -6.749
58 2HB LEU 8 2HB LEU 8 -2.313 -2.251 -5.613
59 HG LEU 8 HG LEU 8 -5.159 -2.640 -6.284
60 1HD1 LEU 8 1HD1 LEU 8 -3.468 -4.867 -5.287
61 2HD1 LEU 8 2HD1 LEU 8 -4.978 -4.593 -4.419
62 3HD1 LEU 8 3HD1 LEU 8 -5.004 -4.923 -6.151
63 1HD2 LEU 8 1HD2 LEU 8 -3.826 -1.281 -4.380
64 2HD2 LEU 8 2HD2 LEU 8 -5.474 -1.872 -4.150
65 3HD2 LEU 8 3HD2 LEU 8 -4.109 -2.789 -3.510
66 H ASP 9 H ASP 9 -5.667 -1.003 -7.068
67 HA ASP 9 HA ASP 9 -5.289 1.829 -6.609
68 1HB ASP 9 1HB ASP 9 -7.583 -0.087 -6.271
69 2HB ASP 9 2HB ASP 9 -7.707 1.564 -5.672
70 H VAL 10 H VAL 10 -3.672 1.792 -4.914
71 HA VAL 10 HA VAL 10 -3.997 0.445 -2.429
72 HB VAL 10 HB VAL 10 -1.913 1.530 -3.426
73 1HG1 VAL 10 1HG1 VAL 10 -3.141 3.756 -3.697
74 2HG1 VAL 10 2HG1 VAL 10 -2.855 3.970 -1.976
75 3HG1 VAL 10 3HG1 VAL 10 -1.497 3.809 -3.073
76 1HG2 VAL 10 1HG2 VAL 10 -2.756 1.218 -0.688
77 2HG2 VAL 10 2HG2 VAL 10 -1.207 0.833 -1.431
78 3HG2 VAL 10 3HG2 VAL 10 -1.513 2.459 -0.851
79 H THR 11 H THR 11 -5.765 3.017 -3.706
80 HA THR 11 HA THR 11 -6.400 4.056 -0.981
81 HB THR 11 HB THR 11 -5.986 5.974 -2.192
82 HG1 THR 11 HG1 THR 11 -8.249 5.826 -1.503
83 1HG2 THR 11 1HG2 THR 11 -7.102 4.500 -4.584
84 2HG2 THR 11 2HG2 THR 11 -6.729 6.221 -4.611
85 3HG2 THR 11 3HG2 THR 11 -5.445 5.050 -4.325
86 H GLU 12 H GLU 12 -8.121 3.074 -3.995
87 HA GLU 12 HA GLU 12 -10.692 3.044 -2.679
88 1HB GLU 12 1HB GLU 12 -11.560 2.274 -4.701
89 2HB GLU 12 2HB GLU 12 -10.094 3.083 -5.245
90 1HG GLU 12 1HG GLU 12 -9.545 1.136 -6.247
91 2HG GLU 12 2HG GLU 12 -9.241 0.495 -4.632
92 H LEU 13 H LEU 13 -8.060 0.830 -2.887
93 HA LEU 13 HA LEU 13 -8.994 -1.692 -2.545
94 1HB LEU 13 1HB LEU 13 -7.010 -2.203 -1.421
95 2HB LEU 13 2HB LEU 13 -6.604 -0.678 -2.202
96 HG LEU 13 HG LEU 13 -7.484 -1.083 0.639
97 1HD1 LEU 13 1HD1 LEU 13 -5.041 -1.515 -0.269
98 2HD1 LEU 13 2HD1 LEU 13 -4.949 0.247 -0.291
99 3HD1 LEU 13 3HD1 LEU 13 -5.254 -0.601 1.223
100 1HD2 LEU 13 1HD2 LEU 13 -8.413 1.021 -0.353
101 2HD2 LEU 13 2HD2 LEU 13 -7.267 1.311 0.949
102 3HD2 LEU 13 3HD2 LEU 13 -6.765 1.520 -0.722
103 H THR 14 H THR 14 -9.524 -3.050 -0.668
104 HA THR 14 HA THR 14 -11.471 -1.601 1.031
105 HB THR 14 HB THR 14 -12.053 -4.092 1.637
106 HG1 THR 14 HG1 THR 14 -11.493 -5.349 -0.316
107 1HG2 THR 14 1HG2 THR 14 -12.513 -2.750 -1.037
108 2HG2 THR 14 2HG2 THR 14 -13.350 -4.226 -0.551
109 3HG2 THR 14 3HG2 THR 14 -13.577 -2.740 0.373
110 H ASN 15 H ASN 15 -11.735 -2.478 3.327
111 HA ASN 15 HA ASN 15 -9.246 -2.093 4.751
112 1HB ASN 15 1HB ASN 15 -12.038 -2.776 5.657
113 2HB ASN 15 2HB ASN 15 -10.693 -2.532 6.773
114 2HD2 ASN 15 2HD2 ASN 15 -12.583 -0.703 7.213
115 1HD2 ASN 15 1HD2 ASN 15 -12.239 0.793 6.487
116 H GLU 16 H GLU 16 -11.526 -4.868 4.898
117 HA GLU 16 HA GLU 16 -9.650 -6.543 6.266
118 1HB GLU 16 1HB GLU 16 -12.045 -7.024 6.299
119 2HB GLU 16 2HB GLU 16 -12.040 -7.301 4.561
120 1HG GLU 16 1HG GLU 16 -10.523 -9.200 4.839
121 2HG GLU 16 2HG GLU 16 -10.423 -8.894 6.573
122 H ASP 17 H ASP 17 -9.953 -5.757 2.890
123 HA ASP 17 HA ASP 17 -8.270 -8.107 2.189
124 1HB ASP 17 1HB ASP 17 -10.238 -6.495 0.763
125 2HB ASP 17 2HB ASP 17 -8.752 -6.702 -0.163
126 H LEU 18 H LEU 18 -7.877 -4.742 2.837
127 HA LEU 18 HA LEU 18 -5.378 -4.748 1.217
128 1HB LEU 18 1HB LEU 18 -5.268 -2.465 1.387
129 2HB LEU 18 2HB LEU 18 -7.008 -2.717 1.344
130 HG LEU 18 HG LEU 18 -6.777 -2.772 3.945
131 1HD1 LEU 18 1HD1 LEU 18 -4.115 -2.306 3.161
132 2HD1 LEU 18 2HD1 LEU 18 -4.699 -0.795 3.860
133 3HD1 LEU 18 3HD1 LEU 18 -4.764 -2.288 4.801
134 1HD2 LEU 18 1HD2 LEU 18 -7.840 -0.973 2.430
135 2HD2 LEU 18 2HD2 LEU 18 -7.324 -0.465 4.032
136 3HD2 LEU 18 3HD2 LEU 18 -6.327 -0.096 2.632
137 H LEU 19 H LEU 19 -6.524 -5.345 4.349
138 HA LEU 19 HA LEU 19 -4.379 -4.510 5.948
139 1HB LEU 19 1HB LEU 19 -6.315 -6.794 6.042
140 2HB LEU 19 2HB LEU 19 -4.895 -6.915 7.070
141 HG LEU 19 HG LEU 19 -7.117 -4.898 7.142
142 1HD1 LEU 19 1HD1 LEU 19 -7.068 -7.031 8.533
143 2HD1 LEU 19 2HD1 LEU 19 -5.618 -6.400 9.330
144 3HD1 LEU 19 3HD1 LEU 19 -7.162 -5.549 9.488
145 1HD2 LEU 19 1HD2 LEU 19 -4.263 -4.568 8.125
146 2HD2 LEU 19 2HD2 LEU 19 -5.276 -3.403 7.242
147 3HD2 LEU 19 3HD2 LEU 19 -5.610 -3.762 8.935
148 H ASP 20 H ASP 20 -4.737 -7.721 4.309
149 HA ASP 20 HA ASP 20 -2.158 -8.656 4.917
150 1HB ASP 20 1HB ASP 20 -3.735 -10.059 3.672
151 2HB ASP 20 2HB ASP 20 -3.687 -8.950 2.302
152 H GLN 21 H GLN 21 -3.188 -6.206 2.681
153 HA GLN 21 HA GLN 21 -0.724 -5.888 1.267
154 1HB GLN 21 1HB GLN 21 -3.336 -4.781 1.268
155 2HB GLN 21 2HB GLN 21 -2.238 -3.424 1.412
156 1HG GLN 21 1HG GLN 21 -1.786 -5.610 -0.613
157 2HG GLN 21 2HG GLN 21 -2.851 -4.256 -0.952
158 2HE2 GLN 21 2HE2 GLN 21 -1.756 -2.628 -2.073
159 1HE2 GLN 21 1HE2 GLN 21 -0.125 -2.216 -1.840
160 H LEU 22 H LEU 22 -1.998 -4.295 4.193
161 HA LEU 22 HA LEU 22 0.509 -2.754 4.453
162 1HB LEU 22 1HB LEU 22 -2.197 -2.686 5.691
163 2HB LEU 22 2HB LEU 22 -0.860 -2.281 6.761
164 HG LEU 22 HG LEU 22 -0.252 -0.884 4.483
165 1HD1 LEU 22 1HD1 LEU 22 -2.527 -1.514 3.618
166 2HD1 LEU 22 2HD1 LEU 22 -3.229 -0.668 4.999
167 3HD1 LEU 22 3HD1 LEU 22 -2.307 0.226 3.783
168 1HD2 LEU 22 1HD2 LEU 22 -0.664 -0.340 7.128
169 2HD2 LEU 22 2HD2 LEU 22 -0.352 0.895 5.916
170 3HD2 LEU 22 3HD2 LEU 22 -2.005 0.528 6.395
171 H VAL 23 H VAL 23 -1.425 -4.940 6.429
172 HA VAL 23 HA VAL 23 0.351 -5.383 8.491
173 HB VAL 23 HB VAL 23 -1.190 -7.786 7.754
174 1HG1 VAL 23 1HG1 VAL 23 -2.510 -5.201 7.446
175 2HG1 VAL 23 2HG1 VAL 23 -3.087 -6.822 7.094
176 3HG1 VAL 23 3HG1 VAL 23 -3.233 -6.176 8.711
177 1HG2 VAL 23 1HG2 VAL 23 -0.399 -6.306 10.066
178 2HG2 VAL 23 2HG2 VAL 23 -2.166 -6.457 10.068
179 3HG2 VAL 23 3HG2 VAL 23 -1.146 -7.904 10.001
180 H LYS 24 H LYS 24 0.878 -6.385 5.197
181 HA LYS 24 HA LYS 24 2.673 -8.450 6.370
182 1HB LYS 24 1HB LYS 24 2.632 -9.703 4.364
183 2HB LYS 24 2HB LYS 24 0.973 -9.136 4.545
184 1HG LYS 24 1HG LYS 24 1.165 -8.283 2.474
185 2HG LYS 24 2HG LYS 24 2.221 -7.063 3.165
186 1HD LYS 24 1HD LYS 24 2.965 -9.681 1.809
187 2HD LYS 24 2HD LYS 24 3.407 -8.057 1.310
188 1HE LYS 24 1HE LYS 24 4.918 -7.824 3.220
189 2HE LYS 24 2HE LYS 24 4.396 -9.392 3.849
190 1HZ LYS 24 1HZ LYS 24 5.103 -10.055 1.381
191 2HZ LYS 24 2HZ LYS 24 6.186 -8.776 1.662
192 3HZ LYS 24 3HZ LYS 24 6.158 -10.115 2.707
193 H TYR 25 H TYR 25 2.758 -5.653 4.187
194 HA TYR 25 HA TYR 25 5.529 -6.029 3.521
195 1HB TYR 25 1HB TYR 25 3.679 -3.644 3.454
196 2HB TYR 25 2HB TYR 25 5.414 -3.425 3.225
197 HD1 TYR 25 HD1 TYR 25 2.392 -5.109 1.891
198 HD2 TYR 25 HD2 TYR 25 6.536 -4.177 1.248
199 HE1 TYR 25 HE1 TYR 25 2.209 -5.902 -0.459
200 HE2 TYR 25 HE2 TYR 25 6.354 -4.965 -1.097
201 HH TYR 25 HH TYR 25 3.666 -5.267 -2.728
202 H GLY 26 H GLY 26 4.079 -5.561 6.488
203 1HA GLY 26 1HA GLY 26 6.607 -4.430 7.567
204 2HA GLY 26 2HA GLY 26 5.489 -5.467 8.467
205 H VAL 27 H VAL 27 3.128 -4.129 7.354
206 HA VAL 27 HA VAL 27 3.419 -1.457 8.710
207 HB VAL 27 HB VAL 27 1.312 -2.122 6.640
208 1HG1 VAL 27 1HG1 VAL 27 2.454 0.445 7.781
209 2HG1 VAL 27 2HG1 VAL 27 1.270 0.365 6.479
210 3HG1 VAL 27 3HG1 VAL 27 0.849 -0.217 8.094
211 1HG2 VAL 27 1HG2 VAL 27 4.063 -1.964 6.154
212 2HG2 VAL 27 2HG2 VAL 27 2.779 -1.775 4.948
213 3HG2 VAL 27 3HG2 VAL 27 3.455 -0.359 5.760
214 H ASN 28 H ASN 28 2.291 -1.225 10.551
215 HA ASN 28 HA ASN 28 -0.069 -3.020 10.949
216 1HB ASN 28 1HB ASN 28 1.615 -3.626 12.543
217 2HB ASN 28 2HB ASN 28 1.942 -1.936 12.931
218 2HD2 ASN 28 2HD2 ASN 28 -1.336 -3.265 12.498
219 1HD2 ASN 28 1HD2 ASN 28 -1.812 -3.064 14.115
220 HA PRO 29 HA PRO 29 -1.665 1.259 10.923
221 1HB PRO 29 1HB PRO 29 -3.935 0.554 9.484
222 2HB PRO 29 2HB PRO 29 -2.431 1.135 8.764
223 1HG PRO 29 1HG PRO 29 -3.594 -1.588 8.812
224 2HG PRO 29 2HG PRO 29 -2.394 -0.874 7.713
225 1HD PRO 29 1HD PRO 29 -1.837 -2.651 9.860
226 2HD PRO 29 2HD PRO 29 -0.657 -1.759 8.899
227 H GLY 30 H GLY 30 -3.653 -1.723 11.322
228 1HA GLY 30 1HA GLY 30 -4.593 -0.621 13.902
229 2HA GLY 30 2HA GLY 30 -4.792 -2.283 13.363
230 HA PRO 31 HA PRO 31 -8.808 -0.171 12.639
231 1HB PRO 31 1HB PRO 31 -8.981 2.498 13.232
232 2HB PRO 31 2HB PRO 31 -9.097 1.219 14.441
233 1HG PRO 31 1HG PRO 31 -6.895 3.129 13.882
234 2HG PRO 31 2HG PRO 31 -7.252 2.241 15.371
235 1HD PRO 31 1HD PRO 31 -5.273 1.616 13.411
236 2HD PRO 31 2HD PRO 31 -5.730 0.602 14.788
237 H ILE 32 H ILE 32 -8.613 -0.435 10.352
238 HA ILE 32 HA ILE 32 -7.714 1.885 8.753
239 HB ILE 32 HB ILE 32 -8.924 -0.731 7.809
240 1HG1 ILE 32 1HG1 ILE 32 -6.498 -0.509 9.109
241 2HG1 ILE 32 2HG1 ILE 32 -6.886 -1.744 7.919
242 1HG2 ILE 32 1HG2 ILE 32 -7.770 1.695 6.521
243 2HG2 ILE 32 2HG2 ILE 32 -7.488 0.139 5.746
244 3HG2 ILE 32 3HG2 ILE 32 -9.134 0.700 6.023
245 1HD1 ILE 32 1HD1 ILE 32 -5.833 0.912 6.986
246 2HD1 ILE 32 2HD1 ILE 32 -4.714 -0.303 7.612
247 3HD1 ILE 32 3HD1 ILE 32 -5.723 -0.668 6.208
248 H VAL 33 H VAL 33 -9.730 2.771 10.185
249 HA VAL 33 HA VAL 33 -12.390 2.355 9.446
250 HB VAL 33 HB VAL 33 -12.536 4.975 9.819
251 1HG1 VAL 33 1HG1 VAL 33 -12.603 2.704 11.463
252 2HG1 VAL 33 2HG1 VAL 33 -11.561 3.844 12.314
253 3HG1 VAL 33 3HG1 VAL 33 -13.202 4.312 11.870
254 1HG2 VAL 33 1HG2 VAL 33 -9.833 4.822 9.601
255 2HG2 VAL 33 2HG2 VAL 33 -10.654 6.051 10.562
256 3HG2 VAL 33 3HG2 VAL 33 -10.013 4.607 11.342
257 H GLY 34 H GLY 34 -13.680 4.130 8.083
258 1HA GLY 34 1HA GLY 34 -14.176 4.796 5.884
259 2HA GLY 34 2HA GLY 34 -12.802 3.828 5.357
260 H THR 35 H THR 35 -11.794 5.932 7.745
261 HA THR 35 HA THR 35 -11.157 8.107 5.826
262 HB THR 35 HB THR 35 -10.296 8.962 8.302
263 HG1 THR 35 HG1 THR 35 -12.668 7.432 8.579
264 1HG2 THR 35 1HG2 THR 35 -12.991 9.266 6.953
265 2HG2 THR 35 2HG2 THR 35 -12.445 10.263 8.301
266 3HG2 THR 35 3HG2 THR 35 -11.585 10.315 6.762
267 H THR 36 H THR 36 -9.770 5.325 6.860
268 HA THR 36 HA THR 36 -7.063 6.523 7.083
269 HB THR 36 HB THR 36 -6.511 4.046 7.699
270 HG1 THR 36 HG1 THR 36 -8.572 3.265 7.083
271 1HG2 THR 36 1HG2 THR 36 -8.174 5.907 9.408
272 2HG2 THR 36 2HG2 THR 36 -7.212 4.561 10.038
273 3HG2 THR 36 3HG2 THR 36 -6.417 5.929 9.238
274 H ARG 37 H ARG 37 -8.630 3.790 5.321
275 HA ARG 37 HA ARG 37 -6.656 2.899 3.728
276 1HB ARG 37 1HB ARG 37 -9.272 3.822 2.541
277 2HB ARG 37 2HB ARG 37 -8.168 2.666 1.821
278 1HG ARG 37 1HG ARG 37 -9.493 1.132 2.846
279 2HG ARG 37 2HG ARG 37 -8.486 1.504 4.251
280 1HD ARG 37 1HD ARG 37 -11.352 1.963 3.938
281 2HD ARG 37 2HD ARG 37 -10.373 2.274 5.361
282 HE ARG 37 HE ARG 37 -9.965 4.554 4.513
