Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1612 | 1aqs RC | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLN 1 2H GLN 1 13.472 6.494 -9.627
2 2H GLN 1 1H GLN 1 13.299 7.949 -10.487
3 3H GLN 1 3H GLN 1 14.845 7.308 -10.208
4 HA GLN 1 HA GLN 1 14.817 7.855 -7.946
5 1HB GLN 1 2HB GLN 1 14.331 10.259 -8.077
6 2HB GLN 1 1HB GLN 1 15.059 9.716 -9.589
7 1HG GLN 1 2HG GLN 1 13.135 10.032 -10.787
8 2HG GLN 1 1HG GLN 1 12.099 9.553 -9.442
9 1HE2 GLN 1 2HE2 GLN 1 11.359 13.069 -9.433
10 2HE2 GLN 1 1HE2 GLN 1 10.826 11.574 -10.036
11 H ASN 2 H ASN 2 11.658 7.517 -9.359
12 HA ASN 2 HA ASN 2 10.429 7.753 -6.630
13 1HB ASN 2 2HB ASN 2 9.807 9.531 -8.259
14 2HB ASN 2 1HB ASN 2 9.225 8.286 -9.366
15 1HD2 ASN 2 2HD2 ASN 2 6.292 7.570 -7.426
16 2HD2 ASN 2 1HD2 ASN 2 7.378 6.903 -8.548
17 H GLU 3 H GLU 3 9.927 5.715 -5.923
18 HA GLU 3 HA GLU 3 8.622 3.837 -7.845
19 1HB GLU 3 2HB GLU 3 11.277 3.694 -7.048
20 2HB GLU 3 1HB GLU 3 10.470 2.575 -5.948
21 1HG GLU 3 2HG GLU 3 9.372 1.507 -7.935
22 2HG GLU 3 1HG GLU 3 10.349 2.543 -8.976
23 H GLY 4 H GLY 4 9.762 3.716 -4.453
24 1HA GLY 4 2HA GLY 4 7.025 2.825 -3.669
25 2HA GLY 4 1HA GLY 4 8.497 2.522 -2.743
26 H HIS 5 H HIS 5 6.367 3.623 -1.386
27 HA HIS 5 HA HIS 5 7.453 6.324 -0.770
28 1HB HIS 5 2HB HIS 5 4.800 6.846 -0.587
29 2HB HIS 5 1HB HIS 5 5.732 7.152 -2.048
30 HD1 HIS 5 HD1 HIS 5 2.873 5.237 -0.786
31 HD2 HIS 5 HD2 HIS 5 5.495 4.930 -4.013
32 HE1 HIS 5 HE1 HIS 5 1.784 3.679 -2.462
33 H GLU 6 H GLU 6 4.346 5.167 0.339
34 HA GLU 6 HA GLU 6 5.439 3.958 2.783
35 1HB GLU 6 2HB GLU 6 4.767 6.780 2.537
36 2HB GLU 6 1HB GLU 6 3.802 6.000 3.791
37 1HG GLU 6 2HG GLU 6 5.984 4.987 4.651
38 2HG GLU 6 1HG GLU 6 6.816 6.106 3.571
39 H CYS 7 HN CNP 7 4.044 2.168 2.273
40 HA CYS 7 HA CNP 7 1.243 2.558 1.759
41 1HB CYS 7 2HB CNP 7 1.992 0.703 0.731
42 2HB CYS 7 1HB CNP 7 3.226 0.351 1.876
43 H GLN 8 H GLN 8 0.561 3.699 3.639
44 HA GLN 8 HA GLN 8 0.840 2.365 6.259
45 1HB GLN 8 2HB GLN 8 -0.236 4.926 5.126
46 2HB GLN 8 1HB GLN 8 -0.949 4.353 6.635
47 1HG GLN 8 2HG GLN 8 2.016 4.777 6.150
48 2HG GLN 8 1HG GLN 8 0.966 5.861 7.063
49 1HE2 GLN 8 2HE2 GLN 8 2.231 2.363 8.766
50 2HE2 GLN 8 1HE2 GLN 8 2.503 2.655 7.116
51 H CYS 9 HN CCU 9 -0.532 1.380 3.619
52 HA CYS 9 HA CCU 9 -3.299 1.290 3.774
53 1HB CYS 9 2HB CCU 9 -1.271 -0.816 3.017
54 2HB CYS 9 1HB CCU 9 -2.952 -0.797 2.560
55 H GLN 10 H GLN 10 -4.699 0.435 5.058
56 HA GLN 10 HA GLN 10 -3.836 -1.523 7.154
57 1HB GLN 10 2HB GLN 10 -4.728 0.885 7.682
58 2HB GLN 10 1HB GLN 10 -6.300 0.230 7.223
59 1HG GLN 10 2HG GLN 10 -5.431 -1.733 8.886
60 2HG GLN 10 1HG GLN 10 -4.643 -0.333 9.616
61 1HE2 GLN 10 2HE2 GLN 10 -8.347 -0.852 10.673
62 2HE2 GLN 10 1HE2 GLN 10 -7.176 -2.036 10.349
63 H CYS 11 HN CNP 11 -4.947 -1.583 4.209
64 HA CYS 11 HA CNP 11 -7.530 -2.636 4.085
65 1HB CYS 11 2HB CNP 11 -5.011 -3.351 2.562
66 2HB CYS 11 1HB CNP 11 -6.648 -3.547 1.994
67 H GLY 12 H GLY 12 -6.938 -5.212 2.860
68 1HA GLY 12 2HA GLY 12 -6.496 -6.829 5.332
69 2HA GLY 12 1HA GLY 12 -7.521 -7.337 3.985
70 H SER 13 H SER 13 -5.394 -6.121 2.148
71 HA SER 13 HA SER 13 -3.602 -8.510 2.169
72 1HB SER 13 2HB SER 13 -4.884 -8.355 0.158
73 2HB SER 13 1HB SER 13 -4.625 -6.616 0.047
74 HG SER 13 HG SER 13 -3.054 -8.699 -0.782
75 H CYS 14 HN CCU 14 -3.594 -5.402 3.185
76 HA CYS 14 HA CCU 14 -0.831 -4.801 2.356
77 1HB CYS 14 2HB CCU 14 -3.269 -3.358 3.222
78 2HB CYS 14 1HB CCU 14 -1.727 -2.635 3.602
79 H LYS 15 H LYS 15 -2.928 -5.290 5.012
80 HA LYS 15 HA LYS 15 -1.048 -4.691 7.143
81 1HB LYS 15 2HB LYS 15 -3.779 -5.827 6.798
82 2HB LYS 15 1HB LYS 15 -2.947 -6.227 8.301
83 1HG LYS 15 2HG LYS 15 -2.465 -3.487 7.899
84 2HG LYS 15 1HG LYS 15 -4.168 -3.722 7.506
85 1HD LYS 15 2HD LYS 15 -4.440 -3.533 9.766
86 2HD LYS 15 1HD LYS 15 -3.982 -5.236 9.752
87 1HE LYS 15 2HE LYS 15 -1.574 -3.685 9.696
88 2HE LYS 15 1HE LYS 15 -2.600 -3.080 11.013
89 1HZ LYS 15 3HZ LYS 15 -2.217 -5.974 10.519
90 2HZ LYS 15 2HZ LYS 15 -1.175 -5.096 11.533
91 3HZ LYS 15 1HZ LYS 15 -2.828 -5.219 11.910
92 H ASN 16 H ASN 16 -1.862 -7.586 5.301
93 HA ASN 16 HA ASN 16 -0.269 -9.302 7.131
94 1HB ASN 16 2HB ASN 16 -2.007 -9.768 4.693
95 2HB ASN 16 1HB ASN 16 -1.134 -11.066 5.511
96 1HD2 ASN 16 2HD2 ASN 16 -3.988 -11.420 7.574
97 2HD2 ASN 16 1HD2 ASN 16 -2.984 -12.142 6.412
98 H ASN 17 H ASN 17 0.106 -7.510 4.214
99 HA ASN 17 HA ASN 17 2.503 -9.121 3.426
100 1HB ASN 17 2HB ASN 17 0.474 -7.408 2.071
101 2HB ASN 17 1HB ASN 17 2.107 -7.377 1.403
102 1HD2 ASN 17 2HD2 ASN 17 -0.223 -10.645 0.846
103 2HD2 ASN 17 1HD2 ASN 17 -0.793 -9.281 1.681
104 H GLU 18 H GLU 18 4.062 -8.232 4.874
105 HA GLU 18 HA GLU 18 4.337 -5.310 5.113
106 1HB GLU 18 2HB GLU 18 5.995 -5.900 6.769
107 2HB GLU 18 1HB GLU 18 4.634 -7.008 6.963
108 1HG GLU 18 2HG GLU 18 6.030 -8.457 5.218
109 2HG GLU 18 1HG GLU 18 7.375 -7.539 5.896
110 H GLN 19 H GLN 19 5.136 -7.364 2.728
111 HA GLN 19 HA GLN 19 7.899 -6.441 2.266
112 1HB GLN 19 2HB GLN 19 6.076 -8.536 1.332
113 2HB GLN 19 1HB GLN 19 7.016 -7.819 0.022
114 1HG GLN 19 2HG GLN 19 9.000 -8.630 0.819
115 2HG GLN 19 1HG GLN 19 8.520 -8.434 2.505
116 1HE2 GLN 19 2HE2 GLN 19 7.809 -11.973 0.600
117 2HE2 GLN 19 1HE2 GLN 19 8.387 -10.633 -0.267
118 H CYS 20 HN CCU 20 4.929 -5.107 1.820
119 HA CYS 20 HA CCU 20 5.855 -3.513 -0.519
120 1HB CYS 20 2HB CCU 20 3.576 -3.609 -1.320
121 2HB CYS 20 1HB CCU 20 4.099 -5.252 -1.000
122 H GLN 21 H GLN 21 5.391 -3.363 2.673
123 HA GLN 21 HA GLN 21 3.639 -1.045 2.918
124 1HB GLN 21 2HB GLN 21 4.155 -1.256 5.247
125 2HB GLN 21 1HB GLN 21 4.132 -2.903 4.618
126 1HG GLN 21 2HG GLN 21 6.683 -2.521 4.208
127 2HG GLN 21 1HG GLN 21 6.501 -1.207 5.371
128 1HE2 GLN 21 2HE2 GLN 21 5.077 -4.077 7.586
129 2HE2 GLN 21 1HE2 GLN 21 4.211 -2.994 6.610
130 H LYS 22 H LYS 22 6.603 -1.337 1.590
131 HA LYS 22 HA LYS 22 7.392 1.440 2.360
132 1HB LYS 22 2HB LYS 22 8.777 -1.114 2.637
133 2HB LYS 22 1HB LYS 22 9.726 0.045 1.706
134 1HG LYS 22 2HG LYS 22 8.603 1.472 3.888
135 2HG LYS 22 1HG LYS 22 9.270 -0.024 4.543
136 1HD LYS 22 2HD LYS 22 11.352 0.797 4.341
137 2HD LYS 22 1HD LYS 22 11.111 1.006 2.606
138 1HE LYS 22 2HE LYS 22 9.963 3.196 3.086
139 2HE LYS 22 1HE LYS 22 10.422 3.003 4.789
140 1HZ LYS 22 3HZ LYS 22 12.713 2.419 3.472
141 2HZ LYS 22 2HZ LYS 22 12.066 3.667 2.515
142 3HZ LYS 22 1HZ LYS 22 12.353 3.923 4.169
143 H SER 23 H SER 23 6.316 -0.484 -0.050
144 HA SER 23 HA SER 23 7.249 1.344 -2.147
145 1HB SER 23 2HB SER 23 8.565 -1.162 -1.540
146 2HB SER 23 1HB SER 23 7.887 -1.211 -3.166
147 HG SER 23 HG SER 23 9.997 0.205 -2.188
148 H CYS 24 HN CNP 24 4.647 0.755 -1.172
149 HA CYS 24 HA CNP 24 3.358 -1.216 -2.870
150 1HB CYS 24 2HB CNP 24 1.685 -0.790 -1.332
151 2HB CYS 24 1HB CNP 24 2.999 -0.092 -0.463
152 H SER 25 H SER 25 1.423 -0.316 -4.305
153 HA SER 25 HA SER 25 2.526 2.016 -5.836
154 1HB SER 25 2HB SER 25 0.753 -0.310 -6.650
155 2HB SER 25 1HB SER 25 1.321 0.954 -7.739
156 HG SER 25 HG SER 25 3.174 -0.434 -6.157
157 H CYS 26 HN CCU 26 0.835 2.496 -3.552
158 HA CYS 26 HA CCU 26 -1.706 3.382 -4.865
159 1HB CYS 26 2HB CCU 26 -1.090 2.907 -1.937
160 2HB CYS 26 1HB CCU 26 -2.674 3.126 -2.669
161 HA PRO 27 HA PRO 27 -0.448 7.515 -3.959
162 1HB PRO 27 2HB PRO 27 -2.892 8.727 -4.061
163 2HB PRO 27 1HB PRO 27 -2.049 8.147 -5.510
164 1HG PRO 27 2HG PRO 27 -4.344 6.973 -4.064
165 2HG PRO 27 1HG PRO 27 -3.938 6.911 -5.783
166 1HD PRO 27 2HD PRO 27 -3.533 4.862 -3.938
167 2HD PRO 27 1HD PRO 27 -2.780 4.982 -5.541
168 H THR 28 H THR 28 -1.755 9.420 -2.487
169 HA THR 28 HA THR 28 -1.620 8.281 0.235
170 HB THR 28 HB THR 28 -0.560 10.474 -0.605
171 HG1 THR 28 HG1 THR 28 -2.320 10.834 1.573
172 1HG2 THR 28 2HG2 THR 28 -2.966 11.016 -1.638
173 2HG2 THR 28 1HG2 THR 28 -3.191 11.770 -0.061
174 3HG2 THR 28 3HG2 THR 28 -1.875 12.297 -1.110
175 H GLY 29 H GLY 29 -3.756 7.289 -1.146
176 1HA GLY 29 2HA GLY 29 -6.019 8.365 0.439
177 2HA GLY 29 1HA GLY 29 -6.247 8.113 -1.298
178 H CYS 30 HN CCU 30 -4.012 5.999 0.188
179 HA CYS 30 HA CCU 30 -5.942 3.745 -0.123
180 1HB CYS 30 2HB CCU 30 -3.535 4.069 -1.140
181 2HB CYS 30 1HB CCU 30 -3.005 3.496 0.439
182 H ASN 31 H ASN 31 -6.506 5.177 2.125
183 HA ASN 31 HA ASN 31 -5.172 3.764 4.398
184 1HB ASN 31 2HB ASN 31 -6.307 5.616 5.701
185 2HB ASN 31 1HB ASN 31 -5.143 6.183 4.502
186 1HD2 ASN 31 2HD2 ASN 31 -7.656 8.272 3.182
187 2HD2 ASN 31 1HD2 ASN 31 -6.082 8.143 3.803
188 H SER 32 H SER 32 -7.566 2.960 2.476
189 HA SER 32 HA SER 32 -9.170 1.739 4.652
190 1HB SER 32 2HB SER 32 -9.902 4.102 3.227
191 2HB SER 32 1HB SER 32 -10.972 2.809 2.696
192 HG SER 32 HG SER 32 -11.497 4.078 4.705
193 H ASP 33 H ASP 33 -10.103 -0.223 3.991
194 HA ASP 33 HA ASP 33 -9.031 -1.559 1.699
195 1HB ASP 33 2HB ASP 33 -10.564 -3.331 2.396
196 2HB ASP 33 1HB ASP 33 -9.866 -2.575 3.828
197 H ASP 34 H ASP 34 -9.526 -0.720 -0.330
198 HA ASP 34 HA ASP 34 -12.335 -0.720 -1.172
199 1HB ASP 34 2HB ASP 34 -12.049 1.527 -2.126
200 2HB ASP 34 1HB ASP 34 -11.821 1.542 -0.380
201 H LYS 35 H LYS 35 -10.973 0.778 -3.421
202 HA LYS 35 HA LYS 35 -10.408 -1.613 -5.011
203 1HB LYS 35 2HB LYS 35 -10.864 1.313 -5.485
204 2HB LYS 35 1HB LYS 35 -9.963 0.420 -6.711
205 1HG LYS 35 2HG LYS 35 -11.880 -1.300 -6.614
206 2HG LYS 35 1HG LYS 35 -12.785 -0.055 -5.751
207 1HD LYS 35 2HD LYS 35 -13.066 1.215 -7.618
208 2HD LYS 35 1HD LYS 35 -11.436 0.884 -8.205
209 1HE LYS 35 2HE LYS 35 -12.725 -0.273 -9.784
210 2HE LYS 35 1HE LYS 35 -12.431 -1.556 -8.595
211 1HZ LYS 35 2HZ LYS 35 -14.573 -0.071 -7.645
212 2HZ LYS 35 1HZ LYS 35 -14.886 -0.331 -9.294
213 3HZ LYS 35 3HZ LYS 35 -14.614 -1.651 -8.267
214 H CYS 36 HN CCU 36 -8.806 -0.868 -2.778
215 HA CYS 36 HA CCU 36 -6.386 0.457 -3.231
216 1HB CYS 36 2HB CCU 36 -6.815 -0.390 -1.079
217 2HB CYS 36 1HB CCU 36 -7.226 -1.990 -1.687
218 HA PRO 37 HA PRO 37 -4.910 -2.313 -6.478
219 1HB PRO 37 2HB PRO 37 -3.688 -0.350 -7.932
220 2HB PRO 37 1HB PRO 37 -5.427 -0.680 -8.041