283 1HH1 ARG 37 1HH1 ARG 37 -12.858 2.963 3.710
284 2HH1 ARG 37 2HH1 ARG 37 -13.381 4.156 2.570
285 1HH2 ARG 37 1HH2 ARG 37 -10.422 5.953 2.673
286 2HH2 ARG 37 2HH2 ARG 37 -12.008 5.845 1.986
287 H LYS 38 H LYS 38 -8.134 6.126 3.168
288 HA LYS 38 HA LYS 38 -6.575 6.804 0.885
289 1HB LYS 38 1HB LYS 38 -8.352 8.289 1.443
290 2HB LYS 38 2HB LYS 38 -7.799 8.448 3.110
291 1HG LYS 38 1HG LYS 38 -6.266 10.042 2.577
292 2HG LYS 38 2HG LYS 38 -5.809 9.236 1.077
293 1HD LYS 38 1HD LYS 38 -8.408 10.054 0.574
294 2HD LYS 38 2HD LYS 38 -7.752 11.388 1.522
295 1HE LYS 38 1HE LYS 38 -6.187 11.936 -0.079
296 2HE LYS 38 2HE LYS 38 -6.022 10.271 -0.637
297 1HZ LYS 38 1HZ LYS 38 -8.513 10.707 -1.343
298 2HZ LYS 38 2HZ LYS 38 -7.964 12.310 -1.409
299 3HZ LYS 38 3HZ LYS 38 -7.208 11.116 -2.352
300 H LEU 39 H LEU 39 -6.026 7.501 4.333
301 HA LEU 39 HA LEU 39 -3.439 8.598 4.174
302 1HB LEU 39 1HB LEU 39 -5.136 8.035 6.230
303 2HB LEU 39 2HB LEU 39 -4.009 6.699 6.403
304 HG LEU 39 HG LEU 39 -3.228 9.613 6.331
305 1HD1 LEU 39 1HD1 LEU 39 -4.419 8.893 8.408
306 2HD1 LEU 39 2HD1 LEU 39 -3.228 7.608 8.611
307 3HD1 LEU 39 3HD1 LEU 39 -2.728 9.297 8.711
308 1HD2 LEU 39 1HD2 LEU 39 -1.715 7.007 6.563
309 2HD2 LEU 39 2HD2 LEU 39 -1.417 8.334 5.440
310 3HD2 LEU 39 3HD2 LEU 39 -1.027 8.521 7.151
311 H TYR 40 H TYR 40 -4.202 5.209 4.980
312 HA TYR 40 HA TYR 40 -1.524 4.288 4.687
313 1HB TYR 40 1HB TYR 40 -4.203 2.888 4.676
314 2HB TYR 40 2HB TYR 40 -2.675 2.018 4.627
315 HD1 TYR 40 HD1 TYR 40 -0.859 3.048 6.370
316 HD2 TYR 40 HD2 TYR 40 -5.131 3.180 6.783
317 HE1 TYR 40 HE1 TYR 40 -0.614 3.306 8.823
318 HE2 TYR 40 HE2 TYR 40 -4.891 3.466 9.236
319 HH TYR 40 HH TYR 40 -1.752 3.978 10.723
320 H GLU 41 H GLU 41 -3.733 5.244 2.351
321 HA GLU 41 HA GLU 41 -3.216 3.426 0.197
322 1HB GLU 41 1HB GLU 41 -4.613 4.872 -0.923
323 2HB GLU 41 2HB GLU 41 -4.774 5.699 0.617
324 1HG GLU 41 1HG GLU 41 -2.779 7.097 0.051
325 2HG GLU 41 2HG GLU 41 -2.725 6.279 -1.507
326 H LYS 42 H LYS 42 -1.423 5.987 1.689
327 HA LYS 42 HA LYS 42 0.608 5.841 -0.488
328 1HB LYS 42 1HB LYS 42 -0.580 8.032 0.248
329 2HB LYS 42 2HB LYS 42 0.465 7.952 1.653
330 1HG LYS 42 1HG LYS 42 1.639 9.283 0.053
331 2HG LYS 42 2HG LYS 42 2.405 7.695 -0.022
332 1HD LYS 42 1HD LYS 42 0.342 7.387 -1.799
333 2HD LYS 42 2HD LYS 42 0.738 9.089 -2.029
334 1HE LYS 42 1HE LYS 42 2.449 8.430 -3.338
335 2HE LYS 42 2HE LYS 42 3.219 7.785 -1.889
336 1HZ LYS 42 1HZ LYS 42 1.448 5.855 -2.481
337 2HZ LYS 42 2HZ LYS 42 1.867 6.398 -4.035
338 3HZ LYS 42 3HZ LYS 42 3.072 5.855 -2.969
339 H LYS 43 H LYS 43 0.227 5.841 3.046
340 HA LYS 43 HA LYS 43 2.865 5.577 3.878
341 1HB LYS 43 1HB LYS 43 0.294 4.560 4.922
342 2HB LYS 43 2HB LYS 43 1.764 3.813 5.561
343 1HG LYS 43 1HG LYS 43 1.473 6.809 5.379
344 2HG LYS 43 2HG LYS 43 0.846 5.922 6.754
345 1HD LYS 43 1HD LYS 43 3.174 4.853 6.931
346 2HD LYS 43 2HD LYS 43 3.709 6.123 5.830
347 1HE LYS 43 1HE LYS 43 4.063 7.249 7.799
348 2HE LYS 43 2HE LYS 43 2.353 7.633 7.607
349 1HZ LYS 43 1HZ LYS 43 2.623 5.108 8.825
350 2HZ LYS 43 2HZ LYS 43 3.557 6.238 9.684
351 3HZ LYS 43 3HZ LYS 43 1.897 6.510 9.442
352 H LEU 44 H LEU 44 0.724 2.961 2.764
353 HA LEU 44 HA LEU 44 2.903 1.053 3.034
354 1HB LEU 44 1HB LEU 44 1.163 -0.264 3.455
355 2HB LEU 44 2HB LEU 44 0.057 1.032 3.020
356 HG LEU 44 HG LEU 44 0.636 0.320 0.579
357 1HD1 LEU 44 1HD1 LEU 44 -1.116 -1.287 2.431
358 2HD1 LEU 44 2HD1 LEU 44 -1.553 0.234 1.652
359 3HD1 LEU 44 3HD1 LEU 44 -1.287 -1.213 0.678
360 1HD2 LEU 44 1HD2 LEU 44 1.987 -1.662 2.207
361 2HD2 LEU 44 2HD2 LEU 44 0.702 -2.446 1.278
362 3HD2 LEU 44 3HD2 LEU 44 1.957 -1.532 0.443
363 H LEU 45 H LEU 45 1.746 3.185 0.630
364 HA LEU 45 HA LEU 45 2.385 1.593 -1.700
365 1HB LEU 45 1HB LEU 45 1.072 3.891 -1.443
366 2HB LEU 45 2HB LEU 45 2.663 4.571 -1.751
367 HG LEU 45 HG LEU 45 1.707 2.371 -3.535
368 1HD1 LEU 45 1HD1 LEU 45 3.918 3.944 -3.514
369 2HD1 LEU 45 2HD1 LEU 45 3.253 3.238 -4.983
370 3HD1 LEU 45 3HD1 LEU 45 2.866 4.900 -4.553
371 1HD2 LEU 45 1HD2 LEU 45 0.136 4.684 -3.041
372 2HD2 LEU 45 2HD2 LEU 45 0.900 4.906 -4.616
373 3HD2 LEU 45 3HD2 LEU 45 -0.089 3.478 -4.308
374 H LYS 46 H LYS 46 4.219 3.782 0.414
375 HA LYS 46 HA LYS 46 6.630 3.724 -1.222
376 1HB LYS 46 1HB LYS 46 6.145 4.411 1.689
377 2HB LYS 46 2HB LYS 46 7.724 4.540 0.915
378 1HG LYS 46 1HG LYS 46 7.148 6.567 0.126
379 2HG LYS 46 2HG LYS 46 5.842 5.821 -0.795
380 1HD LYS 46 1HD LYS 46 4.305 6.709 0.589
381 2HD LYS 46 2HD LYS 46 5.098 5.985 1.988
382 1HE LYS 46 1HE LYS 46 5.024 8.448 2.188
383 2HE LYS 46 2HE LYS 46 6.688 7.874 2.064
384 1HZ LYS 46 1HZ LYS 46 6.151 8.224 -0.491
385 2HZ LYS 46 2HZ LYS 46 5.094 9.389 0.151
386 3HZ LYS 46 3HZ LYS 46 6.758 9.469 0.487
387 H LEU 47 H LEU 47 5.047 1.422 0.572
388 HA LEU 47 HA LEU 47 7.508 -0.110 1.272
389 1HB LEU 47 1HB LEU 47 4.947 0.292 2.497
390 2HB LEU 47 2HB LEU 47 5.057 -1.388 2.010
391 HG LEU 47 HG LEU 47 6.982 -1.756 3.256
392 1HD1 LEU 47 1HD1 LEU 47 7.213 1.204 3.150
393 2HD1 LEU 47 2HD1 LEU 47 7.844 0.409 4.591
394 3HD1 LEU 47 3HD1 LEU 47 8.469 -0.022 3.000
395 1HD2 LEU 47 1HD2 LEU 47 4.910 -0.059 4.635
396 2HD2 LEU 47 2HD2 LEU 47 5.193 -1.797 4.768
397 3HD2 LEU 47 3HD2 LEU 47 6.295 -0.666 5.550
398 H ARG 48 H ARG 48 4.718 0.033 -0.663
399 HA ARG 48 HA ARG 48 5.226 -2.622 -1.896
400 1HB ARG 48 1HB ARG 48 3.040 -2.801 -1.240
401 2HB ARG 48 2HB ARG 48 2.820 -1.065 -1.148
402 1HG ARG 48 1HG ARG 48 2.992 -2.441 -3.814
403 2HG ARG 48 2HG ARG 48 1.480 -2.389 -2.915
404 1HD ARG 48 1HD ARG 48 2.737 0.220 -2.903
405 2HD ARG 48 2HD ARG 48 2.521 -0.341 -4.556
406 HE ARG 48 HE ARG 48 0.433 0.738 -3.104
407 1HH1 ARG 48 1HH1 ARG 48 1.129 -2.034 -4.992
408 2HH1 ARG 48 2HH1 ARG 48 -0.488 -2.650 -4.962
409 1HH2 ARG 48 1HH2 ARG 48 -1.676 -0.212 -2.817
410 2HH2 ARG 48 2HH2 ARG 48 -2.068 -1.622 -3.737
411 H GLU 49 H GLU 49 6.542 0.036 -2.455
412 HA GLU 49 HA GLU 49 5.637 0.615 -5.204
413 1HB GLU 49 1HB GLU 49 7.364 1.973 -3.195
414 2HB GLU 49 2HB GLU 49 7.802 2.201 -4.887
415 1HG GLU 49 1HG GLU 49 4.924 2.497 -4.123
416 2HG GLU 49 2HG GLU 49 6.036 3.799 -3.704
417 H GLN 50 H GLN 50 6.264 -1.643 -5.716
418 HA GLN 50 HA GLN 50 8.671 -2.907 -5.707
419 1HB GLN 50 1HB GLN 50 6.986 -3.960 -6.966
420 2HB GLN 50 2HB GLN 50 6.707 -2.534 -7.962
421 1HG GLN 50 1HG GLN 50 7.914 -4.248 -9.248
422 2HG GLN 50 2HG GLN 50 8.945 -2.842 -8.995
423 2HE2 GLN 50 2HE2 GLN 50 8.418 -4.828 -6.180
424 1HE2 GLN 50 1HE2 GLN 50 9.925 -5.604 -6.195
425 H GLY 51 H GLY 51 10.662 -2.794 -6.828
426 1HA GLY 51 1HA GLY 51 11.169 -0.694 -8.786
427 2HA GLY 51 2HA GLY 51 12.368 -1.809 -8.130
428 H THR 52 H THR 52 10.741 1.260 -7.659
429 HA THR 52 HA THR 52 11.543 3.171 -6.524
430 HB THR 52 HB THR 52 11.688 1.052 -4.356
431 HG1 THR 52 HG1 THR 52 9.662 2.931 -4.491
432 1HG2 THR 52 1HG2 THR 52 12.235 3.946 -4.376
433 2HG2 THR 52 2HG2 THR 52 11.083 3.439 -3.141
434 3HG2 THR 52 3HG2 THR 52 12.694 2.722 -3.193
435 H GLU 53 H GLU 53 13.600 1.437 -7.882
436 HA GLU 53 HA GLU 53 15.942 2.662 -6.591
437 1HB GLU 53 1HB GLU 53 15.900 0.550 -5.417
438 2HB GLU 53 2HB GLU 53 15.586 -0.333 -6.911
439 1HG GLU 53 1HG GLU 53 17.911 1.181 -7.384
440 2HG GLU 53 2HG GLU 53 18.118 0.478 -5.780
441 H SER 54 H SER 54 15.788 -0.078 -8.849
442 HA SER 54 HA SER 54 16.446 -0.232 -11.097
443 1HB SER 54 1HB SER 54 14.823 2.040 -10.902
444 2HB SER 54 2HB SER 54 16.251 2.591 -11.778
445 HG SER 54 HG SER 54 15.825 0.378 -12.891
446 H ARG 55 H ARG 55 18.571 -0.172 -9.453
447 HA ARG 55 HA ARG 55 20.542 1.377 -11.016
448 1HB ARG 55 1HB ARG 55 19.615 2.454 -8.654
449 2HB ARG 55 2HB ARG 55 21.045 1.570 -8.124
450 1HG ARG 55 1HG ARG 55 21.811 3.754 -8.739
451 2HG ARG 55 2HG ARG 55 22.287 2.683 -10.058
452 1HD ARG 55 1HD ARG 55 21.258 4.806 -10.876
453 2HD ARG 55 2HD ARG 55 20.347 3.374 -11.373
454 HE ARG 55 HE ARG 55 19.234 4.279 -8.893
455 1HH1 ARG 55 1HH1 ARG 55 17.943 6.224 -8.828
456 2HH1 ARG 55 2HH1 ARG 55 17.252 6.773 -10.318
457 1HH2 ARG 55 1HH2 ARG 55 19.082 4.578 -12.282
458 2HH2 ARG 55 2HH2 ARG 55 17.897 5.840 -12.274
459 H SER 56 H SER 56 22.767 0.608 -10.586
460 HA SER 56 HA SER 56 24.245 -1.218 -10.463
461 1HB SER 56 1HB SER 56 22.774 -1.176 -7.844
462 2HB SER 56 2HB SER 56 23.919 -2.476 -8.175
463 HG SER 56 HG SER 56 25.541 -1.081 -8.211
464 H SER 57 H SER 57 21.894 -2.998 -8.572
465 HA SER 57 HA SER 57 20.640 -4.396 -10.748
466 1HB SER 57 1HB SER 57 21.835 -6.476 -10.735
467 2HB SER 57 2HB SER 57 23.049 -5.210 -10.922
468 HG SER 57 HG SER 57 23.836 -6.413 -9.312
No H/Q in entry = 468
Start of MODEL 8
1 H1 ARG 1 H1 ARG 1 2.958 -0.785 -20.639
2 H2 ARG 1 H2 ARG 1 1.559 0.172 -20.748
3 H3 ARG 1 H3 ARG 1 3.085 0.875 -20.978
4 HA ARG 1 HA ARG 1 3.663 0.689 -18.730
5 1HB ARG 1 1HB ARG 1 0.879 1.261 -18.063
6 2HB ARG 1 2HB ARG 1 2.279 2.329 -18.014
7 1HG ARG 1 1HG ARG 1 2.032 2.381 -20.613
8 2HG ARG 1 2HG ARG 1 0.400 1.783 -20.306
9 1HD ARG 1 1HD ARG 1 0.194 4.167 -20.352
10 2HD ARG 1 2HD ARG 1 0.170 3.731 -18.639
11 HE ARG 1 HE ARG 1 2.891 4.232 -19.365
12 1HH1 ARG 1 1HH1 ARG 1 0.299 5.566 -17.760
13 2HH1 ARG 1 2HH1 ARG 1 0.783 7.218 -17.951
14 1HH2 ARG 1 1HH2 ARG 1 3.333 6.488 -20.186
15 2HH2 ARG 1 2HH2 ARG 1 2.501 7.740 -19.325
16 H GLN 2 H GLN 2 4.084 -1.326 -17.848
17 HA GLN 2 HA GLN 2 1.801 -2.639 -16.485
18 1HB GLN 2 1HB GLN 2 3.750 -4.400 -17.941
19 2HB GLN 2 2HB GLN 2 2.088 -4.737 -17.461
20 1HG GLN 2 1HG GLN 2 1.862 -4.423 -19.768
21 2HG GLN 2 2HG GLN 2 1.503 -2.811 -19.150
22 2HE2 GLN 2 2HE2 GLN 2 2.562 -3.275 -21.809
23 1HE2 GLN 2 1HE2 GLN 2 4.113 -2.588 -21.875
24 H GLU 3 H GLU 3 3.318 -4.916 -15.661
25 HA GLU 3 HA GLU 3 4.568 -5.401 -13.714
26 1HB GLU 3 1HB GLU 3 7.037 -4.556 -14.108
27 2HB GLU 3 2HB GLU 3 6.349 -5.777 -15.180
28 1HG GLU 3 1HG GLU 3 5.711 -3.979 -16.779
29 2HG GLU 3 2HG GLU 3 6.466 -2.791 -15.714
30 H ASP 4 H ASP 4 3.594 -4.168 -12.070
31 HA ASP 4 HA ASP 4 5.211 -1.902 -11.119
32 1HB ASP 4 1HB ASP 4 2.273 -1.360 -11.205
33 2HB ASP 4 2HB ASP 4 3.626 -0.230 -11.276
34 H LYS 5 H LYS 5 4.167 -1.132 -8.922
35 HA LYS 5 HA LYS 5 3.075 -3.553 -7.555
36 1HB LYS 5 1HB LYS 5 5.516 -2.686 -7.037
37 2HB LYS 5 2HB LYS 5 4.669 -1.477 -6.079
38 1HG LYS 5 1HG LYS 5 5.040 -3.211 -4.532
39 2HG LYS 5 2HG LYS 5 3.385 -3.511 -5.062
40 1HD LYS 5 1HD LYS 5 4.800 -5.578 -5.042
41 2HD LYS 5 2HD LYS 5 4.155 -5.204 -6.640
42 1HE LYS 5 1HE LYS 5 6.220 -4.578 -7.476
43 2HE LYS 5 2HE LYS 5 6.819 -4.063 -5.899
44 1HZ LYS 5 1HZ LYS 5 6.318 -6.750 -5.644
45 2HZ LYS 5 2HZ LYS 5 7.048 -6.597 -7.170
46 3HZ LYS 5 3HZ LYS 5 7.841 -6.013 -5.790
47 H ASP 6 H ASP 6 3.393 -0.001 -6.979
48 HA ASP 6 HA ASP 6 1.095 0.233 -5.331
49 1HB ASP 6 1HB ASP 6 0.994 2.617 -6.573
50 2HB ASP 6 2HB ASP 6 2.191 2.257 -5.330
51 H ASP 7 H ASP 7 1.320 -0.501 -8.661
52 HA ASP 7 HA ASP 7 -0.796 0.495 -10.010
53 1HB ASP 7 1HB ASP 7 0.519 -2.105 -9.960
54 2HB ASP 7 2HB ASP 7 -1.174 -2.233 -10.443
55 H LEU 8 H LEU 8 -1.277 -2.312 -7.779
56 HA LEU 8 HA LEU 8 -4.060 -2.451 -7.943
57 1HB LEU 8 1HB LEU 8 -2.804 -4.027 -6.546
58 2HB LEU 8 2HB LEU 8 -2.390 -2.736 -5.421
59 HG LEU 8 HG LEU 8 -5.279 -3.137 -6.031
60 1HD1 LEU 8 1HD1 LEU 8 -3.620 -5.289 -5.162
61 2HD1 LEU 8 2HD1 LEU 8 -4.603 -4.776 -3.791
62 3HD1 LEU 8 3HD1 LEU 8 -5.378 -5.261 -5.300
63 1HD2 LEU 8 1HD2 LEU 8 -3.624 -2.354 -3.636
64 2HD2 LEU 8 2HD2 LEU 8 -4.790 -1.374 -4.525
65 3HD2 LEU 8 3HD2 LEU 8 -5.349 -2.704 -3.509
66 H ASP 9 H ASP 9 -5.668 -1.026 -7.502
67 HA ASP 9 HA ASP 9 -5.262 1.654 -6.797
68 1HB ASP 9 1HB ASP 9 -7.608 -0.192 -6.627
69 2HB ASP 9 2HB ASP 9 -7.731 1.399 -5.885
70 H VAL 10 H VAL 10 -3.783 1.724 -5.049
71 HA VAL 10 HA VAL 10 -4.214 0.408 -2.542
72 HB VAL 10 HB VAL 10 -2.801 2.677 -1.832
73 1HG1 VAL 10 1HG1 VAL 10 -2.890 3.209 -4.382
74 2HG1 VAL 10 2HG1 VAL 10 -1.363 3.360 -3.536
75 3HG1 VAL 10 3HG1 VAL 10 -1.677 1.931 -4.515
76 1HG2 VAL 10 1HG2 VAL 10 -2.423 -0.015 -1.840
77 2HG2 VAL 10 2HG2 VAL 10 -1.210 0.488 -3.018
78 3HG2 VAL 10 3HG2 VAL 10 -1.175 1.148 -1.380
79 H THR 11 H THR 11 -6.005 2.893 -3.932
80 HA THR 11 HA THR 11 -6.730 3.972 -1.248
81 HB THR 11 HB THR 11 -6.333 5.880 -2.457
82 HG1 THR 11 HG1 THR 11 -8.423 6.167 -1.934
83 1HG2 THR 11 1HG2 THR 11 -7.234 4.315 -4.877
84 2HG2 THR 11 2HG2 THR 11 -6.950 6.053 -4.926
85 3HG2 THR 11 3HG2 THR 11 -5.626 4.959 -4.530
86 H GLU 12 H GLU 12 -8.362 2.931 -4.299
87 HA GLU 12 HA GLU 12 -10.957 2.894 -3.062
88 1HB GLU 12 1HB GLU 12 -11.730 2.114 -5.097
89 2HB GLU 12 2HB GLU 12 -10.184 2.776 -5.621
90 1HG GLU 12 1HG GLU 12 -9.316 0.347 -4.982
91 2HG GLU 12 2HG GLU 12 -10.999 -0.074 -5.256
92 H LEU 13 H LEU 13 -8.296 0.670 -3.207
93 HA LEU 13 HA LEU 13 -9.197 -1.829 -2.732
94 1HB LEU 13 1HB LEU 13 -7.207 -2.274 -1.602
95 2HB LEU 13 2HB LEU 13 -6.813 -0.742 -2.373
96 HG LEU 13 HG LEU 13 -7.848 -1.067 0.442
97 1HD1 LEU 13 1HD1 LEU 13 -5.477 -1.876 -0.042
98 2HD1 LEU 13 2HD1 LEU 13 -5.092 -0.222 -0.521
99 3HD1 LEU 13 3HD1 LEU 13 -5.577 -0.567 1.139
100 1HD2 LEU 13 1HD2 LEU 13 -6.970 1.345 -1.158
101 2HD2 LEU 13 2HD2 LEU 13 -8.528 1.084 -0.388
102 3HD2 LEU 13 3HD2 LEU 13 -7.095 1.360 0.595
103 H THR 14 H THR 14 -10.018 -3.073 -0.983
104 HA THR 14 HA THR 14 -11.923 -1.551 0.623
105 HB THR 14 HB THR 14 -12.854 -3.662 1.248
106 HG1 THR 14 HG1 THR 14 -11.669 -5.384 1.458
107 1HG2 THR 14 1HG2 THR 14 -12.001 -3.213 -1.525
108 2HG2 THR 14 2HG2 THR 14 -12.379 -4.899 -1.169
109 3HG2 THR 14 3HG2 THR 14 -13.590 -3.647 -0.892
110 H ASN 15 H ASN 15 -12.148 -2.470 3.041
111 HA ASN 15 HA ASN 15 -9.662 -1.667 4.361
112 1HB ASN 15 1HB ASN 15 -12.297 -2.527 5.574
113 2HB ASN 15 2HB ASN 15 -10.969 -1.733 6.422
114 2HD2 ASN 15 2HD2 ASN 15 -12.119 0.236 6.898
115 1HD2 ASN 15 1HD2 ASN 15 -12.624 1.312 5.686
116 H GLU 16 H GLU 16 -11.684 -4.619 4.283
117 HA GLU 16 HA GLU 16 -9.835 -6.079 5.995
118 1HB GLU 16 1HB GLU 16 -12.326 -6.568 5.693
119 2HB GLU 16 2HB GLU 16 -11.899 -7.284 4.140
120 1HG GLU 16 1HG GLU 16 -10.325 -8.810 5.293
121 2HG GLU 16 2HG GLU 16 -10.803 -8.118 6.843
122 H ASP 17 H ASP 17 -10.146 -5.517 2.572
123 HA ASP 17 HA ASP 17 -8.394 -7.760 1.870
124 1HB ASP 17 1HB ASP 17 -9.371 -5.482 0.126
125 2HB ASP 17 2HB ASP 17 -8.627 -6.981 -0.428
126 H LEU 18 H LEU 18 -7.906 -4.439 2.796
127 HA LEU 18 HA LEU 18 -5.234 -4.493 1.502
128 1HB LEU 18 1HB LEU 18 -5.034 -2.207 1.862
129 2HB LEU 18 2HB LEU 18 -6.735 -2.426 1.452
130 HG LEU 18 HG LEU 18 -7.089 -2.602 4.015
131 1HD1 LEU 18 1HD1 LEU 18 -4.281 -2.104 3.861
132 2HD1 LEU 18 2HD1 LEU 18 -5.050 -0.697 4.592
133 3HD1 LEU 18 3HD1 LEU 18 -5.273 -2.295 5.306
134 1HD2 LEU 18 1HD2 LEU 18 -7.854 -0.749 2.516
135 2HD2 LEU 18 2HD2 LEU 18 -7.400 -0.182 4.124
136 3HD2 LEU 18 3HD2 LEU 18 -6.299 0.043 2.767
137 H LEU 19 H LEU 19 -6.673 -5.222 4.466
138 HA LEU 19 HA LEU 19 -4.546 -4.465 6.229
139 1HB LEU 19 1HB LEU 19 -6.675 -6.611 6.331
140 2HB LEU 19 2HB LEU 19 -5.406 -6.572 7.547
141 HG LEU 19 HG LEU 19 -7.628 -4.623 7.061
142 1HD1 LEU 19 1HD1 LEU 19 -6.305 -5.980 9.429
143 2HD1 LEU 19 2HD1 LEU 19 -7.543 -4.731 9.614
144 3HD1 LEU 19 3HD1 LEU 19 -7.938 -6.251 8.808
145 1HD2 LEU 19 1HD2 LEU 19 -4.860 -3.973 8.035
146 2HD2 LEU 19 2HD2 LEU 19 -5.965 -2.991 7.064
147 3HD2 LEU 19 3HD2 LEU 19 -6.238 -3.189 8.796
148 H ASP 20 H ASP 20 -5.046 -7.106 3.985
149 HA ASP 20 HA ASP 20 -2.773 -8.674 4.954
150 1HB ASP 20 1HB ASP 20 -4.945 -9.217 3.326
151 2HB ASP 20 2HB ASP 20 -3.617 -9.109 2.169
152 H GLN 21 H GLN 21 -3.200 -5.874 3.164
153 HA GLN 21 HA GLN 21 -0.779 -6.099 1.520
154 1HB GLN 21 1HB GLN 21 -3.265 -4.731 1.437
155 2HB GLN 21 2HB GLN 21 -2.049 -3.480 1.581
156 1HG GLN 21 1HG GLN 21 -1.747 -5.710 -0.410
157 2HG GLN 21 2HG GLN 21 -2.755 -4.323 -0.764
158 2HE2 GLN 21 2HE2 GLN 21 -1.509 -2.959 -2.130
159 1HE2 GLN 21 1HE2 GLN 21 0.103 -2.525 -1.819
160 H LEU 22 H LEU 22 -1.940 -4.453 4.412
161 HA LEU 22 HA LEU 22 0.594 -2.937 4.604
162 1HB LEU 22 1HB LEU 22 -2.086 -2.814 5.909
163 2HB LEU 22 2HB LEU 22 -0.706 -2.329 6.887
164 HG LEU 22 HG LEU 22 -0.197 -1.076 4.499
165 1HD1 LEU 22 1HD1 LEU 22 -2.472 -1.731 3.698
166 2HD1 LEU 22 2HD1 LEU 22 -3.164 -0.875 5.077
167 3HD1 LEU 22 3HD1 LEU 22 -2.290 0.018 3.831
168 1HD2 LEU 22 1HD2 LEU 22 -0.505 -0.345 7.102
169 2HD2 LEU 22 2HD2 LEU 22 -0.257 0.797 5.792
170 3HD2 LEU 22 3HD2 LEU 22 -1.887 0.459 6.371
171 H VAL 23 H VAL 23 -1.171 -5.554 6.156
172 HA VAL 23 HA VAL 23 0.686 -5.779 8.361
173 HB VAL 23 HB VAL 23 -1.384 -7.741 7.326
174 1HG1 VAL 23 1HG1 VAL 23 0.574 -7.812 9.544
175 2HG1 VAL 23 2HG1 VAL 23 -1.073 -8.259 9.985
176 3HG1 VAL 23 3HG1 VAL 23 -0.231 -9.141 8.710
177 1HG2 VAL 23 1HG2 VAL 23 -1.986 -5.333 8.266
178 2HG2 VAL 23 2HG2 VAL 23 -2.933 -6.741 8.750
179 3HG2 VAL 23 3HG2 VAL 23 -1.680 -6.105 9.820
180 H LYS 24 H LYS 24 1.406 -6.336 5.226
181 HA LYS 24 HA LYS 24 3.072 -8.656 6.075
182 1HB LYS 24 1HB LYS 24 3.109 -9.286 3.580
183 2HB LYS 24 2HB LYS 24 1.600 -9.584 4.450
184 1HG LYS 24 1HG LYS 24 0.701 -7.489 3.665
185 2HG LYS 24 2HG LYS 24 2.203 -7.079 2.898
186 1HD LYS 24 1HD LYS 24 0.729 -9.590 2.151
187 2HD LYS 24 2HD LYS 24 0.418 -8.051 1.347
188 1HE LYS 24 1HE LYS 24 2.835 -7.882 0.774
189 2HE LYS 24 2HE LYS 24 3.108 -9.448 1.541
190 1HZ LYS 24 1HZ LYS 24 0.962 -9.645 -0.274
191 2HZ LYS 24 2HZ LYS 24 2.293 -8.956 -1.067
192 3HZ LYS 24 3HZ LYS 24 2.451 -10.461 -0.296
193 H TYR 25 H TYR 25 3.021 -5.986 3.686
194 HA TYR 25 HA TYR 25 5.743 -6.025 3.017
195 1HB TYR 25 1HB TYR 25 3.726 -3.829 3.380
196 2HB TYR 25 2HB TYR 25 5.424 -3.398 3.189
197 HD1 TYR 25 HD1 TYR 25 2.433 -4.595 1.534
198 HD2 TYR 25 HD2 TYR 25 6.687 -4.183 1.178
199 HE1 TYR 25 HE1 TYR 25 2.261 -5.013 -0.910
200 HE2 TYR 25 HE2 TYR 25 6.526 -4.588 -1.269
201 HH TYR 25 HH TYR 25 4.083 -5.978 -2.741
202 H GLY 26 H GLY 26 4.156 -5.464 6.021
203 1HA GLY 26 1HA GLY 26 6.750 -4.757 7.282
204 2HA GLY 26 2HA GLY 26 5.506 -5.784 8.029
205 H VAL 27 H VAL 27 3.293 -4.236 7.081
206 HA VAL 27 HA VAL 27 3.713 -1.667 8.596
207 HB VAL 27 HB VAL 27 1.690 -2.178 6.390
208 1HG1 VAL 27 1HG1 VAL 27 1.038 -0.473 8.058
209 2HG1 VAL 27 2HG1 VAL 27 2.563 0.372 7.771
210 3HG1 VAL 27 3HG1 VAL 27 1.371 0.248 6.475
211 1HG2 VAL 27 1HG2 VAL 27 4.437 -1.851 6.100
212 2HG2 VAL 27 2HG2 VAL 27 3.221 -1.520 4.855
213 3HG2 VAL 27 3HG2 VAL 27 3.802 -0.217 5.896
214 H ASN 28 H ASN 28 2.270 -1.152 10.227
215 HA ASN 28 HA ASN 28 -0.070 -2.972 10.573
216 1HB ASN 28 1HB ASN 28 1.622 -3.810 12.083
217 2HB ASN 28 2HB ASN 28 1.945 -2.184 12.692
218 2HD2 ASN 28 2HD2 ASN 28 1.231 -3.979 14.655
219 1HD2 ASN 28 1HD2 ASN 28 -0.383 -3.763 15.145
220 HA PRO 29 HA PRO 29 -1.487 1.322 10.907
221 1HB PRO 29 1HB PRO 29 -3.871 0.774 9.590
222 2HB PRO 29 2HB PRO 29 -2.382 1.286 8.796
223 1HG PRO 29 1HG PRO 29 -3.690 -1.363 8.843
224 2HG PRO 29 2HG PRO 29 -2.497 -0.688 7.703
225 1HD PRO 29 1HD PRO 29 -1.971 -2.540 9.818
226 2HD PRO 29 2HD PRO 29 -0.784 -1.755 8.780
227 H GLY 30 H GLY 30 -3.692 -1.524 11.318
228 1HA GLY 30 1HA GLY 30 -4.410 -0.399 13.970
229 2HA GLY 30 2HA GLY 30 -4.684 -2.060 13.463
230 HA PRO 31 HA PRO 31 -8.647 0.243 12.890
231 1HB PRO 31 1HB PRO 31 -8.634 2.951 13.299
232 2HB PRO 31 2HB PRO 31 -8.736 1.768 14.602
233 1HG PRO 31 1HG PRO 31 -6.479 3.506 13.769
234 2HG PRO 31 2HG PRO 31 -6.777 2.736 15.336
235 1HD PRO 31 1HD PRO 31 -4.979 1.875 13.287
236 2HD PRO 31 2HD PRO 31 -5.380 0.987 14.767
237 H ILE 32 H ILE 32 -8.647 -0.173 10.618
238 HA ILE 32 HA ILE 32 -7.761 2.027 8.835
239 HB ILE 32 HB ILE 32 -8.934 -0.670 8.116
240 1HG1 ILE 32 1HG1 ILE 32 -6.490 -0.312 9.308
241 2HG1 ILE 32 2HG1 ILE 32 -6.862 -1.598 8.173
242 1HG2 ILE 32 1HG2 ILE 32 -7.939 1.700 6.620
243 2HG2 ILE 32 2HG2 ILE 32 -7.599 0.106 5.945
244 3HG2 ILE 32 3HG2 ILE 32 -9.264 0.603 6.242
245 1HD1 ILE 32 1HD1 ILE 32 -5.932 1.048 7.113
246 2HD1 ILE 32 2HD1 ILE 32 -4.752 -0.094 7.762
247 3HD1 ILE 32 3HD1 ILE 32 -5.778 -0.561 6.400
248 H VAL 33 H VAL 33 -9.836 2.869 10.330
249 HA VAL 33 HA VAL 33 -12.470 2.373 9.561
250 HB VAL 33 HB VAL 33 -12.694 4.998 9.884
251 1HG1 VAL 33 1HG1 VAL 33 -12.740 2.754 11.562
252 2HG1 VAL 33 2HG1 VAL 33 -11.733 3.926 12.413
253 3HG1 VAL 33 3HG1 VAL 33 -13.376 4.355 11.938
254 1HG2 VAL 33 1HG2 VAL 33 -9.982 4.906 9.721
255 2HG2 VAL 33 2HG2 VAL 33 -10.854 6.135 10.636
256 3HG2 VAL 33 3HG2 VAL 33 -10.195 4.726 11.464
257 H GLY 34 H GLY 34 -13.791 4.085 8.143
258 1HA GLY 34 1HA GLY 34 -14.268 4.711 5.928
259 2HA GLY 34 2HA GLY 34 -12.880 3.743 5.439
260 H THR 35 H THR 35 -11.879 5.921 7.760
261 HA THR 35 HA THR 35 -11.298 8.051 5.776
262 HB THR 35 HB THR 35 -10.397 8.841 8.328
263 HG1 THR 35 HG1 THR 35 -11.615 7.706 9.593
264 1HG2 THR 35 1HG2 THR 35 -12.905 9.475 6.754
265 2HG2 THR 35 2HG2 THR 35 -12.361 10.394 8.157
266 3HG2 THR 35 3HG2 THR 35 -11.371 10.344 6.697
267 H THR 36 H THR 36 -9.821 5.315 6.849
268 HA THR 36 HA THR 36 -7.143 6.608 6.934