221 1HG PRO 37 2HG PRO 37 -4.034 1.576 -6.804
222 2HG PRO 37 1HG PRO 37 -5.713 1.442 -7.337
223 1HD PRO 37 2HD PRO 37 -4.680 1.237 -4.670
224 2HD PRO 37 1HD PRO 37 -6.369 1.115 -5.205
225 H CYS 38 HN CCU 38 -3.582 -2.462 -4.107
226 HA CYS 38 HA CCU 38 -0.984 -1.255 -3.991
227 1HB CYS 38 2HB CCU 38 -2.568 -2.553 -2.307
228 2HB CYS 38 1HB CCU 38 -1.618 -3.933 -2.827
229 H GLY 39 H GLY 39 0.761 -3.331 -3.621
230 1HA GLY 39 2HA GLY 39 1.744 -3.884 -6.204
231 2HA GLY 39 1HA GLY 39 2.198 -4.796 -4.764
232 H ASN 40 HN ASN 40 0.317 -6.346 -4.018
233 HA ASN 40 HA ASN 40 -1.241 -7.453 -6.278
234 1HB ASN 40 2HB ASN 40 1.360 -8.295 -5.765
235 2HB ASN 40 1HB ASN 40 0.372 -9.507 -4.950
236 1HD2 ASN 40 2HD2 ASN 40 0.001 -9.106 -9.033
237 2HD2 ASN 40 1HD2 ASN 40 0.531 -7.778 -8.118
Start of MODEL 2
1 1H GLN 1 1H GLN 1 12.679 7.508 -10.837
2 2H GLN 1 3H GLN 1 13.205 7.013 -12.371
3 3H GLN 1 2H GLN 1 12.244 8.405 -12.212
4 HA GLN 1 HA GLN 1 10.639 6.926 -12.869
5 1HB GLN 1 2HB GLN 1 10.860 4.526 -12.334
6 2HB GLN 1 1HB GLN 1 12.361 5.143 -13.027
7 1HG GLN 1 2HG GLN 1 12.174 5.382 -10.090
8 2HG GLN 1 1HG GLN 1 12.222 3.724 -10.693
9 1HE2 GLN 1 2HE2 GLN 1 15.600 5.910 -10.702
10 2HE2 GLN 1 1HE2 GLN 1 14.176 6.431 -9.941
11 H ASN 2 H ASN 2 8.844 5.707 -11.588
12 HA ASN 2 HA ASN 2 8.771 6.668 -8.746
13 1HB ASN 2 2HB ASN 2 7.440 7.823 -10.800
14 2HB ASN 2 1HB ASN 2 6.270 6.580 -10.357
15 1HD2 ASN 2 2HD2 ASN 2 6.130 7.954 -6.896
16 2HD2 ASN 2 1HD2 ASN 2 6.510 6.452 -7.589
17 H GLU 3 H GLU 3 8.985 4.652 -7.734
18 HA GLU 3 HA GLU 3 7.361 2.364 -8.712
19 1HB GLU 3 2HB GLU 3 9.775 2.849 -7.065
20 2HB GLU 3 1HB GLU 3 8.773 1.492 -6.544
21 1HG GLU 3 2HG GLU 3 9.273 0.252 -8.386
22 2HG GLU 3 1HG GLU 3 9.212 1.650 -9.460
23 H GLY 4 H GLY 4 8.133 2.778 -5.323
24 1HA GLY 4 2HA GLY 4 5.244 3.275 -4.747
25 2HA GLY 4 1HA GLY 4 6.125 2.004 -3.907
26 H HIS 5 H HIS 5 5.652 3.133 -1.874
27 HA HIS 5 HA HIS 5 7.759 5.073 -1.215
28 1HB HIS 5 2HB HIS 5 5.730 6.594 -0.335
29 2HB HIS 5 1HB HIS 5 6.359 6.748 -1.972
30 HD1 HIS 5 HD1 HIS 5 3.934 4.162 -0.515
31 HD2 HIS 5 HD2 HIS 5 4.136 6.983 -3.563
32 HE1 HIS 5 HE1 HIS 5 1.789 3.944 -1.841
33 H GLU 6 H GLU 6 4.833 5.287 0.609
34 HA GLU 6 HA GLU 6 5.890 3.275 2.568
35 1HB GLU 6 2HB GLU 6 5.177 4.950 4.319
36 2HB GLU 6 1HB GLU 6 6.502 5.506 3.296
37 1HG GLU 6 2HG GLU 6 4.030 6.199 2.025
38 2HG GLU 6 1HG GLU 6 3.968 6.744 3.701
39 H CYS 7 HN CNP 7 4.275 1.697 2.234
40 HA CYS 7 HA CNP 7 1.514 2.333 1.875
41 1HB CYS 7 2HB CNP 7 2.068 0.341 0.892
42 2HB CYS 7 1HB CNP 7 3.302 -0.042 2.004
43 H GLN 8 H GLN 8 0.937 3.552 3.706
44 HA GLN 8 HA GLN 8 1.234 2.317 6.380
45 1HB GLN 8 2HB GLN 8 0.966 4.925 5.310
46 2HB GLN 8 1HB GLN 8 -0.560 4.607 6.136
47 1HG GLN 8 2HG GLN 8 0.676 5.392 7.922
48 2HG GLN 8 1HG GLN 8 1.077 3.678 8.026
49 1HE2 GLN 8 2HE2 GLN 8 4.477 4.155 7.194
50 2HE2 GLN 8 1HE2 GLN 8 3.251 3.047 7.575
51 H CYS 9 HN CCU 9 -0.290 1.307 3.867
52 HA CYS 9 HA CCU 9 -3.067 1.484 4.123
53 1HB CYS 9 2HB CCU 9 -1.220 -0.746 3.290
54 2HB CYS 9 1HB CCU 9 -2.917 -0.662 2.927
55 H GLN 10 H GLN 10 -4.489 0.712 5.450
56 HA GLN 10 HA GLN 10 -3.683 -1.284 7.532
57 1HB GLN 10 2HB GLN 10 -4.595 1.191 7.953
58 2HB GLN 10 1HB GLN 10 -6.156 0.422 7.658
59 1HG GLN 10 2HG GLN 10 -5.269 -1.380 9.356
60 2HG GLN 10 1HG GLN 10 -4.187 -0.084 9.868
61 1HE2 GLN 10 2HE2 GLN 10 -6.701 1.555 11.699
62 2HE2 GLN 10 1HE2 GLN 10 -5.046 1.353 11.382
63 H CYS 11 HN CNP 11 -4.861 -1.286 4.574
64 HA CYS 11 HA CNP 11 -7.457 -2.320 4.524
65 1HB CYS 11 2HB CNP 11 -5.031 -3.068 2.874
66 2HB CYS 11 1HB CNP 11 -6.699 -3.168 2.382
67 H GLY 12 H GLY 12 -7.047 -4.867 3.274
68 1HA GLY 12 2HA GLY 12 -6.446 -6.540 5.671
69 2HA GLY 12 1HA GLY 12 -7.583 -6.996 4.400
70 H SER 13 H SER 13 -5.651 -5.869 2.365
71 HA SER 13 HA SER 13 -3.934 -8.297 2.197
72 1HB SER 13 2HB SER 13 -5.054 -8.125 0.181
73 2HB SER 13 1HB SER 13 -5.233 -6.379 0.322
74 HG SER 13 HG SER 13 -3.737 -6.840 -1.285
75 H CYS 14 HN CCU 14 -3.712 -5.251 3.370
76 HA CYS 14 HA CCU 14 -0.967 -4.746 2.434
77 1HB CYS 14 2HB CCU 14 -3.283 -3.234 3.476
78 2HB CYS 14 1HB CCU 14 -1.694 -2.612 3.846
79 H LYS 15 H LYS 15 -2.937 -5.292 5.179
80 HA LYS 15 HA LYS 15 -0.980 -4.868 7.253
81 1HB LYS 15 2HB LYS 15 -2.639 -5.957 8.651
82 2HB LYS 15 1HB LYS 15 -3.499 -4.977 7.464
83 1HG LYS 15 2HG LYS 15 -3.746 -7.016 6.032
84 2HG LYS 15 1HG LYS 15 -3.012 -7.966 7.325
85 1HD LYS 15 2HD LYS 15 -5.592 -6.382 7.478
86 2HD LYS 15 1HD LYS 15 -5.423 -8.136 7.537
87 1HE LYS 15 2HE LYS 15 -4.206 -7.992 9.657
88 2HE LYS 15 1HE LYS 15 -4.253 -6.219 9.587
89 1HZ LYS 15 3HZ LYS 15 -6.789 -7.586 9.206
90 2HZ LYS 15 2HZ LYS 15 -6.142 -7.667 10.775
91 3HZ LYS 15 1HZ LYS 15 -6.447 -6.159 10.056
92 H ASN 16 H ASN 16 -1.924 -7.711 5.341
93 HA ASN 16 HA ASN 16 -0.083 -9.488 6.803
94 1HB ASN 16 2HB ASN 16 -1.936 -9.719 4.420
95 2HB ASN 16 1HB ASN 16 -0.899 -11.053 4.926
96 1HD2 ASN 16 2HD2 ASN 16 -4.323 -10.394 6.914
97 2HD2 ASN 16 1HD2 ASN 16 -3.945 -9.626 5.448