269 HB THR 36 HB THR 36 -6.487 4.209 7.716
270 HG1 THR 36 HG1 THR 36 -8.619 3.673 8.977
271 1HG2 THR 36 1HG2 THR 36 -8.140 6.161 9.328
272 2HG2 THR 36 2HG2 THR 36 -7.164 4.867 10.039
273 3HG2 THR 36 3HG2 THR 36 -6.384 6.171 9.130
274 H ARG 37 H ARG 37 -8.706 3.728 5.412
275 HA ARG 37 HA ARG 37 -6.778 2.709 3.849
276 1HB ARG 37 1HB ARG 37 -9.377 3.631 2.618
277 2HB ARG 37 2HB ARG 37 -8.293 2.432 1.940
278 1HG ARG 37 1HG ARG 37 -9.655 0.966 3.009
279 2HG ARG 37 2HG ARG 37 -8.628 1.352 4.395
280 1HD ARG 37 1HD ARG 37 -11.483 1.855 4.114
281 2HD ARG 37 2HD ARG 37 -10.472 2.216 5.504
282 HE ARG 37 HE ARG 37 -10.054 4.449 4.559
283 1HH1 ARG 37 1HH1 ARG 37 -10.514 5.799 2.693
284 2HH1 ARG 37 2HH1 ARG 37 -12.102 5.678 2.011
285 1HH2 ARG 37 1HH2 ARG 37 -12.967 2.851 3.813
286 2HH2 ARG 37 2HH2 ARG 37 -13.482 4.015 2.642
287 H LYS 38 H LYS 38 -8.226 5.898 3.068
288 HA LYS 38 HA LYS 38 -6.639 6.424 0.765
289 1HB LYS 38 1HB LYS 38 -8.013 8.137 2.817
290 2HB LYS 38 2HB LYS 38 -6.928 8.893 1.650
291 1HG LYS 38 1HG LYS 38 -8.312 7.408 -0.071
292 2HG LYS 38 2HG LYS 38 -9.539 7.499 1.193
293 1HD LYS 38 1HD LYS 38 -9.495 9.922 1.142
294 2HD LYS 38 2HD LYS 38 -8.121 9.917 0.037
295 1HE LYS 38 1HE LYS 38 -10.280 8.302 -1.022
296 2HE LYS 38 2HE LYS 38 -10.850 9.930 -0.658
297 1HZ LYS 38 1HZ LYS 38 -8.919 10.790 -1.896
298 2HZ LYS 38 2HZ LYS 38 -8.511 9.201 -2.334
299 3HZ LYS 38 3HZ LYS 38 -9.972 9.883 -2.868
300 H LEU 39 H LEU 39 -6.133 7.424 4.150
301 HA LEU 39 HA LEU 39 -3.563 8.529 3.935
302 1HB LEU 39 1HB LEU 39 -5.248 8.141 6.013
303 2HB LEU 39 2HB LEU 39 -4.160 6.789 6.293
304 HG LEU 39 HG LEU 39 -3.337 9.683 6.060
305 1HD1 LEU 39 1HD1 LEU 39 -4.454 9.093 8.193
306 2HD1 LEU 39 2HD1 LEU 39 -3.334 7.745 8.397
307 3HD1 LEU 39 3HD1 LEU 39 -2.735 9.403 8.441
308 1HD2 LEU 39 1HD2 LEU 39 -1.837 7.076 6.259
309 2HD2 LEU 39 2HD2 LEU 39 -1.517 8.444 5.192
310 3HD2 LEU 39 3HD2 LEU 39 -1.129 8.555 6.911
311 H TYR 40 H TYR 40 -4.246 5.193 5.008
312 HA TYR 40 HA TYR 40 -1.533 4.342 4.794
313 1HB TYR 40 1HB TYR 40 -4.175 2.875 4.875
314 2HB TYR 40 2HB TYR 40 -2.636 2.024 4.827
315 HD1 TYR 40 HD1 TYR 40 -5.071 3.291 6.962
316 HD2 TYR 40 HD2 TYR 40 -0.805 3.070 6.531
317 HE1 TYR 40 HE1 TYR 40 -4.810 3.676 9.396
318 HE2 TYR 40 HE2 TYR 40 -0.540 3.423 8.967
319 HH TYR 40 HH TYR 40 -1.569 3.766 10.900
320 H GLU 41 H GLU 41 -3.830 5.011 2.404
321 HA GLU 41 HA GLU 41 -3.202 3.099 0.412
322 1HB GLU 41 1HB GLU 41 -4.601 4.370 -0.886
323 2HB GLU 41 2HB GLU 41 -4.888 5.273 0.594
324 1HG GLU 41 1HG GLU 41 -3.043 6.802 0.002
325 2HG GLU 41 2HG GLU 41 -2.795 5.873 -1.467
326 H LYS 42 H LYS 42 -1.404 5.711 1.757
327 HA LYS 42 HA LYS 42 0.650 5.443 -0.433
328 1HB LYS 42 1HB LYS 42 -0.377 7.694 1.160
329 2HB LYS 42 2HB LYS 42 1.386 7.602 1.144
330 1HG LYS 42 1HG LYS 42 0.465 8.935 -0.745
331 2HG LYS 42 2HG LYS 42 1.403 7.541 -1.276
332 1HD LYS 42 1HD LYS 42 -1.144 6.499 -1.015
333 2HD LYS 42 2HD LYS 42 -1.453 8.116 -1.643
334 1HE LYS 42 1HE LYS 42 -0.621 7.592 -3.681
335 2HE LYS 42 2HE LYS 42 0.788 6.796 -2.984
336 1HZ LYS 42 1HZ LYS 42 -1.912 5.568 -3.055
337 2HZ LYS 42 2HZ LYS 42 -0.743 5.310 -4.251
338 3HZ LYS 42 3HZ LYS 42 -0.448 4.807 -2.656
339 H LYS 43 H LYS 43 0.335 5.966 3.070
340 HA LYS 43 HA LYS 43 2.841 5.592 4.066
341 1HB LYS 43 1HB LYS 43 0.195 4.960 5.037
342 2HB LYS 43 2HB LYS 43 1.385 3.797 5.638
343 1HG LYS 43 1HG LYS 43 1.582 6.818 5.822
344 2HG LYS 43 2HG LYS 43 1.224 5.725 7.148
345 1HD LYS 43 1HD LYS 43 3.428 5.502 7.517
346 2HD LYS 43 2HD LYS 43 3.570 4.727 5.940
347 1HE LYS 43 1HE LYS 43 3.924 6.889 4.863
348 2HE LYS 43 2HE LYS 43 3.648 7.728 6.390
349 1HZ LYS 43 1HZ LYS 43 5.569 6.553 7.313
350 2HZ LYS 43 2HZ LYS 43 5.857 5.834 5.800
351 3HZ LYS 43 3HZ LYS 43 5.995 7.515 5.979
352 H LEU 44 H LEU 44 0.859 3.035 2.653
353 HA LEU 44 HA LEU 44 2.867 1.000 3.292
354 1HB LEU 44 1HB LEU 44 0.958 -0.185 3.352
355 2HB LEU 44 2HB LEU 44 0.056 1.149 2.637
356 HG LEU 44 HG LEU 44 1.016 0.427 0.426
357 1HD1 LEU 44 1HD1 LEU 44 -1.307 0.061 1.233
358 2HD1 LEU 44 2HD1 LEU 44 -0.758 -1.226 0.158
359 3HD1 LEU 44 3HD1 LEU 44 -0.796 -1.489 1.901
360 1HD2 LEU 44 1HD2 LEU 44 2.256 -1.482 2.235
361 2HD2 LEU 44 2HD2 LEU 44 1.269 -2.332 1.040
362 3HD2 LEU 44 3HD2 LEU 44 2.555 -1.249 0.508
363 H LEU 45 H LEU 45 1.619 2.804 0.531
364 HA LEU 45 HA LEU 45 2.886 1.487 -1.595
365 1HB LEU 45 1HB LEU 45 1.617 3.997 -1.173
366 2HB LEU 45 2HB LEU 45 3.097 4.278 -2.064
367 HG LEU 45 HG LEU 45 2.362 2.304 -3.535
368 1HD1 LEU 45 1HD1 LEU 45 0.697 1.566 -1.851
369 2HD1 LEU 45 2HD1 LEU 45 -0.240 2.997 -2.231
370 3HD1 LEU 45 3HD1 LEU 45 0.025 1.775 -3.468
371 1HD2 LEU 45 1HD2 LEU 45 1.232 5.053 -3.374
372 2HD2 LEU 45 2HD2 LEU 45 2.173 4.309 -4.670
373 3HD2 LEU 45 3HD2 LEU 45 0.457 3.934 -4.502
374 H LYS 46 H LYS 46 4.263 3.914 0.654
375 HA LYS 46 HA LYS 46 6.711 4.390 -0.662
376 1HB LYS 46 1HB LYS 46 5.644 4.945 1.872
377 2HB LYS 46 2HB LYS 46 7.107 4.017 2.201
378 1HG LYS 46 1HG LYS 46 7.800 6.302 2.078
379 2HG LYS 46 2HG LYS 46 8.293 5.570 0.551
380 1HD LYS 46 1HD LYS 46 5.629 6.464 0.190
381 2HD LYS 46 2HD LYS 46 6.491 7.777 0.991
382 1HE LYS 46 1HE LYS 46 7.557 6.326 -1.446
383 2HE LYS 46 2HE LYS 46 6.623 7.818 -1.538
384 1HZ LYS 46 1HZ LYS 46 8.517 8.340 0.346
385 2HZ LYS 46 2HZ LYS 46 9.363 7.430 -0.813
386 3HZ LYS 46 3HZ LYS 46 8.560 8.850 -1.275
387 H LEU 47 H LEU 47 5.701 1.704 1.359
388 HA LEU 47 HA LEU 47 8.294 0.308 1.136
389 1HB LEU 47 1HB LEU 47 5.613 -0.560 2.242
390 2HB LEU 47 2HB LEU 47 7.137 -1.407 2.484
391 HG LEU 47 HG LEU 47 6.877 1.474 3.295
392 1HD1 LEU 47 1HD1 LEU 47 8.697 -0.812 3.727
393 2HD1 LEU 47 2HD1 LEU 47 9.034 0.918 3.783
394 3HD1 LEU 47 3HD1 LEU 47 8.329 0.112 5.184
395 1HD2 LEU 47 1HD2 LEU 47 5.425 -0.835 4.381
396 2HD2 LEU 47 2HD2 LEU 47 6.396 0.001 5.596
397 3HD2 LEU 47 3HD2 LEU 47 5.175 0.889 4.682
398 H ARG 48 H ARG 48 5.305 0.533 -0.479
399 HA ARG 48 HA ARG 48 5.717 -2.021 -1.950
400 1HB ARG 48 1HB ARG 48 3.619 -1.999 -0.809
401 2HB ARG 48 2HB ARG 48 3.279 -0.353 -1.309
402 1HG ARG 48 1HG ARG 48 3.710 -2.283 -3.498
403 2HG ARG 48 2HG ARG 48 2.248 -2.524 -2.541
404 1HD ARG 48 1HD ARG 48 2.753 0.298 -3.219
405 2HD ARG 48 2HD ARG 48 2.503 -0.715 -4.614
406 HE ARG 48 HE ARG 48 0.488 -0.080 -2.583
407 1HH1 ARG 48 1HH1 ARG 48 -0.837 0.288 -4.839
408 2HH1 ARG 48 2HH1 ARG 48 -1.414 -1.234 -5.421
409 1HH2 ARG 48 1HH2 ARG 48 0.755 -3.105 -3.464
410 2HH2 ARG 48 2HH2 ARG 48 -0.520 -3.160 -4.632
411 H GLU 49 H GLU 49 6.776 0.901 -2.468
412 HA GLU 49 HA GLU 49 5.511 1.473 -5.066
413 1HB GLU 49 1HB GLU 49 7.474 2.829 -3.279
414 2HB GLU 49 2HB GLU 49 7.614 3.163 -5.005
415 1HG GLU 49 1HG GLU 49 5.197 3.749 -5.060
416 2HG GLU 49 2HG GLU 49 5.112 3.485 -3.320
417 H GLN 50 H GLN 50 6.357 -0.930 -5.480
418 HA GLN 50 HA GLN 50 7.948 -2.357 -6.495
419 1HB GLN 50 1HB GLN 50 8.469 -1.594 -8.734
420 2HB GLN 50 2HB GLN 50 6.842 -1.047 -8.329
421 1HG GLN 50 1HG GLN 50 9.132 0.772 -7.695
422 2HG GLN 50 2HG GLN 50 8.636 0.618 -9.378
423 2HE2 GLN 50 2HE2 GLN 50 8.103 3.075 -8.676
424 1HE2 GLN 50 1HE2 GLN 50 6.504 3.327 -8.167
425 H GLY 51 H GLY 51 10.214 -1.245 -8.113
426 1HA GLY 51 1HA GLY 51 12.012 0.306 -6.619
427 2HA GLY 51 2HA GLY 51 12.517 -0.955 -7.744
428 H THR 52 H THR 52 10.904 -2.916 -6.011
429 HA THR 52 HA THR 52 12.258 -2.964 -3.442
430 HB THR 52 HB THR 52 10.879 -5.287 -4.808
431 HG1 THR 52 HG1 THR 52 9.472 -3.557 -4.835
432 1HG2 THR 52 1HG2 THR 52 12.225 -5.587 -2.657
433 2HG2 THR 52 2HG2 THR 52 11.016 -4.567 -1.877
434 3HG2 THR 52 3HG2 THR 52 10.540 -6.106 -2.595
435 H GLU 53 H GLU 53 12.747 -4.541 -6.575
436 HA GLU 53 HA GLU 53 15.535 -4.879 -6.242
437 1HB GLU 53 1HB GLU 53 15.655 -7.330 -5.812
438 2HB GLU 53 2HB GLU 53 14.977 -6.447 -4.444
439 1HG GLU 53 1HG GLU 53 12.719 -7.052 -5.106
440 2HG GLU 53 2HG GLU 53 13.311 -7.794 -6.592
441 H SER 54 H SER 54 14.121 -4.070 -8.390
442 HA SER 54 HA SER 54 13.591 -4.532 -10.638
443 1HB SER 54 1HB SER 54 15.958 -4.674 -10.883
444 2HB SER 54 2HB SER 54 16.021 -6.242 -10.078
445 HG SER 54 HG SER 54 14.569 -5.828 -12.461
446 H ARG 55 H ARG 55 14.785 -7.801 -10.306
447 HA ARG 55 HA ARG 55 13.653 -9.814 -10.793
448 1HB ARG 55 1HB ARG 55 13.238 -9.531 -8.374
449 2HB ARG 55 2HB ARG 55 11.790 -8.589 -8.734
450 1HG ARG 55 1HG ARG 55 11.372 -11.039 -8.215
451 2HG ARG 55 2HG ARG 55 10.715 -10.483 -9.754
452 1HD ARG 55 1HD ARG 55 11.964 -12.698 -9.851
453 2HD ARG 55 2HD ARG 55 12.528 -11.465 -10.984
454 HE ARG 55 HE ARG 55 14.065 -11.213 -8.570
455 1HH1 ARG 55 1HH1 ARG 55 15.384 -11.383 -11.196
456 2HH1 ARG 55 2HH1 ARG 55 16.140 -12.941 -11.158
457 1HH2 ARG 55 1HH2 ARG 55 14.220 -14.103 -8.516
458 2HH2 ARG 55 2HH2 ARG 55 15.481 -14.480 -9.640
459 H SER 56 H SER 56 13.140 -8.519 -12.948
460 HA SER 56 HA SER 56 10.252 -7.943 -13.228
461 1HB SER 56 1HB SER 56 12.659 -7.601 -15.015
462 2HB SER 56 2HB SER 56 11.023 -7.466 -15.660
463 HG SER 56 HG SER 56 11.051 -5.523 -14.912
464 H SER 57 H SER 57 12.695 -10.159 -14.596
465 HA SER 57 HA SER 57 10.639 -12.225 -14.912
466 1HB SER 57 1HB SER 57 10.265 -11.019 -16.981
467 2HB SER 57 2HB SER 57 11.996 -10.974 -17.317
468 HG SER 57 HG SER 57 10.688 -13.426 -16.916
No H/Q in entry = 468
Start of MODEL 9
1 H1 ARG 1 H1 ARG 1 6.490 -6.911 -17.949
2 H2 ARG 1 H2 ARG 1 5.782 -7.923 -16.782
3 H3 ARG 1 H3 ARG 1 6.076 -8.510 -18.345
4 HA ARG 1 HA ARG 1 4.457 -7.014 -19.281
5 1HB ARG 1 1HB ARG 1 3.702 -8.805 -16.970
6 2HB ARG 1 2HB ARG 1 2.431 -7.866 -17.750
7 1HG ARG 1 1HG ARG 1 4.234 -9.971 -18.988
8 2HG ARG 1 2HG ARG 1 2.474 -9.978 -18.868
9 1HD ARG 1 1HD ARG 1 4.212 -8.247 -20.650
10 2HD ARG 1 2HD ARG 1 2.924 -9.358 -21.131
11 HE ARG 1 HE ARG 1 1.785 -7.345 -19.429
12 1HH1 ARG 1 1HH1 ARG 1 3.743 -5.851 -21.302
13 2HH1 ARG 1 2HH1 ARG 1 2.667 -5.395 -22.580
14 1HH2 ARG 1 1HH2 ARG 1 0.164 -7.594 -21.613
15 2HH2 ARG 1 2HH2 ARG 1 0.640 -6.381 -22.756
16 H GLN 2 H GLN 2 5.634 -6.137 -16.229
17 HA GLN 2 HA GLN 2 4.409 -3.525 -16.374
18 1HB GLN 2 1HB GLN 2 3.198 -3.758 -14.142
19 2HB GLN 2 2HB GLN 2 2.434 -4.568 -15.509
20 1HG GLN 2 1HG GLN 2 3.134 -6.700 -14.793
21 2HG GLN 2 2HG GLN 2 4.398 -6.037 -13.757
22 2HE2 GLN 2 2HE2 GLN 2 1.758 -7.732 -13.292
23 1HE2 GLN 2 1HE2 GLN 2 1.060 -6.956 -11.953
24 H GLU 3 H GLU 3 5.035 -2.217 -14.370
25 HA GLU 3 HA GLU 3 7.124 -3.339 -12.661
26 1HB GLU 3 1HB GLU 3 8.422 -2.925 -14.704
27 2HB GLU 3 2HB GLU 3 7.836 -1.262 -14.756