98 H ASN 17 H ASN 17 -0.390 -8.585 3.339
99 HA ASN 17 HA ASN 17 2.239 -9.437 2.603
100 1HB ASN 17 2HB ASN 17 -0.072 -8.123 1.479
101 2HB ASN 17 1HB ASN 17 1.389 -7.286 0.951
102 1HD2 ASN 17 2HD2 ASN 17 2.627 -10.078 -0.922
103 2HD2 ASN 17 1HD2 ASN 17 3.096 -8.660 -0.115
104 H GLU 18 H GLU 18 3.665 -8.550 4.259
105 HA GLU 18 HA GLU 18 3.842 -5.625 4.543
106 1HB GLU 18 2HB GLU 18 5.509 -6.229 6.246
107 2HB GLU 18 1HB GLU 18 4.057 -7.212 6.438
108 1HG GLU 18 2HG GLU 18 5.566 -8.687 4.646
109 2HG GLU 18 1HG GLU 18 6.781 -8.038 5.749
110 H GLN 19 H GLN 19 4.850 -7.641 2.206
111 HA GLN 19 HA GLN 19 7.638 -6.818 1.930
112 1HB GLN 19 2HB GLN 19 5.701 -8.109 -0.018
113 2HB GLN 19 1HB GLN 19 7.456 -8.070 -0.187
114 1HG GLN 19 2HG GLN 19 7.780 -9.689 1.396
115 2HG GLN 19 1HG GLN 19 6.426 -9.139 2.383
116 1HE2 GLN 19 2HE2 GLN 19 5.729 -11.831 -0.643
117 2HE2 GLN 19 1HE2 GLN 19 7.159 -10.916 -0.653
118 H CYS 20 HN CCU 20 4.861 -5.119 1.592
119 HA CYS 20 HA CCU 20 6.036 -3.344 -0.496
120 1HB CYS 20 2HB CCU 20 3.746 -3.109 -1.347
121 2HB CYS 20 1HB CCU 20 4.225 -4.797 -1.369
122 H GLN 21 H GLN 21 5.814 -3.322 2.596
123 HA GLN 21 HA GLN 21 3.915 -1.191 3.188
124 1HB GLN 21 2HB GLN 21 6.287 -2.184 4.799
125 2HB GLN 21 1HB GLN 21 4.842 -1.389 5.422
126 1HG GLN 21 2HG GLN 21 4.332 -3.816 3.809
127 2HG GLN 21 1HG GLN 21 5.166 -4.095 5.336
128 1HE2 GLN 21 2HE2 GLN 21 1.568 -2.143 5.706
129 2HE2 GLN 21 1HE2 GLN 21 2.671 -1.635 4.521
130 H LYS 22 H LYS 22 6.702 -1.120 1.482
131 HA LYS 22 HA LYS 22 7.169 1.747 2.130
132 1HB LYS 22 2HB LYS 22 9.583 1.326 2.290
133 2HB LYS 22 1HB LYS 22 8.729 0.317 3.456
134 1HG LYS 22 2HG LYS 22 9.524 -1.553 2.493
135 2HG LYS 22 1HG LYS 22 8.895 -1.052 0.923
136 1HD LYS 22 2HD LYS 22 10.888 -0.079 0.275
137 2HD LYS 22 1HD LYS 22 11.368 0.290 1.932
138 1HE LYS 22 2HE LYS 22 11.122 -2.601 1.210
139 2HE LYS 22 1HE LYS 22 12.522 -1.713 0.575
140 1HZ LYS 22 1HZ LYS 22 11.663 -1.499 3.402
141 2HZ LYS 22 3HZ LYS 22 12.770 -2.676 2.890
142 3HZ LYS 22 2HZ LYS 22 13.145 -1.029 2.716
143 H SER 23 H SER 23 6.305 -0.336 -0.150
144 HA SER 23 HA SER 23 7.523 1.271 -2.332
145 1HB SER 23 2HB SER 23 8.348 -1.356 -1.521
146 2HB SER 23 1HB SER 23 7.593 -1.474 -3.108
147 HG SER 23 HG SER 23 8.998 0.574 -3.421
148 H CYS 24 HN CNP 24 4.784 0.740 -1.079
149 HA CYS 24 HA CNP 24 3.278 -0.737 -3.080
150 1HB CYS 24 2HB CNP 24 1.730 -0.591 -1.378
151 2HB CYS 24 1HB CNP 24 3.124 -0.153 -0.462
152 H SER 25 H SER 25 2.109 0.217 -4.807
153 HA SER 25 HA SER 25 2.753 3.063 -5.386
154 1HB SER 25 2HB SER 25 1.533 0.784 -6.976
155 2HB SER 25 1HB SER 25 1.838 2.388 -7.636
156 HG SER 25 HG SER 25 3.881 0.977 -6.313
157 H CYS 26 HN CCU 26 0.980 3.139 -3.350
158 HA CYS 26 HA CCU 26 -1.726 3.463 -4.589
159 1HB CYS 26 2HB CCU 26 -0.767 3.191 -1.723
160 2HB CYS 26 1HB CCU 26 -2.454 3.352 -2.205
161 HA PRO 27 HA PRO 27 -1.277 7.824 -4.155
162 1HB PRO 27 2HB PRO 27 -3.917 8.537 -4.110
163 2HB PRO 27 1HB PRO 27 -3.089 8.004 -5.587
164 1HG PRO 27 2HG PRO 27 -4.936 6.507 -3.807
165 2HG PRO 27 1HG PRO 27 -4.754 6.435 -5.565
166 1HD PRO 27 2HD PRO 27 -3.732 4.573 -3.818
167 2HD PRO 27 1HD PRO 27 -3.101 4.872 -5.452
168 H THR 28 H THR 28 -2.585 9.637 -2.685
169 HA THR 28 HA THR 28 -2.232 8.662 0.087
170 HB THR 28 HB THR 28 -1.201 10.781 -0.747
171 HG1 THR 28 HG1 THR 28 -1.730 10.603 1.449
172 1HG2 THR 28 3HG2 THR 28 -4.078 11.367 -1.327
173 2HG2 THR 28 2HG2 THR 28 -3.017 12.702 -0.875
174 3HG2 THR 28 1HG2 THR 28 -2.646 11.722 -2.293
175 H GLY 29 H GLY 29 -4.406 7.579 -1.191
176 1HA GLY 29 2HA GLY 29 -6.616 8.638 0.483
177 2HA GLY 29 1HA GLY 29 -6.922 8.321 -1.232
178 H CYS 30 HN CCU 30 -4.559 6.328 0.227
179 HA CYS 30 HA CCU 30 -6.353 3.979 -0.031
180 1HB CYS 30 2HB CCU 30 -3.875 4.448 -0.848
181 2HB CYS 30 1HB CCU 30 -3.473 3.892 0.774
182 H ASN 31 H ASN 31 -7.190 5.434 2.107
183 HA ASN 31 HA ASN 31 -5.895 4.333 4.553
184 1HB ASN 31 2HB ASN 31 -8.002 6.441 4.000
185 2HB ASN 31 1HB ASN 31 -7.497 5.983 5.627
186 1HD2 ASN 31 2HD2 ASN 31 -4.152 7.350 5.162
187 2HD2 ASN 31 1HD2 ASN 31 -4.920 5.999 5.844
188 H SER 32 H SER 32 -7.918 3.030 2.470
189 HA SER 32 HA SER 32 -9.373 1.494 4.527
190 1HB SER 32 2HB SER 32 -11.467 2.123 2.901
191 2HB SER 32 1HB SER 32 -11.087 3.005 4.377
192 HG SER 32 HG SER 32 -10.429 3.628 1.698
193 H ASP 33 H ASP 33 -10.613 -0.332 3.438
194 HA ASP 33 HA ASP 33 -8.988 -1.529 1.330
195 1HB ASP 33 2HB ASP 33 -10.723 -3.352 1.614
196 2HB ASP 33 1HB ASP 33 -9.924 -2.872 3.113
197 H ASP 34 H ASP 34 -9.268 -0.352 -0.620
198 HA ASP 34 HA ASP 34 -11.986 -0.338 -1.788
199 1HB ASP 34 2HB ASP 34 -10.844 1.850 -0.918
200 2HB ASP 34 1HB ASP 34 -9.886 1.684 -2.389
201 H LYS 35 H LYS 35 -10.385 0.882 -3.993
202 HA LYS 35 HA LYS 35 -9.838 -1.630 -5.391
203 1HB LYS 35 2HB LYS 35 -9.455 1.235 -6.320
204 2HB LYS 35 1HB LYS 35 -9.623 -0.189 -7.346
205 1HG LYS 35 2HG LYS 35 -11.879 -0.181 -5.645
206 2HG LYS 35 1HG LYS 35 -11.692 1.476 -6.221
207 1HD LYS 35 2HD LYS 35 -12.727 0.772 -8.106
208 2HD LYS 35 1HD LYS 35 -11.204 -0.028 -8.495
209 1HE LYS 35 2HE LYS 35 -12.830 -1.763 -8.643
210 2HE LYS 35 1HE LYS 35 -12.114 -1.989 -7.035
211 1HZ LYS 35 2HZ LYS 35 -13.879 -0.373 -6.245
212 2HZ LYS 35 1HZ LYS 35 -14.654 -0.637 -7.734
213 3HZ LYS 35 3HZ LYS 35 -14.416 -1.930 -6.662
214 H CYS 36 HN CCU 36 -8.363 -0.765 -3.088
215 HA CYS 36 HA CCU 36 -5.824 0.340 -3.465
216 1HB CYS 36 2HB CCU 36 -6.699 -0.297 -1.314
217 2HB CYS 36 1HB CCU 36 -6.842 -1.982 -1.806
218 HA PRO 37 HA PRO 37 -4.397 -2.807 -6.393
219 1HB PRO 37 2HB PRO 37 -2.654 -1.156 -7.689
220 2HB PRO 37 1HB PRO 37 -4.394 -1.177 -8.032
221 1HG PRO 37 2HG PRO 37 -2.791 0.800 -6.538
222 2HG PRO 37 1HG PRO 37 -4.284 1.017 -7.460
223 1HD PRO 37 2HD PRO 37 -4.055 0.843 -4.666
224 2HD PRO 37 1HD PRO 37 -5.555 0.761 -5.613
225 H CYS 38 HN CCU 38 -3.416 -2.931 -3.783
226 HA CYS 38 HA CCU 38 -0.485 -2.576 -3.907
227 1HB CYS 38 2HB CCU 38 -2.370 -2.117 -2.110
228 2HB CYS 38 1HB CCU 38 -1.965 -3.742 -1.626
229 H GLY 39 H GLY 39 -2.337 -4.598 -5.096
230 1HA GLY 39 2HA GLY 39 -0.548 -6.920 -4.832
231 2HA GLY 39 1HA GLY 39 -2.199 -7.194 -4.277
232 H ASN 40 HN ASN 40 -3.806 -6.049 -6.062
233 HA ASN 40 HA ASN 40 -3.233 -7.555 -8.557
234 1HB ASN 40 2HB ASN 40 -5.390 -7.589 -7.109
235 2HB ASN 40 1HB ASN 40 -5.735 -6.024 -7.845
236 1HD2 ASN 40 2HD2 ASN 40 -6.495 -7.385 -11.041
237 2HD2 ASN 40 1HD2 ASN 40 -6.146 -5.967 -10.174
Start of MODEL 3
1 1H GLN 1 1H GLN 1 9.474 4.681 -12.266
2 2H GLN 1 3H GLN 1 10.658 5.881 -12.075
3 3H GLN 1 2H GLN 1 10.450 5.128 -13.583
4 HA GLN 1 HA GLN 1 11.448 3.161 -12.910
5 1HB GLN 1 2HB GLN 1 12.862 5.292 -13.012
6 2HB GLN 1 1HB GLN 1 12.813 5.292 -11.249
7 1HG GLN 1 2HG GLN 1 14.814 4.137 -11.789
8 2HG GLN 1 1HG GLN 1 13.658 2.865 -11.396
9 1HE2 GLN 1 2HE2 GLN 1 15.067 3.212 -15.209
10 2HE2 GLN 1 1HE2 GLN 1 15.451 4.380 -14.039
11 H ASN 2 H ASN 2 11.252 5.145 -9.920
12 HA ASN 2 HA ASN 2 10.377 2.674 -8.462
13 1HB ASN 2 2HB ASN 2 12.527 4.703 -7.815
14 2HB ASN 2 1HB ASN 2 11.860 3.623 -6.591
15 1HD2 ASN 2 2HD2 ASN 2 13.889 0.943 -7.605
16 2HD2 ASN 2 1HD2 ASN 2 12.951 1.667 -6.389
17 H GLU 3 H GLU 3 8.386 3.099 -7.600
18 HA GLU 3 HA GLU 3 7.821 5.893 -6.651
19 1HB GLU 3 2HB GLU 3 6.588 4.317 -8.634
20 2HB GLU 3 1HB GLU 3 5.487 4.270 -7.255
21 1HG GLU 3 2HG GLU 3 4.816 6.371 -7.688
22 2HG GLU 3 1HG GLU 3 6.477 6.948 -7.553
23 H GLY 4 H GLY 4 9.010 4.314 -4.800
24 1HA GLY 4 2HA GLY 4 6.843 3.002 -3.232
25 2HA GLY 4 1HA GLY 4 8.573 2.768 -2.974
26 H HIS 5 H HIS 5 6.897 3.439 -0.814
27 HA HIS 5 HA HIS 5 8.171 5.955 0.027
28 1HB HIS 5 2HB HIS 5 5.656 6.668 0.685
29 2HB HIS 5 1HB HIS 5 6.379 7.105 -0.860
30 HD1 HIS 5 HD1 HIS 5 3.559 5.261 0.598
31 HD2 HIS 5 HD2 HIS 5 5.605 5.236 -3.035
32 HE1 HIS 5 HE1 HIS 5 2.094 4.013 -1.050
33 H GLU 6 H GLU 6 5.155 4.967 1.442
34 HA GLU 6 HA GLU 6 6.446 3.221 3.447
35 1HB GLU 6 2HB GLU 6 6.076 6.053 3.760
36 2HB GLU 6 1HB GLU 6 5.004 5.220 4.886
37 1HG GLU 6 2HG GLU 6 6.977 3.822 5.607
38 2HG GLU 6 1HG GLU 6 8.001 4.869 4.622
39 H CYS 7 HN CNP 7 4.890 1.609 2.846
40 HA CYS 7 HA CNP 7 2.091 2.201 2.664
41 1HB CYS 7 2HB CNP 7 2.723 0.459 1.335
42 2HB CYS 7 1HB CNP 7 3.918 -0.140 2.401
43 H GLN 8 H GLN 8 1.791 3.185 4.760
44 HA GLN 8 HA GLN 8 2.075 1.473 7.147
45 1HB GLN 8 2HB GLN 8 1.675 4.262 6.480
46 2HB GLN 8 1HB GLN 8 0.377 3.738 7.553
47 1HG GLN 8 2HG GLN 8 3.358 3.546 8.050
48 2HG GLN 8 1HG GLN 8 2.181 4.500 8.953
49 1HE2 GLN 8 2HE2 GLN 8 2.715 0.591 9.870
50 2HE2 GLN 8 1HE2 GLN 8 3.633 1.354 8.662
51 H CYS 9 HN CCU 9 0.389 1.072 4.515
52 HA CYS 9 HA CCU 9 -2.345 1.238 4.897
53 1HB CYS 9 2HB CCU 9 -0.619 -0.904 3.657
54 2HB CYS 9 1HB CCU 9 -2.312 -0.636 3.334
55 H GLN 10 H GLN 10 -3.754 0.324 6.118
56 HA GLN 10 HA GLN 10 -3.024 -2.073 7.759
57 1HB GLN 10 2HB GLN 10 -4.485 0.486 8.251
58 2HB GLN 10 1HB GLN 10 -5.155 -0.955 9.019
59 1HG GLN 10 2HG GLN 10 -3.459 -1.070 10.513
60 2HG GLN 10 1HG GLN 10 -2.242 -0.793 9.267
61 1HE2 GLN 10 2HE2 GLN 10 -1.750 2.523 10.306
62 2HE2 GLN 10 1HE2 GLN 10 -1.115 1.121 9.591
63 H CYS 11 HN CNP 11 -4.224 -1.522 4.949
64 HA CYS 11 HA CNP 11 -6.944 -2.124 4.785
65 1HB CYS 11 2HB CNP 11 -4.646 -3.043 3.037
66 2HB CYS 11 1HB CNP 11 -6.299 -2.804 2.546
67 H GLY 12 H GLY 12 -6.750 -4.567 3.164
68 1HA GLY 12 2HA GLY 12 -6.640 -6.563 5.379
69 2HA GLY 12 1HA GLY 12 -7.639 -6.729 3.932
70 H SER 13 H SER 13 -5.255 -5.577 2.394
71 HA SER 13 HA SER 13 -3.762 -8.161 2.178
72 1HB SER 13 2HB SER 13 -4.646 -6.028 0.251
73 2HB SER 13 1HB SER 13 -3.285 -7.065 -0.165
74 HG SER 13 HG SER 13 -5.709 -8.143 0.792
75 H CYS 14 HN CCU 14 -3.452 -5.195 3.509
76 HA CYS 14 HA CCU 14 -0.623 -4.809 2.769
77 1HB CYS 14 2HB CCU 14 -2.918 -3.194 3.713
78 2HB CYS 14 1HB CCU 14 -1.322 -2.679 4.193
79 H LYS 15 H LYS 15 -2.818 -5.306 5.346
80 HA LYS 15 HA LYS 15 -1.104 -4.983 7.604
81 1HB LYS 15 2HB LYS 15 -3.749 -5.851 6.974
82 2HB LYS 15 1HB LYS 15 -3.031 -7.061 8.038