28 1HG GLU 3 1HG GLU 3 9.893 -0.987 -13.691
29 2HG GLU 3 2HG GLU 3 8.808 -1.153 -12.310
30 H ASP 4 H ASP 4 5.258 -2.476 -11.305
31 HA ASP 4 HA ASP 4 5.906 0.299 -10.495
32 1HB ASP 4 1HB ASP 4 3.296 -0.621 -11.623
33 2HB ASP 4 2HB ASP 4 3.250 0.508 -10.269
34 H LYS 5 H LYS 5 3.889 -2.573 -9.858
35 HA LYS 5 HA LYS 5 3.720 -3.800 -7.845
36 1HB LYS 5 1HB LYS 5 6.040 -2.625 -7.366
37 2HB LYS 5 2HB LYS 5 5.075 -1.621 -6.288
38 1HG LYS 5 1HG LYS 5 5.857 -3.459 -4.965
39 2HG LYS 5 2HG LYS 5 4.156 -3.786 -5.298
40 1HD LYS 5 1HD LYS 5 4.710 -5.719 -6.310
41 2HD LYS 5 2HD LYS 5 5.735 -4.846 -7.448
42 1HE LYS 5 1HE LYS 5 7.030 -6.531 -6.177
43 2HE LYS 5 2HE LYS 5 7.590 -4.894 -5.828
44 1HZ LYS 5 1HZ LYS 5 5.907 -5.016 -3.913
45 2HZ LYS 5 2HZ LYS 5 5.973 -6.697 -4.147
46 3HZ LYS 5 3HZ LYS 5 7.383 -5.837 -3.745
47 H ASP 6 H ASP 6 3.576 -0.285 -7.068
48 HA ASP 6 HA ASP 6 1.250 -0.622 -5.388
49 1HB ASP 6 1HB ASP 6 1.395 1.690 -5.058
50 2HB ASP 6 2HB ASP 6 3.054 1.266 -5.440
51 H ASP 7 H ASP 7 1.420 -1.011 -8.647
52 HA ASP 7 HA ASP 7 -0.488 0.501 -9.920
53 1HB ASP 7 1HB ASP 7 0.556 -1.237 -11.163
54 2HB ASP 7 2HB ASP 7 -0.003 -2.479 -10.043
55 H LEU 8 H LEU 8 -1.190 -2.223 -7.695
56 HA LEU 8 HA LEU 8 -3.937 -2.440 -7.940
57 1HB LEU 8 1HB LEU 8 -2.523 -3.681 -6.261
58 2HB LEU 8 2HB LEU 8 -2.529 -2.231 -5.259
59 HG LEU 8 HG LEU 8 -5.208 -3.073 -6.164
60 1HD1 LEU 8 1HD1 LEU 8 -3.829 -5.239 -5.712
61 2HD1 LEU 8 2HD1 LEU 8 -3.916 -4.747 -4.021
62 3HD1 LEU 8 3HD1 LEU 8 -5.398 -5.063 -4.925
63 1HD2 LEU 8 1HD2 LEU 8 -3.875 -2.060 -3.687
64 2HD2 LEU 8 2HD2 LEU 8 -5.289 -1.435 -4.533
65 3HD2 LEU 8 3HD2 LEU 8 -5.430 -2.880 -3.530
66 H ASP 9 H ASP 9 -5.751 -1.348 -6.949
67 HA ASP 9 HA ASP 9 -5.368 1.553 -6.780
68 1HB ASP 9 1HB ASP 9 -7.738 -0.297 -6.686
69 2HB ASP 9 2HB ASP 9 -7.911 1.387 -6.200
70 H VAL 10 H VAL 10 -3.918 1.285 -4.867
71 HA VAL 10 HA VAL 10 -4.636 0.254 -2.371
72 HB VAL 10 HB VAL 10 -3.316 2.603 -1.683
73 1HG1 VAL 10 1HG1 VAL 10 -3.128 2.918 -4.239
74 2HG1 VAL 10 2HG1 VAL 10 -1.669 3.079 -3.271
75 3HG1 VAL 10 3HG1 VAL 10 -1.964 1.593 -4.167
76 1HG2 VAL 10 1HG2 VAL 10 -2.957 -0.090 -1.406
77 2HG2 VAL 10 2HG2 VAL 10 -1.610 0.325 -2.466
78 3HG2 VAL 10 3HG2 VAL 10 -1.774 1.120 -0.897
79 H THR 11 H THR 11 -6.223 2.851 -3.956
80 HA THR 11 HA THR 11 -7.152 3.922 -1.345
81 HB THR 11 HB THR 11 -6.578 5.788 -2.550
82 HG1 THR 11 HG1 THR 11 -8.917 5.681 -2.102
83 1HG2 THR 11 1HG2 THR 11 -7.438 4.253 -5.003
84 2HG2 THR 11 2HG2 THR 11 -7.104 5.979 -5.049
85 3HG2 THR 11 3HG2 THR 11 -5.830 4.851 -4.595
86 H GLU 12 H GLU 12 -8.680 3.018 -4.502
87 HA GLU 12 HA GLU 12 -11.334 3.006 -3.445
88 1HB GLU 12 1HB GLU 12 -11.986 2.012 -5.467
89 2HB GLU 12 2HB GLU 12 -10.484 2.809 -5.929
90 1HG GLU 12 1HG GLU 12 -9.338 0.575 -5.309
91 2HG GLU 12 2HG GLU 12 -10.958 -0.118 -5.365
92 H LEU 13 H LEU 13 -8.723 0.764 -3.326
93 HA LEU 13 HA LEU 13 -9.680 -1.708 -2.797
94 1HB LEU 13 1HB LEU 13 -7.681 -2.100 -1.701
95 2HB LEU 13 2HB LEU 13 -7.310 -0.559 -2.459
96 HG LEU 13 HG LEU 13 -8.329 -0.933 0.360
97 1HD1 LEU 13 1HD1 LEU 13 -5.937 -1.636 -0.120
98 2HD1 LEU 13 2HD1 LEU 13 -5.619 0.027 -0.614
99 3HD1 LEU 13 3HD1 LEU 13 -6.084 -0.323 1.050
100 1HD2 LEU 13 1HD2 LEU 13 -7.666 1.508 -1.280
101 2HD2 LEU 13 2HD2 LEU 13 -9.110 1.190 -0.325
102 3HD2 LEU 13 3HD2 LEU 13 -7.582 1.541 0.476
103 H THR 14 H THR 14 -10.087 -2.869 -0.723
104 HA THR 14 HA THR 14 -12.142 -1.371 0.800
105 HB THR 14 HB THR 14 -12.774 -3.598 1.679
106 HG1 THR 14 HG1 THR 14 -11.515 -5.266 1.388
107 1HG2 THR 14 1HG2 THR 14 -12.508 -3.095 -1.259
108 2HG2 THR 14 2HG2 THR 14 -13.110 -4.663 -0.721
109 3HG2 THR 14 3HG2 THR 14 -13.964 -3.187 -0.267
110 H ASN 15 H ASN 15 -12.129 -2.546 3.251
111 HA ASN 15 HA ASN 15 -9.675 -1.431 4.428
112 1HB ASN 15 1HB ASN 15 -10.891 -1.960 6.603
113 2HB ASN 15 2HB ASN 15 -11.688 -0.795 5.546
114 2HD2 ASN 15 2HD2 ASN 15 -13.607 -1.530 4.348
115 1HD2 ASN 15 1HD2 ASN 15 -14.435 -2.940 4.807
116 H GLU 16 H GLU 16 -11.454 -4.531 4.670
117 HA GLU 16 HA GLU 16 -9.341 -5.853 6.103
118 1HB GLU 16 1HB GLU 16 -11.460 -6.879 6.289
119 2HB GLU 16 2HB GLU 16 -11.754 -6.800 4.555
120 1HG GLU 16 1HG GLU 16 -9.899 -8.454 4.218
121 2HG GLU 16 2HG GLU 16 -9.772 -8.609 5.969
122 H ASP 17 H ASP 17 -10.288 -5.917 2.668
123 HA ASP 17 HA ASP 17 -8.295 -7.695 1.760
124 1HB ASP 17 1HB ASP 17 -10.314 -6.432 0.533
125 2HB ASP 17 2HB ASP 17 -8.993 -5.388 0.009
126 H LEU 18 H LEU 18 -7.992 -4.253 2.562
127 HA LEU 18 HA LEU 18 -5.336 -4.205 1.311
128 1HB LEU 18 1HB LEU 18 -5.252 -1.938 1.685
129 2HB LEU 18 2HB LEU 18 -6.985 -2.210 1.518
130 HG LEU 18 HG LEU 18 -7.039 -2.403 4.076
131 1HD1 LEU 18 1HD1 LEU 18 -4.236 -2.039 3.646
132 2HD1 LEU 18 2HD1 LEU 18 -4.849 -0.620 4.493
133 3HD1 LEU 18 3HD1 LEU 18 -5.082 -2.228 5.183
134 1HD2 LEU 18 1HD2 LEU 18 -7.872 -0.458 2.774
135 2HD2 LEU 18 2HD2 LEU 18 -7.169 0.030 4.317
136 3HD2 LEU 18 3HD2 LEU 18 -6.255 0.240 2.826
137 H LEU 19 H LEU 19 -6.674 -4.994 4.358
138 HA LEU 19 HA LEU 19 -4.509 -4.365 6.076
139 1HB LEU 19 1HB LEU 19 -6.522 -6.624 6.095
140 2HB LEU 19 2HB LEU 19 -5.274 -6.503 7.330
141 HG LEU 19 HG LEU 19 -7.585 -4.647 6.796
142 1HD1 LEU 19 1HD1 LEU 19 -6.395 -6.095 9.173
143 2HD1 LEU 19 2HD1 LEU 19 -7.647 -4.860 9.343
144 3HD1 LEU 19 3HD1 LEU 19 -7.985 -6.339 8.444
145 1HD2 LEU 19 1HD2 LEU 19 -4.895 -3.973 7.940
146 2HD2 LEU 19 2HD2 LEU 19 -5.986 -2.971 6.975
147 3HD2 LEU 19 3HD2 LEU 19 -6.328 -3.268 8.679
148 H ASP 20 H ASP 20 -4.764 -6.608 3.482
149 HA ASP 20 HA ASP 20 -2.581 -8.331 4.424
150 1HB ASP 20 1HB ASP 20 -4.499 -9.026 2.849
151 2HB ASP 20 2HB ASP 20 -3.626 -8.150 1.592
152 H GLN 21 H GLN 21 -3.003 -5.548 2.329
153 HA GLN 21 HA GLN 21 -0.359 -5.631 1.194
154 1HB GLN 21 1HB GLN 21 -2.326 -3.312 1.428
155 2HB GLN 21 2HB GLN 21 -0.901 -3.358 0.403
156 1HG GLN 21 1HG GLN 21 -2.671 -5.638 0.006
157 2HG GLN 21 2HG GLN 21 -3.424 -4.106 -0.380
158 2HE2 GLN 21 2HE2 GLN 21 -1.988 -2.662 -1.875
159 1HE2 GLN 21 1HE2 GLN 21 -1.135 -3.488 -3.071
160 H LEU 22 H LEU 22 -1.732 -4.375 4.139
161 HA LEU 22 HA LEU 22 0.749 -2.813 4.640
162 1HB LEU 22 1HB LEU 22 -2.013 -2.810 5.786
163 2HB LEU 22 2HB LEU 22 -0.688 -2.339 6.844
164 HG LEU 22 HG LEU 22 -0.147 -1.011 4.477
165 1HD1 LEU 22 1HD1 LEU 22 -2.447 -1.596 3.703
166 2HD1 LEU 22 2HD1 LEU 22 -3.094 -0.777 5.128
167 3HD1 LEU 22 3HD1 LEU 22 -2.230 0.143 3.893
168 1HD2 LEU 22 1HD2 LEU 22 -0.418 -0.373 7.120
169 2HD2 LEU 22 2HD2 LEU 22 -0.111 0.795 5.844
170 3HD2 LEU 22 3HD2 LEU 22 -1.756 0.515 6.403
171 H VAL 23 H VAL 23 -1.286 -5.258 6.241
172 HA VAL 23 HA VAL 23 0.516 -5.770 8.369
173 HB VAL 23 HB VAL 23 -1.544 -7.587 7.084
174 1HG1 VAL 23 1HG1 VAL 23 0.230 -7.889 9.487
175 2HG1 VAL 23 2HG1 VAL 23 -1.384 -8.601 9.505
176 3HG1 VAL 23 3HG1 VAL 23 -0.217 -9.090 8.275
177 1HG2 VAL 23 1HG2 VAL 23 -2.129 -5.307 8.276
178 2HG2 VAL 23 2HG2 VAL 23 -3.082 -6.750 8.622
179 3HG2 VAL 23 3HG2 VAL 23 -1.823 -6.234 9.746
180 H LYS 24 H LYS 24 1.130 -6.450 5.066
181 HA LYS 24 HA LYS 24 2.810 -8.704 6.036
182 1HB LYS 24 1HB LYS 24 2.763 -9.695 3.859
183 2HB LYS 24 2HB LYS 24 1.111 -9.185 4.192
184 1HG LYS 24 1HG LYS 24 1.178 -8.013 2.285
185 2HG LYS 24 2HG LYS 24 2.315 -6.927 3.071
186 1HD LYS 24 1HD LYS 24 2.900 -9.336 1.307
187 2HD LYS 24 2HD LYS 24 3.359 -7.665 1.021
188 1HE LYS 24 1HE LYS 24 4.982 -7.744 2.857
189 2HE LYS 24 2HE LYS 24 4.457 -9.378 3.278
190 1HZ LYS 24 1HZ LYS 24 5.007 -9.693 0.708
191 2HZ LYS 24 2HZ LYS 24 6.124 -8.471 1.089
192 3HZ LYS 24 3HZ LYS 24 6.144 -9.941 1.941
193 H TYR 25 H TYR 25 2.990 -5.700 4.225
194 HA TYR 25 HA TYR 25 5.767 -6.094 3.512
195 1HB TYR 25 1HB TYR 25 3.887 -3.758 3.590
196 2HB TYR 25 2HB TYR 25 5.620 -3.457 3.478
197 HD1 TYR 25 HD1 TYR 25 2.662 -4.706 1.767
198 HD2 TYR 25 HD2 TYR 25 6.933 -4.363 1.578
199 HE1 TYR 25 HE1 TYR 25 2.593 -5.272 -0.654
200 HE2 TYR 25 HE2 TYR 25 6.879 -4.937 -0.839
201 HH TYR 25 HH TYR 25 5.350 -6.141 -2.407
202 H GLY 26 H GLY 26 4.280 -5.861 6.471
203 1HA GLY 26 1HA GLY 26 6.769 -4.816 7.701
204 2HA GLY 26 2HA GLY 26 5.573 -5.846 8.510
205 H VAL 27 H VAL 27 3.383 -4.355 7.178
206 HA VAL 27 HA VAL 27 3.607 -1.756 8.679
207 HB VAL 27 HB VAL 27 1.664 -2.309 6.418
208 1HG1 VAL 27 1HG1 VAL 27 1.140 -0.475 7.999
209 2HG1 VAL 27 2HG1 VAL 27 2.718 0.244 7.664
210 3HG1 VAL 27 3HG1 VAL 27 1.513 0.137 6.380
211 1HG2 VAL 27 1HG2 VAL 27 4.401 -2.249 6.091
212 2HG2 VAL 27 2HG2 VAL 27 3.227 -1.786 4.848
213 3HG2 VAL 27 3HG2 VAL 27 3.964 -0.553 5.879
214 H ASN 28 H ASN 28 2.355 -1.572 10.447
215 HA ASN 28 HA ASN 28 -0.167 -3.164 10.526
216 1HB ASN 28 1HB ASN 28 1.677 -4.129 11.957
217 2HB ASN 28 2HB ASN 28 1.610 -2.654 12.923
218 2HD2 ASN 28 2HD2 ASN 28 -0.935 -2.131 13.515
219 1HD2 ASN 28 1HD2 ASN 28 -1.805 -3.474 14.090
220 HA PRO 29 HA PRO 29 -1.256 1.177 11.238
221 1HB PRO 29 1HB PRO 29 -3.650 0.928 9.843
222 2HB PRO 29 2HB PRO 29 -2.110 1.400 9.123
223 1HG PRO 29 1HG PRO 29 -3.601 -1.149 8.921
224 2HG PRO 29 2HG PRO 29 -2.365 -0.454 7.845
225 1HD PRO 29 1HD PRO 29 -1.960 -2.522 9.760
226 2HD PRO 29 2HD PRO 29 -0.712 -1.695 8.836
227 H GLY 30 H GLY 30 -3.664 -1.528 11.354
228 1HA GLY 30 1HA GLY 30 -4.344 -0.582 14.091
229 2HA GLY 30 2HA GLY 30 -4.669 -2.192 13.470
230 HA PRO 31 HA PRO 31 -8.524 0.341 13.065
231 1HB PRO 31 1HB PRO 31 -8.338 3.049 13.467
232 2HB PRO 31 2HB PRO 31 -8.463 1.887 14.769
233 1HG PRO 31 1HG PRO 31 -6.196 3.484 13.921
234 2HG PRO 31 2HG PRO 31 -6.461 2.680 15.462
235 1HD PRO 31 1HD PRO 31 -4.767 1.775 13.336
236 2HD PRO 31 2HD PRO 31 -5.161 0.913 14.831
237 H ILE 32 H ILE 32 -8.618 -0.079 10.807
238 HA ILE 32 HA ILE 32 -7.741 2.116 8.995
239 HB ILE 32 HB ILE 32 -8.854 -0.611 8.288
240 1HG1 ILE 32 1HG1 ILE 32 -6.437 -0.198 9.523
241 2HG1 ILE 32 2HG1 ILE 32 -6.772 -1.514 8.410
242 1HG2 ILE 32 1HG2 ILE 32 -7.787 1.730 6.771
243 2HG2 ILE 32 2HG2 ILE 32 -7.540 0.110 6.124
244 3HG2 ILE 32 3HG2 ILE 32 -9.175 0.705 6.416
245 1HD1 ILE 32 1HD1 ILE 32 -5.922 1.088 7.223
246 2HD1 ILE 32 2HD1 ILE 32 -4.694 0.114 8.038
247 3HD1 ILE 32 3HD1 ILE 32 -5.604 -0.561 6.685
248 H VAL 33 H VAL 33 -9.702 3.118 10.337
249 HA VAL 33 HA VAL 33 -12.382 2.506 9.741
250 HB VAL 33 HB VAL 33 -12.626 5.142 9.933
251 1HG1 VAL 33 1HG1 VAL 33 -12.578 2.989 11.725
252 2HG1 VAL 33 2HG1 VAL 33 -11.558 4.216 12.475
253 3HG1 VAL 33 3HG1 VAL 33 -13.224 4.600 12.040
254 1HG2 VAL 33 1HG2 VAL 33 -9.924 5.088 9.669