83 1HG LYS 15 2HG LYS 15 -2.492 -4.265 8.819
84 2HG LYS 15 1HG LYS 15 -4.188 -4.744 8.919
85 1HD LYS 15 2HD LYS 15 -2.651 -6.896 9.965
86 2HD LYS 15 1HD LYS 15 -2.041 -5.413 10.703
87 1HE LYS 15 2HE LYS 15 -4.465 -4.791 11.194
88 2HE LYS 15 1HE LYS 15 -4.890 -6.449 10.728
89 1HZ LYS 15 1HZ LYS 15 -2.619 -6.119 12.526
90 2HZ LYS 15 3HZ LYS 15 -4.153 -5.826 13.188
91 3HZ LYS 15 2HZ LYS 15 -3.804 -7.335 12.490
92 H ASN 16 H ASN 16 -1.798 -7.865 5.610
93 HA ASN 16 HA ASN 16 0.201 -9.423 7.173
94 1HB ASN 16 2HB ASN 16 -2.283 -9.973 6.092
95 2HB ASN 16 1HB ASN 16 -1.186 -10.687 4.909
96 1HD2 ASN 16 2HD2 ASN 16 -1.906 -12.936 7.984
97 2HD2 ASN 16 1HD2 ASN 16 -2.967 -11.896 7.163
98 H ASN 17 H ASN 17 -0.386 -8.134 3.921
99 HA ASN 17 HA ASN 17 1.993 -9.426 2.788
100 1HB ASN 17 2HB ASN 17 -0.354 -8.547 1.790
101 2HB ASN 17 1HB ASN 17 0.636 -7.120 1.477
102 1HD2 ASN 17 2HD2 ASN 17 1.158 -9.166 -1.518
103 2HD2 ASN 17 1HD2 ASN 17 -0.031 -8.156 -0.851
104 H GLU 18 H GLU 18 3.678 -8.558 4.197
105 HA GLU 18 HA GLU 18 4.090 -5.633 4.243
106 1HB GLU 18 2HB GLU 18 6.004 -6.322 5.702
107 2HB GLU 18 1HB GLU 18 4.459 -6.976 6.248
108 1HG GLU 18 2HG GLU 18 5.017 -9.133 5.691
109 2HG GLU 18 1HG GLU 18 6.006 -8.631 4.319
110 H GLN 19 H GLN 19 4.572 -7.859 1.954
111 HA GLN 19 HA GLN 19 7.336 -7.555 1.228
112 1HB GLN 19 2HB GLN 19 4.955 -8.876 0.333
113 2HB GLN 19 1HB GLN 19 5.696 -8.063 -1.046
114 1HG GLN 19 2HG GLN 19 7.845 -9.148 -0.555
115 2HG GLN 19 1HG GLN 19 7.136 -9.937 0.855
116 1HE2 GLN 19 2HE2 GLN 19 4.863 -11.837 -1.457
117 2HE2 GLN 19 1HE2 GLN 19 4.609 -10.695 -0.228
118 H CYS 20 HN CCU 20 4.829 -5.373 1.205
119 HA CYS 20 HA CCU 20 6.218 -3.646 -0.794
120 1HB CYS 20 2HB CCU 20 3.880 -2.907 -1.374
121 2HB CYS 20 1HB CCU 20 4.205 -4.589 -1.773
122 H GLN 21 H GLN 21 6.030 -3.888 2.325
123 HA GLN 21 HA GLN 21 4.588 -1.549 3.200
124 1HB GLN 21 2HB GLN 21 5.711 -3.814 4.298
125 2HB GLN 21 1HB GLN 21 6.798 -2.544 4.864
126 1HG GLN 21 2HG GLN 21 5.280 -1.973 6.410
127 2HG GLN 21 1HG GLN 21 4.160 -1.542 5.117
128 1HE2 GLN 21 2HE2 GLN 21 2.051 -4.269 5.786
129 2HE2 GLN 21 1HE2 GLN 21 2.255 -2.740 5.077
130 H LYS 22 H LYS 22 7.283 -1.678 1.341
131 HA LYS 22 HA LYS 22 8.265 0.939 2.395
132 1HB LYS 22 2HB LYS 22 9.665 -1.650 2.024
133 2HB LYS 22 1HB LYS 22 10.545 -0.224 1.473
134 1HG LYS 22 2HG LYS 22 9.874 0.797 3.774
135 2HG LYS 22 1HG LYS 22 9.568 -0.875 4.246
136 1HD LYS 22 2HD LYS 22 12.116 -0.550 2.840
137 2HD LYS 22 1HD LYS 22 12.034 0.393 4.329
138 1HE LYS 22 2HE LYS 22 11.769 -1.503 5.676
139 2HE LYS 22 1HE LYS 22 11.125 -2.480 4.342
140 1HZ LYS 22 3HZ LYS 22 13.877 -1.376 4.367
141 2HZ LYS 22 2HZ LYS 22 13.504 -2.939 4.919
142 3HZ LYS 22 1HZ LYS 22 13.234 -2.521 3.294
143 H SER 23 H SER 23 6.891 -0.604 -0.120
144 HA SER 23 HA SER 23 7.698 1.459 -2.045
145 1HB SER 23 2HB SER 23 8.977 -1.123 -1.908
146 2HB SER 23 1HB SER 23 8.103 -0.985 -3.430
147 HG SER 23 HG SER 23 10.370 0.262 -2.597
148 H CYS 24 HN CNP 24 5.192 0.788 -0.865
149 HA CYS 24 HA CNP 24 3.647 -0.906 -2.639
150 1HB CYS 24 2HB CNP 24 2.173 -0.641 -0.878
151 2HB CYS 24 1HB CNP 24 3.604 -0.100 -0.086
152 H SER 25 H SER 25 1.766 0.001 -3.895
153 HA SER 25 HA SER 25 2.497 2.649 -5.091
154 1HB SER 25 2HB SER 25 0.989 0.206 -6.065
155 2HB SER 25 1HB SER 25 1.029 1.715 -6.973
156 HG SER 25 HG SER 25 2.975 1.232 -7.588
157 H CYS 26 HN CCU 26 1.162 2.883 -2.699
158 HA CYS 26 HA CCU 26 -1.740 2.948 -3.066
159 1HB CYS 26 2HB CCU 26 0.275 3.656 -0.965
160 2HB CYS 26 1HB CCU 26 -1.374 4.258 -0.797
161 HA PRO 27 HA PRO 27 -1.438 7.072 -4.852
162 1HB PRO 27 2HB PRO 27 -4.020 7.128 -5.748
163 2HB PRO 27 1HB PRO 27 -2.722 6.297 -6.627
164 1HG PRO 27 2HG PRO 27 -4.855 5.175 -4.896
165 2HG PRO 27 1HG PRO 27 -4.119 4.507 -6.359
166 1HD PRO 27 2HD PRO 27 -3.506 3.709 -3.793
167 2HD PRO 27 1HD PRO 27 -2.438 3.503 -5.197
168 H THR 28 H THR 28 -3.397 8.923 -4.590
169 HA THR 28 HA THR 28 -3.778 9.062 -1.656
170 HB THR 28 HB THR 28 -2.850 10.969 -2.976
171 HG1 THR 28 HG1 THR 28 -3.838 11.710 -1.218
172 1HG2 THR 28 1HG2 THR 28 -4.840 10.254 -4.793
173 2HG2 THR 28 3HG2 THR 28 -5.394 11.791 -4.131
174 3HG2 THR 28 2HG2 THR 28 -3.807 11.679 -4.890
175 H GLY 29 H GLY 29 -5.277 7.103 -2.809
176 1HA GLY 29 2HA GLY 29 -8.010 8.069 -2.219
177 2HA GLY 29 1HA GLY 29 -7.755 7.197 -3.738
178 H CYS 30 HN CCU 30 -5.667 6.353 -1.147
179 HA CYS 30 HA CCU 30 -7.014 3.694 -0.955
180 1HB CYS 30 2HB CCU 30 -4.488 4.400 -1.442
181 2HB CYS 30 1HB CCU 30 -4.402 4.397 0.315
182 H ASN 31 H ASN 31 -8.480 5.555 0.385
183 HA ASN 31 HA ASN 31 -7.625 5.650 3.219
184 1HB ASN 31 2HB ASN 31 -8.830 7.439 1.665
185 2HB ASN 31 1HB ASN 31 -10.281 6.585 2.193
186 1HD2 ASN 31 2HD2 ASN 31 -8.555 9.184 4.704
187 2HD2 ASN 31 1HD2 ASN 31 -8.168 9.085 3.054
188 H SER 32 H SER 32 -9.246 3.456 1.250
189 HA SER 32 HA SER 32 -10.652 2.289 3.627
190 1HB SER 32 2HB SER 32 -11.616 2.709 0.787
191 2HB SER 32 1HB SER 32 -12.433 1.636 1.919