255 2HG2 VAL 33 2HG2 VAL 33 -10.779 6.340 10.570
256 3HG2 VAL 33 3HG2 VAL 33 -10.062 4.978 11.425
257 H GLY 34 H GLY 34 -13.767 4.175 8.295
258 1HA GLY 34 1HA GLY 34 -14.352 4.658 6.070
259 2HA GLY 34 2HA GLY 34 -12.978 3.677 5.566
260 H THR 35 H THR 35 -11.834 5.932 7.713
261 HA THR 35 HA THR 35 -11.330 7.952 5.589
262 HB THR 35 HB THR 35 -10.440 8.925 8.087
263 HG1 THR 35 HG1 THR 35 -11.641 7.532 9.235
264 1HG2 THR 35 1HG2 THR 35 -11.458 10.202 6.209
265 2HG2 THR 35 2HG2 THR 35 -13.022 9.488 6.603
266 3HG2 THR 35 3HG2 THR 35 -12.225 10.559 7.756
267 H THR 36 H THR 36 -9.881 5.307 6.869
268 HA THR 36 HA THR 36 -7.186 6.557 6.935
269 HB THR 36 HB THR 36 -6.583 4.180 7.801
270 HG1 THR 36 HG1 THR 36 -8.647 3.314 7.241
271 1HG2 THR 36 1HG2 THR 36 -8.318 6.126 9.336
272 2HG2 THR 36 2HG2 THR 36 -7.270 4.906 10.074
273 3HG2 THR 36 3HG2 THR 36 -6.566 6.231 9.131
274 H ARG 37 H ARG 37 -8.788 3.678 5.427
275 HA ARG 37 HA ARG 37 -6.805 2.606 3.942
276 1HB ARG 37 1HB ARG 37 -9.318 3.483 2.519
277 2HB ARG 37 2HB ARG 37 -8.273 2.137 2.102
278 1HG ARG 37 1HG ARG 37 -9.758 0.894 3.264
279 2HG ARG 37 2HG ARG 37 -8.864 1.478 4.678
280 1HD ARG 37 1HD ARG 37 -11.654 2.109 3.865
281 2HD ARG 37 2HD ARG 37 -10.868 2.431 5.411
282 HE ARG 37 HE ARG 37 -9.985 4.550 4.374
283 1HH1 ARG 37 1HH1 ARG 37 -13.064 3.322 3.735
284 2HH1 ARG 37 2HH1 ARG 37 -13.436 4.451 2.475
285 1HH2 ARG 37 1HH2 ARG 37 -10.241 5.794 2.368
286 2HH2 ARG 37 2HH2 ARG 37 -11.839 5.849 1.701
287 H LYS 38 H LYS 38 -8.305 5.729 2.992
288 HA LYS 38 HA LYS 38 -6.684 6.224 0.727
289 1HB LYS 38 1HB LYS 38 -8.499 7.714 1.102
290 2HB LYS 38 2HB LYS 38 -7.989 8.043 2.758
291 1HG LYS 38 1HG LYS 38 -6.207 9.411 2.067
292 2HG LYS 38 2HG LYS 38 -6.193 8.732 0.440
293 1HD LYS 38 1HD LYS 38 -8.482 10.371 1.562
294 2HD LYS 38 2HD LYS 38 -7.188 11.044 0.572
295 1HE LYS 38 1HE LYS 38 -8.364 10.442 -1.253
296 2HE LYS 38 2HE LYS 38 -8.086 8.758 -0.810
297 1HZ LYS 38 1HZ LYS 38 -10.060 9.105 0.757
298 2HZ LYS 38 2HZ LYS 38 -10.406 10.472 -0.191
299 3HZ LYS 38 3HZ LYS 38 -10.381 8.933 -0.903
300 H LEU 39 H LEU 39 -6.197 7.274 4.106
301 HA LEU 39 HA LEU 39 -3.635 8.418 3.831
302 1HB LEU 39 1HB LEU 39 -5.335 8.049 5.936
303 2HB LEU 39 2HB LEU 39 -4.150 6.798 6.278
304 HG LEU 39 HG LEU 39 -3.509 9.714 5.844
305 1HD1 LEU 39 1HD1 LEU 39 -4.650 9.224 8.000
306 2HD1 LEU 39 2HD1 LEU 39 -3.436 7.991 8.342
307 3HD1 LEU 39 3HD1 LEU 39 -2.966 9.689 8.247
308 1HD2 LEU 39 1HD2 LEU 39 -1.879 7.220 6.302
309 2HD2 LEU 39 2HD2 LEU 39 -1.610 8.499 5.118
310 3HD2 LEU 39 3HD2 LEU 39 -1.264 8.788 6.826
311 H TYR 40 H TYR 40 -4.264 5.139 5.091
312 HA TYR 40 HA TYR 40 -1.556 4.305 4.875
313 1HB TYR 40 1HB TYR 40 -4.159 2.775 5.001
314 2HB TYR 40 2HB TYR 40 -2.581 1.993 5.046
315 HD1 TYR 40 HD1 TYR 40 -0.850 3.226 6.713
316 HD2 TYR 40 HD2 TYR 40 -5.130 3.272 7.048
317 HE1 TYR 40 HE1 TYR 40 -0.656 3.733 9.131
318 HE2 TYR 40 HE2 TYR 40 -4.939 3.793 9.463
319 HH TYR 40 HH TYR 40 -1.827 3.759 11.107
320 H GLU 41 H GLU 41 -3.818 4.912 2.448
321 HA GLU 41 HA GLU 41 -3.213 2.867 0.580
322 1HB GLU 41 1HB GLU 41 -4.703 4.008 -0.723
323 2HB GLU 41 2HB GLU 41 -4.908 5.070 0.661
324 1HG GLU 41 1HG GLU 41 -3.035 6.473 -0.189
325 2HG GLU 41 2HG GLU 41 -2.967 5.421 -1.593
326 H LYS 42 H LYS 42 -1.379 5.580 1.711
327 HA LYS 42 HA LYS 42 0.532 5.133 -0.520
328 1HB LYS 42 1HB LYS 42 -0.172 7.431 -0.524
329 2HB LYS 42 2HB LYS 42 -0.001 7.555 1.226
330 1HG LYS 42 1HG LYS 42 1.880 8.588 -0.177
331 2HG LYS 42 2HG LYS 42 2.378 7.476 1.098
332 1HD LYS 42 1HD LYS 42 3.608 6.852 -0.859
333 2HD LYS 42 2HD LYS 42 2.347 5.643 -0.656
334 1HE LYS 42 1HE LYS 42 1.176 7.694 -2.193
335 2HE LYS 42 2HE LYS 42 2.788 7.466 -2.870
336 1HZ LYS 42 1HZ LYS 42 1.083 5.141 -2.264
337 2HZ LYS 42 2HZ LYS 42 0.867 5.998 -3.709
338 3HZ LYS 42 3HZ LYS 42 2.358 5.265 -3.376
339 H LYS 43 H LYS 43 0.178 5.584 2.972
340 HA LYS 43 HA LYS 43 2.768 5.446 3.933
341 1HB LYS 43 1HB LYS 43 0.226 5.048 5.027
342 2HB LYS 43 2HB LYS 43 1.112 3.556 5.384
343 1HG LYS 43 1HG LYS 43 1.917 4.749 7.147
344 2HG LYS 43 2HG LYS 43 3.009 5.420 5.947
345 1HD LYS 43 1HD LYS 43 1.335 7.251 5.536
346 2HD LYS 43 2HD LYS 43 0.388 6.618 6.882
347 1HE LYS 43 1HE LYS 43 1.664 8.228 7.970
348 2HE LYS 43 2HE LYS 43 2.685 6.806 8.178
349 1HZ LYS 43 1HZ LYS 43 3.587 7.622 5.857
350 2HZ LYS 43 2HZ LYS 43 3.059 9.126 6.446
351 3HZ LYS 43 3HZ LYS 43 4.204 8.229 7.320
352 H LEU 44 H LEU 44 0.832 2.743 2.679
353 HA LEU 44 HA LEU 44 2.962 0.829 3.294
354 1HB LEU 44 1HB LEU 44 1.187 -0.521 3.383
355 2HB LEU 44 2HB LEU 44 0.146 0.788 2.829
356 HG LEU 44 HG LEU 44 1.007 0.185 0.481
357 1HD1 LEU 44 1HD1 LEU 44 -0.792 -1.647 2.071
358 2HD1 LEU 44 2HD1 LEU 44 -1.276 -0.137 1.304
359 3HD1 LEU 44 3HD1 LEU 44 -0.785 -1.513 0.311
360 1HD2 LEU 44 1HD2 LEU 44 2.317 -1.786 2.159
361 2HD2 LEU 44 2HD2 LEU 44 1.203 -2.600 1.048
362 3HD2 LEU 44 3HD2 LEU 44 2.477 -1.554 0.411
363 H LEU 45 H LEU 45 1.766 2.706 0.641
364 HA LEU 45 HA LEU 45 3.035 1.255 -1.486
365 1HB LEU 45 1HB LEU 45 1.616 3.785 -1.125
366 2HB LEU 45 2HB LEU 45 2.846 3.847 -2.370
367 HG LEU 45 HG LEU 45 1.865 1.686 -3.263
368 1HD1 LEU 45 1HD1 LEU 45 0.565 1.845 -0.814
369 2HD1 LEU 45 2HD1 LEU 45 -0.681 2.244 -1.986
370 3HD1 LEU 45 3HD1 LEU 45 0.176 0.715 -2.105
371 1HD2 LEU 45 1HD2 LEU 45 1.343 3.965 -4.216
372 2HD2 LEU 45 2HD2 LEU 45 0.033 2.803 -4.411
373 3HD2 LEU 45 3HD2 LEU 45 -0.060 4.030 -3.148
374 H LYS 46 H LYS 46 4.215 3.525 0.880
375 HA LYS 46 HA LYS 46 6.559 4.377 -0.591
376 1HB LYS 46 1HB LYS 46 5.817 4.320 2.338
377 2HB LYS 46 2HB LYS 46 7.438 4.786 1.823
378 1HG LYS 46 1HG LYS 46 6.721 6.834 1.213
379 2HG LYS 46 2HG LYS 46 5.434 6.143 0.223
380 1HD LYS 46 1HD LYS 46 3.867 6.456 1.830
381 2HD LYS 46 2HD LYS 46 4.950 5.926 3.116
382 1HE LYS 46 1HE LYS 46 6.029 8.102 3.181
383 2HE LYS 46 2HE LYS 46 5.114 8.641 1.771
384 1HZ LYS 46 1HZ LYS 46 3.276 7.706 3.630
385 2HZ LYS 46 2HZ LYS 46 4.362 8.694 4.485
386 3HZ LYS 46 3HZ LYS 46 3.532 9.312 3.141
387 H LEU 47 H LEU 47 5.619 1.595 1.217
388 HA LEU 47 HA LEU 47 8.367 0.456 1.237
389 1HB LEU 47 1HB LEU 47 5.742 -0.647 2.280
390 2HB LEU 47 2HB LEU 47 7.335 -1.334 2.577
391 HG LEU 47 HG LEU 47 6.832 1.519 3.334
392 1HD1 LEU 47 1HD1 LEU 47 8.672 -0.723 4.022
393 2HD1 LEU 47 2HD1 LEU 47 9.016 0.999 3.851
394 3HD1 LEU 47 3HD1 LEU 47 8.260 0.394 5.324
395 1HD2 LEU 47 1HD2 LEU 47 5.272 -0.705 4.275
396 2HD2 LEU 47 2HD2 LEU 47 6.323 -0.162 5.585
397 3HD2 LEU 47 3HD2 LEU 47 5.216 0.976 4.816
398 H ARG 48 H ARG 48 5.884 0.730 -0.903
399 HA ARG 48 HA ARG 48 6.558 -1.852 -2.215
400 1HB ARG 48 1HB ARG 48 4.571 -2.430 -1.112
401 2HB ARG 48 2HB ARG 48 3.879 -0.828 -1.310
402 1HG ARG 48 1HG ARG 48 4.467 -2.411 -3.768
403 2HG ARG 48 2HG ARG 48 3.075 -2.869 -2.798
404 1HD ARG 48 1HD ARG 48 3.380 0.046 -3.249
405 2HD ARG 48 2HD ARG 48 3.041 -0.880 -4.698
406 HE ARG 48 HE ARG 48 0.929 -0.148 -3.435
407 1HH1 ARG 48 1HH1 ARG 48 1.391 -3.187 -4.239
408 2HH1 ARG 48 2HH1 ARG 48 0.626 -3.947 -2.885
409 1HH2 ARG 48 1HH2 ARG 48 0.483 -1.038 -0.998
410 2HH2 ARG 48 2HH2 ARG 48 0.099 -2.726 -1.054
411 H GLU 49 H GLU 49 6.805 1.302 -2.642
412 HA GLU 49 HA GLU 49 5.450 1.583 -5.234
413 1HB GLU 49 1HB GLU 49 7.030 3.363 -3.422
414 2HB GLU 49 2HB GLU 49 7.013 3.762 -5.140
415 1HG GLU 49 1HG GLU 49 4.442 3.134 -3.702
416 2HG GLU 49 2HG GLU 49 5.142 4.749 -3.608
417 H GLN 50 H GLN 50 6.734 -0.422 -5.892
418 HA GLN 50 HA GLN 50 9.435 -0.680 -6.309
419 1HB GLN 50 1HB GLN 50 7.876 -2.356 -7.127
420 2HB GLN 50 2HB GLN 50 7.235 -1.229 -8.323
421 1HG GLN 50 1HG GLN 50 8.768 -2.537 -9.555
422 2HG GLN 50 2HG GLN 50 9.679 -1.076 -9.179
423 2HE2 GLN 50 2HE2 GLN 50 11.659 -1.394 -8.133
424 1HE2 GLN 50 1HE2 GLN 50 12.123 -2.830 -7.354
425 H GLY 51 H GLY 51 10.840 0.900 -6.905
426 1HA GLY 51 1HA GLY 51 10.327 3.271 -8.262
427 2HA GLY 51 2HA GLY 51 10.655 2.099 -9.541
428 H THR 52 H THR 52 12.033 3.890 -6.865
429 HA THR 52 HA THR 52 14.659 2.618 -7.102
430 HB THR 52 HB THR 52 15.795 4.674 -7.907
431 HG1 THR 52 HG1 THR 52 14.480 6.320 -8.756
432 1HG2 THR 52 1HG2 THR 52 15.070 2.860 -9.479
433 2HG2 THR 52 2HG2 THR 52 13.595 3.777 -9.786
434 3HG2 THR 52 3HG2 THR 52 15.162 4.449 -10.236
435 H GLU 53 H GLU 53 15.221 2.597 -4.938
436 HA GLU 53 HA GLU 53 15.029 5.155 -3.445
437 1HB GLU 53 1HB GLU 53 13.040 3.929 -2.775
438 2HB GLU 53 2HB GLU 53 13.988 2.469 -2.490
439 1HG GLU 53 1HG GLU 53 14.159 3.187 -0.352
440 2HG GLU 53 2HG GLU 53 15.306 4.371 -0.977
441 H SER 54 H SER 54 17.321 5.301 -3.605
442 HA SER 54 HA SER 54 18.959 3.060 -2.617
443 1HB SER 54 1HB SER 54 20.858 4.405 -3.266
444 2HB SER 54 2HB SER 54 19.657 4.526 -4.552
445 HG SER 54 HG SER 54 18.967 6.429 -3.058
446 H ARG 55 H ARG 55 17.257 3.926 -0.610
447 HA ARG 55 HA ARG 55 19.151 5.337 1.225
448 1HB ARG 55 1HB ARG 55 17.125 6.705 0.553
449 2HB ARG 55 2HB ARG 55 16.130 5.498 1.365
450 1HG ARG 55 1HG ARG 55 16.668 6.277 3.423
451 2HG ARG 55 2HG ARG 55 18.378 6.397 3.016
452 1HD ARG 55 1HD ARG 55 16.884 8.569 3.507
453 2HD ARG 55 2HD ARG 55 18.210 8.593 2.339
454 HE ARG 55 HE ARG 55 15.685 7.796 1.082
455 1HH1 ARG 55 1HH1 ARG 55 17.908 9.614 -0.002
456 2HH1 ARG 55 2HH1 ARG 55 17.074 11.130 -0.092
457 1HH2 ARG 55 1HH2 ARG 55 14.459 10.113 1.946
458 2HH2 ARG 55 2HH2 ARG 55 15.121 11.412 1.011
459 H SER 56 H SER 56 18.924 4.675 3.508
460 HA SER 56 HA SER 56 17.252 2.515 4.345
461 1HB SER 56 1HB SER 56 18.395 0.965 3.022
462 2HB SER 56 2HB SER 56 19.937 1.802 3.200
463 HG SER 56 HG SER 56 18.562 0.217 5.091
464 H SER 57 H SER 57 20.747 3.088 4.867
465 HA SER 57 HA SER 57 20.135 4.286 7.504
466 1HB SER 57 1HB SER 57 20.468 1.640 7.525
467 2HB SER 57 2HB SER 57 22.171 2.095 7.487
468 HG SER 57 HG SER 57 22.027 2.752 9.465
No H/Q in entry = 468
Start of MODEL 10
1 H1 ARG 1 H1 ARG 1 7.671 -2.372 -18.722
2 H2 ARG 1 H2 ARG 1 9.243 -2.130 -18.131
3 H3 ARG 1 H3 ARG 1 8.561 -3.686 -18.114
4 HA ARG 1 HA ARG 1 8.420 -2.920 -15.908
5 1HB ARG 1 1HB ARG 1 7.254 -0.398 -17.128
6 2HB ARG 1 2HB ARG 1 7.377 -0.719 -15.398
7 1HG ARG 1 1HG ARG 1 9.623 -0.342 -17.391
8 2HG ARG 1 2HG ARG 1 9.295 0.595 -15.935
9 1HD ARG 1 1HD ARG 1 9.768 -1.437 -14.559
10 2HD ARG 1 2HD ARG 1 10.182 -2.310 -16.039
11 HE ARG 1 HE ARG 1 11.763 0.077 -15.959
12 1HH1 ARG 1 1HH1 ARG 1 11.210 -2.240 -13.544
13 2HH1 ARG 1 2HH1 ARG 1 12.879 -2.650 -13.327
14 1HH2 ARG 1 1HH2 ARG 1 13.969 -0.739 -16.008
15 2HH2 ARG 1 2HH2 ARG 1 14.441 -1.800 -14.722
16 H GLN 2 H GLN 2 6.933 -4.527 -15.519
17 HA GLN 2 HA GLN 2 4.087 -3.886 -16.170
18 1HB GLN 2 1HB GLN 2 5.327 -6.652 -16.260
19 2HB GLN 2 2HB GLN 2 3.673 -6.221 -16.695
20 1HG GLN 2 1HG GLN 2 5.977 -4.869 -18.075
21 2HG GLN 2 2HG GLN 2 5.474 -6.480 -18.587
22 2HE2 GLN 2 2HE2 GLN 2 3.731 -6.563 -20.029
23 1HE2 GLN 2 1HE2 GLN 2 2.673 -5.272 -20.341
24 H GLU 3 H GLU 3 6.307 -4.391 -13.766
25 HA GLU 3 HA GLU 3 4.162 -5.303 -11.894
26 1HB GLU 3 1HB GLU 3 6.636 -6.618 -12.499
27 2HB GLU 3 2HB GLU 3 6.712 -6.025 -10.839
28 1HG GLU 3 1HG GLU 3 4.599 -7.823 -12.058
29 2HG GLU 3 2HG GLU 3 5.719 -8.217 -10.754
30 H ASP 4 H ASP 4 3.958 -2.885 -11.677
31 HA ASP 4 HA ASP 4 6.178 -1.467 -10.388
32 1HB ASP 4 1HB ASP 4 3.288 -0.677 -10.882
33 2HB ASP 4 2HB ASP 4 4.523 0.396 -10.225
34 H LYS 5 H LYS 5 3.539 -3.420 -9.411
35 HA LYS 5 HA LYS 5 3.091 -4.241 -7.243
36 1HB LYS 5 1HB LYS 5 5.485 -2.940 -6.797
37 2HB LYS 5 2HB LYS 5 4.388 -2.072 -5.739
38 1HG LYS 5 1HG LYS 5 5.339 -4.893 -5.590
39 2HG LYS 5 2HG LYS 5 5.000 -3.746 -4.301
40 1HD LYS 5 1HD LYS 5 3.155 -5.020 -3.943
41 2HD LYS 5 2HD LYS 5 2.482 -4.105 -5.284
42 1HE LYS 5 1HE LYS 5 3.504 -5.963 -6.798
43 2HE LYS 5 2HE LYS 5 3.639 -6.895 -5.305
44 1HZ LYS 5 1HZ LYS 5 1.106 -5.785 -5.322
45 2HZ LYS 5 2HZ LYS 5 1.356 -6.399 -6.886
46 3HZ LYS 5 3HZ LYS 5 1.520 -7.415 -5.535
47 H ASP 6 H ASP 6 3.393 -0.668 -7.099
48 HA ASP 6 HA ASP 6 0.927 -0.397 -5.609
49 1HB ASP 6 1HB ASP 6 1.178 2.083 -6.528
50 2HB ASP 6 2HB ASP 6 2.250 1.474 -5.267
51 H ASP 7 H ASP 7 1.299 -1.368 -8.741
52 HA ASP 7 HA ASP 7 -0.385 0.079 -10.380
53 1HB ASP 7 1HB ASP 7 -1.142 -2.127 -11.329
54 2HB ASP 7 2HB ASP 7 0.609 -2.001 -11.154
55 H LEU 8 H LEU 8 -1.216 -1.752 -7.519
56 HA LEU 8 HA LEU 8 -4.082 -1.729 -7.929
57 1HB LEU 8 1HB LEU 8 -2.693 -3.214 -6.309
58 2HB LEU 8 2HB LEU 8 -2.703 -1.818 -5.236
59 HG LEU 8 HG LEU 8 -5.376 -2.277 -6.205
60 1HD1 LEU 8 1HD1 LEU 8 -3.811 -4.674 -5.353
61 2HD1 LEU 8 2HD1 LEU 8 -5.468 -4.522 -4.774
62 3HD1 LEU 8 3HD1 LEU 8 -5.141 -4.557 -6.505
63 1HD2 LEU 8 1HD2 LEU 8 -4.039 -1.519 -3.859
64 2HD2 LEU 8 2HD2 LEU 8 -5.785 -1.612 -4.098
65 3HD2 LEU 8 3HD2 LEU 8 -4.909 -2.995 -3.440
66 H ASP 9 H ASP 9 -5.594 -0.279 -6.856
67 HA ASP 9 HA ASP 9 -4.799 2.466 -6.887
68 1HB ASP 9 1HB ASP 9 -7.225 0.941 -6.375
69 2HB ASP 9 2HB ASP 9 -7.090 2.318 -5.285
70 H VAL 10 H VAL 10 -5.159 0.135 -4.255
71 HA VAL 10 HA VAL 10 -4.401 0.148 -2.062
72 HB VAL 10 HB VAL 10 -2.841 2.611 -2.129
73 1HG1 VAL 10 1HG1 VAL 10 -2.733 0.784 -4.449
74 2HG1 VAL 10 2HG1 VAL 10 -2.211 2.463 -4.303
75 3HG1 VAL 10 3HG1 VAL 10 -1.186 1.159 -3.705
76 1HG2 VAL 10 1HG2 VAL 10 -2.540 -0.290 -1.485
77 2HG2 VAL 10 2HG2 VAL 10 -1.071 0.642 -1.776
78 3HG2 VAL 10 3HG2 VAL 10 -2.177 1.118 -0.485
79 H THR 11 H THR 11 -6.363 2.479 -3.353
80 HA THR 11 HA THR 11 -6.827 3.652 -0.651
81 HB THR 11 HB THR 11 -6.402 5.681 -1.528
82 HG1 THR 11 HG1 THR 11 -8.512 6.025 -1.799
83 1HG2 THR 11 1HG2 THR 11 -5.046 4.599 -3.280
84 2HG2 THR 11 2HG2 THR 11 -6.490 4.410 -4.277
85 3HG2 THR 11 3HG2 THR 11 -5.878 6.023 -3.910
86 H GLU 12 H GLU 12 -8.436 3.256 -3.851
87 HA GLU 12 HA GLU 12 -11.081 3.251 -2.735
88 1HB GLU 12 1HB GLU 12 -11.830 2.542 -4.873
89 2HB GLU 12 2HB GLU 12 -10.382 3.484 -5.221
90 1HG GLU 12 1HG GLU 12 -9.388 1.703 -6.165
91 2HG GLU 12 2HG GLU 12 -9.661 0.722 -4.729
92 H LEU 13 H LEU 13 -8.537 0.961 -2.914
93 HA LEU 13 HA LEU 13 -9.591 -1.549 -2.796
94 1HB LEU 13 1HB LEU 13 -7.615 -2.183 -1.748
95 2HB LEU 13 2HB LEU 13 -7.171 -0.568 -2.298
96 HG LEU 13 HG LEU 13 -8.127 -1.365 0.445
97 1HD1 LEU 13 1HD1 LEU 13 -5.736 -1.813 -0.111
98 2HD1 LEU 13 2HD1 LEU 13 -5.545 -0.117 -0.550
99 3HD1 LEU 13 3HD1 LEU 13 -5.893 -0.556 1.117
100 1HD2 LEU 13 1HD2 LEU 13 -8.954 0.918 -0.476
101 2HD2 LEU 13 2HD2 LEU 13 -8.168 0.891 1.095
102 3HD2 LEU 13 3HD2 LEU 13 -7.271 1.415 -0.326
103 H THR 14 H THR 14 -10.074 -2.978 -0.875
104 HA THR 14 HA THR 14 -12.159 -1.647 0.718
105 HB THR 14 HB THR 14 -12.646 -3.997 1.492
106 HG1 THR 14 HG1 THR 14 -10.412 -4.657 1.078
107 1HG2 THR 14 1HG2 THR 14 -12.675 -3.067 -1.337
108 2HG2 THR 14 2HG2 THR 14 -13.061 -4.764 -1.046
109 3HG2 THR 14 3HG2 THR 14 -14.020 -3.497 -0.280
110 H ASN 15 H ASN 15 -12.270 -2.692 3.108
111 HA ASN 15 HA ASN 15 -9.775 -1.798 4.400
112 1HB ASN 15 1HB ASN 15 -11.115 -1.988 6.500
113 2HB ASN 15 2HB ASN 15 -11.849 -0.924 5.300
114 2HD2 ASN 15 2HD2 ASN 15 -13.737 -1.772 4.093
115 1HD2 ASN 15 1HD2 ASN 15 -14.635 -3.074 4.706
116 H GLU 16 H GLU 16 -11.881 -4.700 4.570
117 HA GLU 16 HA GLU 16 -9.989 -6.162 6.195
118 1HB GLU 16 1HB GLU 16 -12.443 -6.640 6.102
119 2HB GLU 16 2HB GLU 16 -12.225 -7.248 4.463
120 1HG GLU 16 1HG GLU 16 -10.527 -8.870 5.372
121 2HG GLU 16 2HG GLU 16 -10.970 -8.344 6.996
122 H ASP 17 H ASP 17 -10.090 -5.441 2.859
123 HA ASP 17 HA ASP 17 -8.498 -7.855 2.180
124 1HB ASP 17 1HB ASP 17 -10.480 -6.834 0.766
125 2HB ASP 17 2HB ASP 17 -9.217 -5.766 0.158
126 H LEU 18 H LEU 18 -8.068 -4.414 2.715
127 HA LEU 18 HA LEU 18 -5.444 -4.480 1.370
128 1HB LEU 18 1HB LEU 18 -5.265 -2.197 1.752
129 2HB LEU 18 2HB LEU 18 -6.988 -2.433 1.477
130 HG LEU 18 HG LEU 18 -7.134 -2.653 4.058
131 1HD1 LEU 18 1HD1 LEU 18 -4.346 -2.107 3.672
132 2HD1 LEU 18 2HD1 LEU 18 -5.076 -0.752 4.530
133 3HD1 LEU 18 3HD1 LEU 18 -5.203 -2.384 5.187
134 1HD2 LEU 18 1HD2 LEU 18 -7.955 -0.755 2.582
135 2HD2 LEU 18 2HD2 LEU 18 -7.533 -0.292 4.229
136 3HD2 LEU 18 3HD2 LEU 18 -6.422 0.051 2.906
137 H LEU 19 H LEU 19 -6.676 -5.288 4.393
138 HA LEU 19 HA LEU 19 -4.482 -4.503 6.054
139 1HB LEU 19 1HB LEU 19 -6.483 -6.773 6.227
140 2HB LEU 19 2HB LEU 19 -5.191 -6.609 7.410
141 HG LEU 19 HG LEU 19 -7.546 -4.803 6.923
142 1HD1 LEU 19 1HD1 LEU 19 -6.197 -6.135 9.280
143 2HD1 LEU 19 2HD1 LEU 19 -7.440 -4.897 9.483
144 3HD1 LEU 19 3HD1 LEU 19 -7.829 -6.411 8.666
145 1HD2 LEU 19 1HD2 LEU 19 -4.815 -4.023 7.895
146 2HD2 LEU 19 2HD2 LEU 19 -5.969 -3.093 6.930
147 3HD2 LEU 19 3HD2 LEU 19 -6.229 -3.308 8.660
148 H ASP 20 H ASP 20 -4.825 -6.823 3.547
149 HA ASP 20 HA ASP 20 -2.624 -8.543 4.434
150 1HB ASP 20 1HB ASP 20 -4.568 -9.348 3.029
151 2HB ASP 20 2HB ASP 20 -3.912 -8.402 1.693
152 H GLN 21 H GLN 21 -2.940 -5.589 2.720
153 HA GLN 21 HA GLN 21 -0.336 -5.848 1.371
154 1HB GLN 21 1HB GLN 21 -2.400 -3.593 1.430
155 2HB GLN 21 2HB GLN 21 -0.877 -3.520 0.572
156 1HG GLN 21 1HG GLN 21 -2.487 -5.910 -0.028
157 2HG GLN 21 2HG GLN 21 -3.198 -4.384 -0.546
158 2HE2 GLN 21 2HE2 GLN 21 -1.889 -3.017 -2.093
159 1HE2 GLN 21 1HE2 GLN 21 -0.675 -3.756 -3.017
160 H LEU 22 H LEU 22 -1.771 -4.465 4.206
161 HA LEU 22 HA LEU 22 0.648 -2.818 4.688
162 1HB LEU 22 1HB LEU 22 -2.139 -2.874 5.751
163 2HB LEU 22 2HB LEU 22 -0.873 -2.364 6.859
164 HG LEU 22 HG LEU 22 -0.254 -1.010 4.536
165 1HD1 LEU 22 1HD1 LEU 22 -2.531 -1.759 3.689
166 2HD1 LEU 22 2HD1 LEU 22 -3.235 -0.779 4.975
167 3HD1 LEU 22 3HD1 LEU 22 -2.280 -0.016 3.704
168 1HD2 LEU 22 1HD2 LEU 22 -0.674 -0.383 7.139
169 2HD2 LEU 22 2HD2 LEU 22 -0.458 0.825 5.887
170 3HD2 LEU 22 3HD2 LEU 22 -2.080 0.378 6.409
171 H VAL 23 H VAL 23 -1.099 -5.603 5.952
172 HA VAL 23 HA VAL 23 0.642 -5.816 8.273
173 HB VAL 23 HB VAL 23 -1.370 -7.746 7.081
174 1HG1 VAL 23 1HG1 VAL 23 0.374 -7.869 9.536
175 2HG1 VAL 23 2HG1 VAL 23 -1.190 -8.682 9.511
176 3HG1 VAL 23 3HG1 VAL 23 0.054 -9.129 8.344
177 1HG2 VAL 23 1HG2 VAL 23 -2.064 -5.457 8.123
178 2HG2 VAL 23 2HG2 VAL 23 -2.905 -6.908 8.666
179 3HG2 VAL 23 3HG2 VAL 23 -1.628 -6.202 9.661
180 H LYS 24 H LYS 24 1.542 -6.171 5.201
181 HA LYS 24 HA LYS 24 3.133 -8.569 5.942
182 1HB LYS 24 1HB LYS 24 3.379 -8.917 3.396
183 2HB LYS 24 2HB LYS 24 1.823 -9.321 4.127
184 1HG LYS 24 1HG LYS 24 0.941 -7.153 3.509
185 2HG LYS 24 2HG LYS 24 2.480 -6.657 2.860
186 1HD LYS 24 1HD LYS 24 0.916 -9.026 1.825
187 2HD LYS 24 2HD LYS 24 0.931 -7.431 1.070
188 1HE LYS 24 1HE LYS 24 2.866 -7.923 0.023
189 2HE LYS 24 2HE LYS 24 3.648 -8.236 1.576
190 1HZ LYS 24 1HZ LYS 24 1.866 -10.335 0.775
191 2HZ LYS 24 2HZ LYS 24 3.119 -10.087 -0.345
192 3HZ LYS 24 3HZ LYS 24 3.486 -10.421 1.277
193 H TYR 25 H TYR 25 3.382 -5.708 3.787
194 HA TYR 25 HA TYR 25 6.195 -5.876 3.496
195 1HB TYR 25 1HB TYR 25 4.330 -3.500 3.664
196 2HB TYR 25 2HB TYR 25 6.072 -3.300 3.477
197 HD1 TYR 25 HD1 TYR 25 7.228 -4.490 1.534
198 HD2 TYR 25 HD2 TYR 25 2.976 -4.019 1.811
199 HE1 TYR 25 HE1 TYR 25 7.023 -4.959 -0.895
200 HE2 TYR 25 HE2 TYR 25 2.760 -4.498 -0.616
201 HH TYR 25 HH TYR 25 5.624 -4.895 -2.666
202 H GLY 26 H GLY 26 4.220 -5.379 6.238
203 1HA GLY 26 1HA GLY 26 6.597 -4.668 7.858
204 2HA GLY 26 2HA GLY 26 5.277 -5.725 8.404
205 H VAL 27 H VAL 27 3.217 -4.133 7.150
206 HA VAL 27 HA VAL 27 3.445 -1.587 8.744
207 HB VAL 27 HB VAL 27 1.553 -2.120 6.436
208 1HG1 VAL 27 1HG1 VAL 27 0.861 -0.391 8.091
209 2HG1 VAL 27 2HG1 VAL 27 2.390 0.449 7.808
210 3HG1 VAL 27 3HG1 VAL 27 1.215 0.301 6.500
211 1HG2 VAL 27 1HG2 VAL 27 4.326 -1.799 6.301
212 2HG2 VAL 27 2HG2 VAL 27 3.179 -1.521 4.977
213 3HG2 VAL 27 3HG2 VAL 27 3.688 -0.179 6.007
214 H ASN 28 H ASN 28 2.023 -1.183 10.376
215 HA ASN 28 HA ASN 28 -0.337 -3.005 10.590
216 1HB ASN 28 1HB ASN 28 1.042 -1.888 13.025
217 2HB ASN 28 2HB ASN 28 -0.036 -3.281 12.897
218 2HD2 ASN 28 2HD2 ASN 28 2.080 -4.139 14.169
219 1HD2 ASN 28 1HD2 ASN 28 3.243 -4.888 13.178
220 HA PRO 29 HA PRO 29 -1.894 1.266 10.541
221 1HB PRO 29 1HB PRO 29 -4.162 0.554 9.089
222 2HB PRO 29 2HB PRO 29 -2.649 0.928 8.292
223 1HG PRO 29 1HG PRO 29 -3.895 -1.643 8.636
224 2HG PRO 29 2HG PRO 29 -2.717 -1.081 7.438
225 1HD PRO 29 1HD PRO 29 -2.131 -2.691 9.693
226 2HD PRO 29 2HD PRO 29 -0.952 -1.896 8.665
227 H GLY 30 H GLY 30 -2.703 -1.527 12.107
228 1HA GLY 30 1HA GLY 30 -4.134 -0.488 14.198
229 2HA GLY 30 2HA GLY 30 -4.404 -2.128 13.631
230 HA PRO 31 HA PRO 31 -8.330 0.232 13.077
231 1HB PRO 31 1HB PRO 31 -8.279 2.942 13.477
232 2HB PRO 31 2HB PRO 31 -8.405 1.758 14.778
233 1HG PRO 31 1HG PRO 31 -6.106 3.447 13.939
234 2HG PRO 31 2HG PRO 31 -6.444 2.722 15.519
235 1HD PRO 31 1HD PRO 31 -4.615 1.774 13.556
236 2HD PRO 31 2HD PRO 31 -5.124 0.897 15.007
237 H ILE 32 H ILE 32 -8.255 -0.221 10.787
238 HA ILE 32 HA ILE 32 -7.482 1.979 8.956
239 HB ILE 32 HB ILE 32 -8.659 -0.778 8.449
240 1HG1 ILE 32 1HG1 ILE 32 -6.071 -0.219 9.178
241 2HG1 ILE 32 2HG1 ILE 32 -6.550 -1.579 8.179
242 1HG2 ILE 32 1HG2 ILE 32 -8.150 1.565 6.699