192 HG SER 32 HG SER 32 -12.774 3.394 3.274
193 H ASP 33 H ASP 33 -11.201 -0.102 3.146
194 HA ASP 33 HA ASP 33 -8.775 -1.435 2.151
195 1HB ASP 33 2HB ASP 33 -9.867 -2.180 4.196
196 2HB ASP 33 1HB ASP 33 -11.401 -2.379 3.346
197 H ASP 34 H ASP 34 -11.209 -0.103 0.508
198 HA ASP 34 HA ASP 34 -11.242 -2.283 -1.537
199 1HB ASP 34 2HB ASP 34 -13.378 -1.871 -0.112
200 2HB ASP 34 1HB ASP 34 -13.531 -0.373 -1.029
201 H LYS 35 H LYS 35 -9.434 -0.195 -1.374
202 HA LYS 35 HA LYS 35 -9.768 1.023 -4.001
203 1HB LYS 35 2HB LYS 35 -10.362 2.425 -1.481
204 2HB LYS 35 1HB LYS 35 -9.168 3.269 -2.468
205 1HG LYS 35 2HG LYS 35 -10.782 2.932 -4.434
206 2HG LYS 35 1HG LYS 35 -11.986 2.481 -3.226
207 1HD LYS 35 2HD LYS 35 -12.363 4.643 -2.736
208 2HD LYS 35 1HD LYS 35 -10.652 4.888 -2.381
209 1HE LYS 35 2HE LYS 35 -10.209 5.207 -4.814
210 2HE LYS 35 1HE LYS 35 -11.950 5.045 -5.127
211 1HZ LYS 35 2HZ LYS 35 -10.972 6.919 -3.071
212 2HZ LYS 35 1HZ LYS 35 -10.992 7.388 -4.704
213 3HZ LYS 35 3HZ LYS 35 -12.437 6.947 -3.933
214 H CYS 36 HN CCU 36 -8.082 -0.816 -2.680
215 HA CYS 36 HA CCU 36 -5.489 0.655 -2.407
216 1HB CYS 36 2HB CCU 36 -6.368 -0.719 -0.536
217 2HB CYS 36 1HB CCU 36 -6.355 -2.133 -1.585
218 HA PRO 37 HA PRO 37 -4.860 -1.564 -6.347
219 1HB PRO 37 2HB PRO 37 -3.620 0.502 -7.635
220 2HB PRO 37 1HB PRO 37 -5.386 0.344 -7.561
221 1HG PRO 37 2HG PRO 37 -3.602 2.189 -6.116
222 2HG PRO 37 1HG PRO 37 -5.302 2.375 -6.565
223 1HD PRO 37 2HD PRO 37 -4.286 1.694 -4.022
224 2HD PRO 37 1HD PRO 37 -5.983 1.654 -4.541
225 H CYS 38 HN CCU 38 -3.297 -1.926 -4.032
226 HA CYS 38 HA CCU 38 -0.550 -1.091 -4.322
227 1HB CYS 38 2HB CCU 38 -2.120 -1.998 -2.366
228 2HB CYS 38 1HB CCU 38 -1.410 -3.530 -2.840
229 H GLY 39 H GLY 39 0.856 -3.413 -3.919
230 1HA GLY 39 2HA GLY 39 1.289 -4.384 -6.575
231 2HA GLY 39 1HA GLY 39 1.960 -5.110 -5.113
232 H ASN 40 HN ASN 40 0.036 -6.193 -3.739
233 HA ASN 40 HA ASN 40 -1.323 -8.055 -5.644
234 1HB ASN 40 2HB ASN 40 0.186 -8.288 -3.209
235 2HB ASN 40 1HB ASN 40 -1.435 -8.924 -2.931
236 1HD2 ASN 40 2HD2 ASN 40 -1.040 -11.661 -5.192
237 2HD2 ASN 40 1HD2 ASN 40 -2.178 -10.694 -4.386
Start of MODEL 4
1 1H GLN 1 3H GLN 1 15.036 -0.868 -10.502
2 2H GLN 1 2H GLN 1 16.714 -0.786 -10.253
3 3H GLN 1 1H GLN 1 15.910 -2.281 -10.162
4 HA GLN 1 HA GLN 1 15.053 -1.875 -8.088
5 1HB GLN 1 2HB GLN 1 17.742 -1.209 -8.662
6 2HB GLN 1 1HB GLN 1 17.186 -0.018 -7.485
7 1HG GLN 1 2HG GLN 1 16.196 -2.074 -6.224
8 2HG GLN 1 1HG GLN 1 17.311 -3.015 -7.217
9 1HE2 GLN 1 2HE2 GLN 1 20.064 -0.819 -5.747
10 2HE2 GLN 1 1HE2 GLN 1 19.362 -0.851 -7.292
11 H ASN 2 H ASN 2 13.417 -0.633 -7.267
12 HA ASN 2 HA ASN 2 13.635 2.337 -7.415
13 1HB ASN 2 2HB ASN 2 12.407 1.557 -9.403
14 2HB ASN 2 1HB ASN 2 11.301 0.648 -8.372
15 1HD2 ASN 2 2HD2 ASN 2 9.271 3.445 -7.724
16 2HD2 ASN 2 1HD2 ASN 2 9.469 1.761 -7.648
17 H GLU 3 H GLU 3 11.822 3.337 -6.033
18 HA GLU 3 HA GLU 3 10.918 1.508 -3.849
19 1HB GLU 3 2HB GLU 3 12.410 4.136 -3.558
20 2HB GLU 3 1HB GLU 3 11.755 3.191 -2.220
21 1HG GLU 3 2HG GLU 3 13.191 1.292 -2.841
22 2HG GLU 3 1HG GLU 3 13.835 2.214 -4.200
23 H GLY 4 H GLY 4 8.781 1.881 -3.435
24 1HA GLY 4 2HA GLY 4 7.316 3.978 -4.754
25 2HA GLY 4 1HA GLY 4 6.671 2.914 -3.502
26 H HIS 5 H HIS 5 6.715 3.608 -1.328
27 HA HIS 5 HA HIS 5 8.073 6.120 -0.606
28 1HB HIS 5 2HB HIS 5 5.522 6.782 0.174
29 2HB HIS 5 1HB HIS 5 6.274 7.358 -1.309
30 HD1 HIS 5 HD1 HIS 5 3.514 5.212 -0.060
31 HD2 HIS 5 HD2 HIS 5 5.509 5.823 -3.661
32 HE1 HIS 5 HE1 HIS 5 2.110 4.103 -1.857
33 H GLU 6 H GLU 6 5.083 5.018 0.803
34 HA GLU 6 HA GLU 6 6.370 3.357 2.854
35 1HB GLU 6 2HB GLU 6 5.622 4.948 4.672
36 2HB GLU 6 1HB GLU 6 6.914 5.586 3.654
37 1HG GLU 6 2HG GLU 6 5.618 7.327 3.066
38 2HG GLU 6 1HG GLU 6 4.397 6.221 2.434
39 H CYS 7 HN CNP 7 4.762 1.761 2.346
40 HA CYS 7 HA CNP 7 1.984 2.449 2.167
41 1HB CYS 7 2HB CNP 7 2.447 0.660 0.899
42 2HB CYS 7 1HB CNP 7 3.729 0.066 1.881
43 H GLN 8 H GLN 8 1.644 3.474 4.189
44 HA GLN 8 HA GLN 8 1.988 1.925 6.665
45 1HB GLN 8 2HB GLN 8 1.288 3.931 7.695
46 2HB GLN 8 1HB GLN 8 2.004 4.545 6.207
47 1HG GLN 8 2HG GLN 8 -0.950 3.990 6.640
48 2HG GLN 8 1HG GLN 8 -0.199 5.586 6.623
49 1HE2 GLN 8 2HE2 GLN 8 -1.097 3.762 3.119
50 2HE2 GLN 8 1HE2 GLN 8 -1.503 3.073 4.616
51 H CYS 9 HN CCU 9 0.290 1.244 4.087
52 HA CYS 9 HA CCU 9 -2.444 1.341 4.575
53 1HB CYS 9 2HB CCU 9 -0.742 -0.814 3.329
54 2HB CYS 9 1HB CCU 9 -2.443 -0.555 3.075
55 H GLN 10 H GLN 10 -3.734 0.465 5.923
56 HA GLN 10 HA GLN 10 -2.878 -1.885 7.573
57 1HB GLN 10 2HB GLN 10 -4.284 0.698 8.132
58 2HB GLN 10 1HB GLN 10 -4.845 -0.722 9.014
59 1HG GLN 10 2HG GLN 10 -2.550 -1.151 9.803
60 2HG GLN 10 1HG GLN 10 -1.976 0.257 8.910
61 1HE2 GLN 10 2HE2 GLN 10 -2.793 1.168 12.512
62 2HE2 GLN 10 1HE2 GLN 10 -1.861 -0.086 11.847
63 H CYS 11 HN CNP 11 -4.284 -1.426 4.874
64 HA CYS 11 HA CNP 11 -7.026 -1.930 4.927
65 1HB CYS 11 2HB CNP 11 -4.885 -3.021 3.081
66 2HB CYS 11 1HB CNP 11 -6.560 -2.751 2.688