243 2HG2 ILE 32 2HG2 ILE 32 -7.752 -0.025 6.045
244 3HG2 ILE 32 3HG2 ILE 32 -9.390 0.319 6.586
245 1HD1 ILE 32 1HD1 ILE 32 -6.074 1.012 6.787
246 2HD1 ILE 32 2HD1 ILE 32 -4.670 0.124 7.369
247 3HD1 ILE 32 3HD1 ILE 32 -5.781 -0.637 6.248
248 H VAL 33 H VAL 33 -9.374 2.976 10.502
249 HA VAL 33 HA VAL 33 -12.080 2.482 10.067
250 HB VAL 33 HB VAL 33 -12.240 5.130 10.220
251 1HG1 VAL 33 1HG1 VAL 33 -12.143 3.008 12.041
252 2HG1 VAL 33 2HG1 VAL 33 -11.019 4.200 12.695
253 3HG1 VAL 33 3HG1 VAL 33 -12.696 4.649 12.379
254 1HG2 VAL 33 1HG2 VAL 33 -9.564 4.972 9.777
255 2HG2 VAL 33 2HG2 VAL 33 -10.318 6.278 10.688
256 3HG2 VAL 33 3HG2 VAL 33 -9.592 4.917 11.539
257 H GLY 34 H GLY 34 -13.542 4.136 8.710
258 1HA GLY 34 1HA GLY 34 -14.308 4.568 6.531
259 2HA GLY 34 2HA GLY 34 -12.973 3.582 5.937
260 H THR 35 H THR 35 -11.606 5.845 7.912
261 HA THR 35 HA THR 35 -11.331 7.843 5.723
262 HB THR 35 HB THR 35 -10.221 8.947 8.027
263 HG1 THR 35 HG1 THR 35 -12.662 7.645 8.638
264 1HG2 THR 35 1HG2 THR 35 -11.646 10.059 6.324
265 2HG2 THR 35 2HG2 THR 35 -13.053 9.226 6.985
266 3HG2 THR 35 3HG2 THR 35 -12.183 10.405 7.967
267 H THR 36 H THR 36 -9.756 5.222 6.908
268 HA THR 36 HA THR 36 -7.078 6.475 6.772
269 HB THR 36 HB THR 36 -6.359 4.117 7.494
270 HG1 THR 36 HG1 THR 36 -9.038 3.953 8.318
271 1HG2 THR 36 1HG2 THR 36 -8.082 5.952 9.157
272 2HG2 THR 36 2HG2 THR 36 -7.119 4.639 9.849
273 3HG2 THR 36 3HG2 THR 36 -6.323 5.978 9.002
274 H ARG 37 H ARG 37 -8.725 3.634 5.304
275 HA ARG 37 HA ARG 37 -6.984 2.577 3.601
276 1HB ARG 37 1HB ARG 37 -9.619 3.691 2.637
277 2HB ARG 37 2HB ARG 37 -8.633 2.568 1.723
278 1HG ARG 37 1HG ARG 37 -9.951 1.013 2.743
279 2HG ARG 37 2HG ARG 37 -8.759 1.185 4.033
280 1HD ARG 37 1HD ARG 37 -11.582 1.707 4.232
281 2HD ARG 37 2HD ARG 37 -10.373 2.023 5.468
282 HE ARG 37 HE ARG 37 -10.159 4.315 4.595
283 1HH1 ARG 37 1HH1 ARG 37 -10.930 5.689 2.824
284 2HH1 ARG 37 2HH1 ARG 37 -12.611 5.564 2.429
285 1HH2 ARG 37 1HH2 ARG 37 -13.122 2.700 4.308
286 2HH2 ARG 37 2HH2 ARG 37 -13.848 3.876 3.267
287 H LYS 38 H LYS 38 -8.275 5.852 2.941
288 HA LYS 38 HA LYS 38 -6.702 6.299 0.594
289 1HB LYS 38 1HB LYS 38 -8.658 7.715 1.500
290 2HB LYS 38 2HB LYS 38 -7.470 8.446 2.581
291 1HG LYS 38 1HG LYS 38 -6.084 9.030 0.588
292 2HG LYS 38 2HG LYS 38 -7.363 8.395 -0.448
293 1HD LYS 38 1HD LYS 38 -8.021 10.467 1.629
294 2HD LYS 38 2HD LYS 38 -7.304 10.965 0.096
295 1HE LYS 38 1HE LYS 38 -9.577 11.051 -0.418
296 2HE LYS 38 2HE LYS 38 -9.170 9.416 -0.939
297 1HZ LYS 38 1HZ LYS 38 -9.964 9.790 1.847
298 2HZ LYS 38 2HZ LYS 38 -11.182 9.905 0.669
299 3HZ LYS 38 3HZ LYS 38 -10.257 8.487 0.802
300 H LEU 39 H LEU 39 -6.182 7.402 3.952
301 HA LEU 39 HA LEU 39 -3.610 8.464 3.718
302 1HB LEU 39 1HB LEU 39 -5.274 8.023 5.825
303 2HB LEU 39 2HB LEU 39 -4.121 6.721 6.083
304 HG LEU 39 HG LEU 39 -3.439 9.651 5.829
305 1HD1 LEU 39 1HD1 LEU 39 -3.315 7.715 8.164
306 2HD1 LEU 39 2HD1 LEU 39 -2.756 9.387 8.199
307 3HD1 LEU 39 3HD1 LEU 39 -4.472 9.035 7.986
308 1HD2 LEU 39 1HD2 LEU 39 -1.826 7.117 5.932
309 2HD2 LEU 39 2HD2 LEU 39 -1.552 8.557 4.952
310 3HD2 LEU 39 3HD2 LEU 39 -1.171 8.576 6.676
311 H TYR 40 H TYR 40 -4.295 5.134 4.794
312 HA TYR 40 HA TYR 40 -1.611 4.238 4.603
313 1HB TYR 40 1HB TYR 40 -4.297 2.873 4.639
314 2HB TYR 40 2HB TYR 40 -2.819 1.936 4.447
315 HD1 TYR 40 HD1 TYR 40 -0.848 2.859 6.073
316 HD2 TYR 40 HD2 TYR 40 -5.056 3.067 6.818
317 HE1 TYR 40 HE1 TYR 40 -0.395 3.053 8.504
318 HE2 TYR 40 HE2 TYR 40 -4.626 3.271 9.254
319 HH TYR 40 HH TYR 40 -3.083 3.327 10.846
320 H GLU 41 H GLU 41 -3.964 4.805 2.158
321 HA GLU 41 HA GLU 41 -3.221 2.993 0.150
322 1HB GLU 41 1HB GLU 41 -4.541 4.306 -1.198
323 2HB GLU 41 2HB GLU 41 -4.920 5.143 0.307
324 1HG GLU 41 1HG GLU 41 -3.095 6.729 -0.099
325 2HG GLU 41 2HG GLU 41 -2.680 5.848 -1.562
326 H LYS 42 H LYS 42 -1.518 5.794 1.391
327 HA LYS 42 HA LYS 42 0.575 5.416 -0.686
328 1HB LYS 42 1HB LYS 42 0.035 7.661 1.293
329 2HB LYS 42 2HB LYS 42 1.370 7.640 0.150
330 1HG LYS 42 1HG LYS 42 -1.525 7.423 -0.688
331 2HG LYS 42 2HG LYS 42 -0.661 8.956 -0.600
332 1HD LYS 42 1HD LYS 42 0.464 8.546 -2.513
333 2HD LYS 42 2HD LYS 42 0.830 6.894 -2.029
334 1HE LYS 42 1HE LYS 42 -1.995 7.190 -2.607
335 2HE LYS 42 2HE LYS 42 -1.016 7.691 -3.985
336 1HZ LYS 42 1HZ LYS 42 0.230 5.451 -3.112
337 2HZ LYS 42 2HZ LYS 42 -1.406 5.064 -2.886
338 3HZ LYS 42 3HZ LYS 42 -0.851 5.529 -4.422
339 H LYS 43 H LYS 43 0.131 5.802 2.838
340 HA LYS 43 HA LYS 43 2.720 5.586 3.771
341 1HB LYS 43 1HB LYS 43 0.136 5.166 4.886
342 2HB LYS 43 2HB LYS 43 1.152 3.799 5.367
343 1HG LYS 43 1HG LYS 43 1.752 5.266 7.030
344 2HG LYS 43 2HG LYS 43 2.910 5.775 5.806
345 1HD LYS 43 1HD LYS 43 0.221 7.059 5.727
346 2HD LYS 43 2HD LYS 43 1.281 7.511 7.060
347 1HE LYS 43 1HE LYS 43 1.820 7.778 4.095
348 2HE LYS 43 2HE LYS 43 1.773 9.055 5.309
349 1HZ LYS 43 1HZ LYS 43 3.656 7.610 6.371
350 2HZ LYS 43 2HZ LYS 43 3.862 7.074 4.773
351 3HZ LYS 43 3HZ LYS 43 4.005 8.725 5.138
352 H LEU 44 H LEU 44 0.688 2.906 2.629
353 HA LEU 44 HA LEU 44 2.875 1.027 3.176
354 1HB LEU 44 1HB LEU 44 1.142 -0.319 3.563
355 2HB LEU 44 2HB LEU 44 0.027 0.933 3.025
356 HG LEU 44 HG LEU 44 0.641 0.176 0.655
357 1HD1 LEU 44 1HD1 LEU 44 -0.925 -1.522 2.597
358 2HD1 LEU 44 2HD1 LEU 44 -1.535 -0.174 1.638
359 3HD1 LEU 44 3HD1 LEU 44 -1.049 -1.671 0.843
360 1HD2 LEU 44 1HD2 LEU 44 2.149 -1.673 2.340
361 2HD2 LEU 44 2HD2 LEU 44 1.019 -2.543 1.286
362 3HD2 LEU 44 3HD2 LEU 44 2.225 -1.460 0.584
363 H LEU 45 H LEU 45 1.537 2.884 0.599
364 HA LEU 45 HA LEU 45 2.422 1.293 -1.614
365 1HB LEU 45 1HB LEU 45 0.885 3.457 -1.472
366 2HB LEU 45 2HB LEU 45 2.405 4.269 -1.827
367 HG LEU 45 HG LEU 45 1.884 1.892 -3.491
368 1HD1 LEU 45 1HD1 LEU 45 3.664 3.767 -3.674
369 2HD1 LEU 45 2HD1 LEU 45 2.867 3.237 -5.153
370 3HD1 LEU 45 3HD1 LEU 45 2.363 4.733 -4.367
371 1HD2 LEU 45 1HD2 LEU 45 -0.299 3.566 -2.974
372 2HD2 LEU 45 2HD2 LEU 45 0.346 4.126 -4.520
373 3HD2 LEU 45 3HD2 LEU 45 -0.135 2.443 -4.330
374 H LYS 46 H LYS 46 4.093 3.510 0.550
375 HA LYS 46 HA LYS 46 6.384 3.844 -1.204
376 1HB LYS 46 1HB LYS 46 5.614 5.122 1.061
377 2HB LYS 46 2HB LYS 46 6.784 3.996 1.747
378 1HG LYS 46 1HG LYS 46 8.121 5.841 1.181
379 2HG LYS 46 2HG LYS 46 8.322 4.780 -0.213
380 1HD LYS 46 1HD LYS 46 7.344 6.274 -1.594
381 2HD LYS 46 2HD LYS 46 5.982 6.494 -0.494
382 1HE LYS 46 1HE LYS 46 8.673 7.882 -0.390
383 2HE LYS 46 2HE LYS 46 7.096 8.622 -0.669
384 1HZ LYS 46 1HZ LYS 46 6.670 7.396 1.653
385 2HZ LYS 46 2HZ LYS 46 8.323 7.754 1.812
386 3HZ LYS 46 3HZ LYS 46 7.210 9.001 1.528
387 H LEU 47 H LEU 47 6.119 2.007 1.879
388 HA LEU 47 HA LEU 47 8.408 0.404 1.623
389 1HB LEU 47 1HB LEU 47 5.632 -0.471 2.492
390 2HB LEU 47 2HB LEU 47 7.123 -1.348 2.844
391 HG LEU 47 HG LEU 47 6.912 1.531 3.651
392 1HD1 LEU 47 1HD1 LEU 47 8.359 -0.962 4.523
393 2HD1 LEU 47 2HD1 LEU 47 9.022 0.627 4.137
394 3HD1 LEU 47 3HD1 LEU 47 8.159 0.376 5.655
395 1HD2 LEU 47 1HD2 LEU 47 5.047 -0.493 4.434
396 2HD2 LEU 47 2HD2 LEU 47 6.096 -0.159 5.815
397 3HD2 LEU 47 3HD2 LEU 47 5.191 1.153 5.058
398 H ARG 48 H ARG 48 5.368 0.349 0.006
399 HA ARG 48 HA ARG 48 5.643 -2.174 -1.373
400 1HB ARG 48 1HB ARG 48 3.480 -1.094 -0.855
401 2HB ARG 48 2HB ARG 48 3.906 0.257 -1.893
402 1HG ARG 48 1HG ARG 48 4.286 -1.933 -3.535
403 2HG ARG 48 2HG ARG 48 2.846 -2.361 -2.605
404 1HD ARG 48 1HD ARG 48 3.034 0.431 -3.638
405 2HD ARG 48 2HD ARG 48 2.700 -0.836 -4.802
406 HE ARG 48 HE ARG 48 0.840 0.137 -2.786
407 1HH1 ARG 48 1HH1 ARG 48 -1.260 -0.663 -3.190
408 2HH1 ARG 48 2HH1 ARG 48 -1.437 -2.259 -3.838
409 1HH2 ARG 48 1HH2 ARG 48 1.969 -2.740 -4.261
410 2HH2 ARG 48 2HH2 ARG 48 0.398 -3.436 -4.459
411 H GLU 49 H GLU 49 4.917 0.553 -3.390
412 HA GLU 49 HA GLU 49 5.822 0.859 -5.586
413 1HB GLU 49 1HB GLU 49 7.589 2.033 -3.452
414 2HB GLU 49 2HB GLU 49 7.988 2.254 -5.157
415 1HG GLU 49 1HG GLU 49 5.908 3.354 -5.593
416 2HG GLU 49 2HG GLU 49 5.252 2.876 -4.028
417 H GLN 50 H GLN 50 6.264 -1.353 -6.199
418 HA GLN 50 HA GLN 50 8.431 -2.967 -5.683
419 1HB GLN 50 1HB GLN 50 7.026 -3.872 -7.297
420 2HB GLN 50 2HB GLN 50 6.909 -2.364 -8.195
421 1HG GLN 50 1HG GLN 50 9.626 -3.539 -8.133
422 2HG GLN 50 2HG GLN 50 8.423 -4.515 -8.973
423 2HE2 GLN 50 2HE2 GLN 50 9.856 -3.822 -10.920
424 1HE2 GLN 50 1HE2 GLN 50 9.468 -2.352 -11.675
425 H GLY 51 H GLY 51 8.468 -0.309 -8.092
426 1HA GLY 51 1HA GLY 51 10.265 0.943 -8.934
427 2HA GLY 51 2HA GLY 51 11.243 -0.509 -8.710
428 H THR 52 H THR 52 10.880 2.661 -7.727
429 HA THR 52 HA THR 52 11.662 3.885 -5.871
430 HB THR 52 HB THR 52 12.081 1.279 -4.403
431 HG1 THR 52 HG1 THR 52 9.875 1.603 -3.716
432 1HG2 THR 52 1HG2 THR 52 12.812 3.576 -3.513
433 2HG2 THR 52 2HG2 THR 52 11.091 3.939 -3.371
434 3HG2 THR 52 3HG2 THR 52 11.789 2.604 -2.456
435 H GLU 53 H GLU 53 13.315 2.197 -7.929
436 HA GLU 53 HA GLU 53 15.806 1.548 -6.709
437 1HB GLU 53 1HB GLU 53 16.687 2.098 -9.127
438 2HB GLU 53 2HB GLU 53 15.652 0.701 -8.863
439 1HG GLU 53 1HG GLU 53 15.141 2.409 -10.821
440 2HG GLU 53 2HG GLU 53 13.821 1.689 -9.896
441 H SER 54 H SER 54 14.373 4.609 -7.091
442 HA SER 54 HA SER 54 15.244 6.775 -6.745
443 1HB SER 54 1HB SER 54 17.577 5.169 -5.657
444 2HB SER 54 2HB SER 54 17.352 6.904 -5.441
445 HG SER 54 HG SER 54 15.835 4.766 -4.416
446 H ARG 55 H ARG 55 15.372 6.655 -9.274
447 HA ARG 55 HA ARG 55 18.231 6.952 -10.082
448 1HB ARG 55 1HB ARG 55 16.495 4.924 -10.933
449 2HB ARG 55 2HB ARG 55 16.463 6.107 -12.245
450 1HG ARG 55 1HG ARG 55 18.826 6.010 -12.540
451 2HG ARG 55 2HG ARG 55 19.058 5.167 -11.011
452 1HD ARG 55 1HD ARG 55 19.020 3.895 -13.401
453 2HD ARG 55 2HD ARG 55 18.511 3.125 -11.896
454 HE ARG 55 HE ARG 55 16.300 4.533 -13.234
455 1HH1 ARG 55 1HH1 ARG 55 16.874 1.722 -11.747
456 2HH1 ARG 55 2HH1 ARG 55 16.226 0.671 -12.963
457 1HH2 ARG 55 1HH2 ARG 55 16.037 3.149 -15.381
458 2HH2 ARG 55 2HH2 ARG 55 15.753 1.479 -15.019
459 H SER 56 H SER 56 16.750 9.141 -9.268
460 HA SER 56 HA SER 56 15.806 10.412 -11.795
461 1HB SER 56 1HB SER 56 14.392 10.388 -9.625
462 2HB SER 56 2HB SER 56 15.537 11.589 -9.030
463 HG SER 56 HG SER 56 13.493 12.180 -10.343
464 H SER 57 H SER 57 16.238 13.081 -11.142
465 HA SER 57 HA SER 57 18.742 13.803 -10.094
466 1HB SER 57 1HB SER 57 19.841 12.376 -11.686
467 2HB SER 57 2HB SER 57 18.845 12.983 -13.008
468 HG SER 57 HG SER 57 20.953 14.225 -11.637
No H/Q in entry = 468