67 H GLY 12 H GLY 12 -6.922 -4.460 3.379
68 1HA GLY 12 2HA GLY 12 -6.828 -6.348 5.687
69 2HA GLY 12 1HA GLY 12 -7.857 -6.557 4.264
70 H SER 13 H SER 13 -5.430 -5.513 2.674
71 HA SER 13 HA SER 13 -3.992 -8.137 2.574
72 1HB SER 13 2HB SER 13 -5.324 -6.444 0.612
73 2HB SER 13 1HB SER 13 -3.657 -6.770 0.148
74 HG SER 13 HG SER 13 -5.825 -8.438 0.250
75 H CYS 14 HN CCU 14 -3.610 -5.102 3.686
76 HA CYS 14 HA CCU 14 -0.816 -4.786 2.787
77 1HB CYS 14 2HB CCU 14 -3.056 -3.080 3.700
78 2HB CYS 14 1HB CCU 14 -1.437 -2.550 4.072
79 H LYS 15 H LYS 15 -2.917 -5.065 5.471
80 HA LYS 15 HA LYS 15 -1.021 -4.643 7.601
81 1HB LYS 15 2HB LYS 15 -3.792 -5.401 7.201
82 2HB LYS 15 1HB LYS 15 -3.065 -6.377 8.478
83 1HG LYS 15 2HG LYS 15 -2.181 -3.671 8.799
84 2HG LYS 15 1HG LYS 15 -3.937 -3.668 8.632
85 1HD LYS 15 2HD LYS 15 -3.026 -5.847 10.339
86 2HD LYS 15 1HD LYS 15 -2.507 -4.276 10.953
87 1HE LYS 15 2HE LYS 15 -4.732 -3.478 11.128
88 2HE LYS 15 1HE LYS 15 -5.360 -4.746 10.057
89 1HZ LYS 15 2HZ LYS 15 -4.340 -6.326 11.794
90 2HZ LYS 15 1HZ LYS 15 -4.391 -4.983 12.834
91 3HZ LYS 15 3HZ LYS 15 -5.824 -5.582 12.153
92 H ASN 16 H ASN 16 -1.744 -7.397 5.566
93 HA ASN 16 HA ASN 16 -0.092 -9.161 7.331
94 1HB ASN 16 2HB ASN 16 -1.205 -10.977 6.110
95 2HB ASN 16 1HB ASN 16 -2.411 -9.849 6.727
96 1HD2 ASN 16 2HD2 ASN 16 -1.998 -10.359 2.721
97 2HD2 ASN 16 1HD2 ASN 16 -1.023 -11.206 3.822
98 H ASN 17 H ASN 17 -0.518 -8.181 3.914
99 HA ASN 17 HA ASN 17 1.958 -9.525 3.093
100 1HB ASN 17 2HB ASN 17 -0.389 -8.297 1.932
101 2HB ASN 17 1HB ASN 17 1.063 -7.680 1.143
102 1HD2 ASN 17 2HD2 ASN 17 0.490 -10.685 -0.795
103 2HD2 ASN 17 1HD2 ASN 17 0.041 -9.051 -0.723
104 H GLU 18 H GLU 18 3.657 -8.512 4.254
105 HA GLU 18 HA GLU 18 3.920 -5.577 4.211
106 1HB GLU 18 2HB GLU 18 4.569 -7.603 5.961
107 2HB GLU 18 1HB GLU 18 6.129 -7.246 5.216
108 1HG GLU 18 2HG GLU 18 6.305 -5.300 6.340
109 2HG GLU 18 1HG GLU 18 4.686 -4.803 5.843
110 H GLN 19 H GLN 19 4.401 -7.771 1.901
111 HA GLN 19 HA GLN 19 7.142 -7.311 1.114
112 1HB GLN 19 2HB GLN 19 5.162 -9.074 0.481
113 2HB GLN 19 1HB GLN 19 5.110 -8.009 -0.924
114 1HG GLN 19 2HG GLN 19 6.890 -9.111 -1.751
115 2HG GLN 19 1HG GLN 19 7.846 -8.464 -0.416
116 1HE2 GLN 19 2HE2 GLN 19 7.902 -12.249 -0.342
117 2HE2 GLN 19 1HE2 GLN 19 8.256 -11.116 -1.556
118 H CYS 20 HN CCU 20 4.498 -5.307 1.156
119 HA CYS 20 HA CCU 20 5.706 -3.528 -0.911
120 1HB CYS 20 2HB CCU 20 3.376 -3.043 -1.591
121 2HB CYS 20 1HB CCU 20 3.767 -4.740 -1.814
122 H GLN 21 H GLN 21 5.624 -3.678 2.178
123 HA GLN 21 HA GLN 21 3.993 -1.360 2.931
124 1HB GLN 21 2HB GLN 21 5.324 -3.606 4.139
125 2HB GLN 21 1HB GLN 21 5.835 -2.128 4.955
126 1HG GLN 21 2HG GLN 21 3.812 -3.045 6.010
127 2HG GLN 21 1HG GLN 21 3.472 -1.484 5.261
128 1HE2 GLN 21 2HE2 GLN 21 0.687 -3.242 3.862
129 2HE2 GLN 21 1HE2 GLN 21 1.157 -2.187 5.107
130 H LYS 22 H LYS 22 6.754 -1.504 1.232
131 HA LYS 22 HA LYS 22 7.757 1.061 2.389
132 1HB LYS 22 2HB LYS 22 9.029 -1.555 2.317
133 2HB LYS 22 1HB LYS 22 10.010 -0.341 1.493
134 1HG LYS 22 2HG LYS 22 8.916 0.751 3.938
135 2HG LYS 22 1HG LYS 22 9.795 -0.741 4.274
136 1HD LYS 22 2HD LYS 22 11.724 0.150 2.955
137 2HD LYS 22 1HD LYS 22 10.851 1.671 2.771
138 1HE LYS 22 2HE LYS 22 10.695 1.250 5.497
139 2HE LYS 22 1HE LYS 22 12.317 0.643 5.105
140 1HZ LYS 22 2HZ LYS 22 11.231 3.219 4.103
141 2HZ LYS 22 1HZ LYS 22 12.222 3.091 5.478
142 3HZ LYS 22 3HZ LYS 22 12.825 2.649 3.955
143 H SER 23 H SER 23 6.555 -0.442 -0.249
144 HA SER 23 HA SER 23 7.547 1.629 -2.078
145 1HB SER 23 2HB SER 23 8.392 -0.204 -3.666
146 2HB SER 23 1HB SER 23 9.382 0.095 -2.238
147 HG SER 23 HG SER 23 8.938 -2.145 -2.608
148 H CYS 24 HN CNP 24 4.954 0.943 -1.097
149 HA CYS 24 HA CNP 24 3.541 -0.706 -3.018
150 1HB CYS 24 2HB CNP 24 1.959 -0.486 -1.356
151 2HB CYS 24 1HB CNP 24 3.330 0.046 -0.465
152 H SER 25 H SER 25 1.953 0.142 -4.556
153 HA SER 25 HA SER 25 2.696 2.849 -5.563
154 1HB SER 25 2HB SER 25 1.128 1.748 -7.473
155 2HB SER 25 1HB SER 25 2.852 1.412 -7.347
156 HG SER 25 HG SER 25 1.661 -0.514 -7.442
157 H CYS 26 HN CCU 26 1.113 3.097 -3.326
158 HA CYS 26 HA CCU 26 -1.654 3.534 -4.383
159 1HB CYS 26 2HB CCU 26 -0.557 3.180 -1.579
160 2HB CYS 26 1HB CCU 26 -2.260 3.384 -1.985
161 HA PRO 27 HA PRO 27 -0.778 7.858 -3.866
162 1HB PRO 27 2HB PRO 27 -3.269 8.761 -4.510
163 2HB PRO 27 1HB PRO 27 -2.128 8.155 -5.727
164 1HG PRO 27 2HG PRO 27 -4.522 6.861 -4.578
165 2HG PRO 27 1HG PRO 27 -3.799 6.685 -6.182
166 1HD PRO 27 2HD PRO 27 -3.547 4.888 -4.056
167 2HD PRO 27 1HD PRO 27 -2.548 4.919 -5.523
168 H THR 28 H THR 28 -2.548 9.705 -2.870
169 HA THR 28 HA THR 28 -2.820 8.834 -0.056
170 HB THR 28 HB THR 28 -1.801 11.041 -0.886
171 HG1 THR 28 HG1 THR 28 -2.891 12.223 0.791
172 1HG2 THR 28 2HG2 THR 28 -3.878 11.278 -2.492
173 2HG2 THR 28 1HG2 THR 28 -4.626 12.030 -1.082
174 3HG2 THR 28 3HG2 THR 28 -3.154 12.715 -1.771
175 H GLY 29 H GLY 29 -4.543 7.515 -1.714
176 1HA GLY 29 2HA GLY 29 -7.160 8.479 -0.702
177 2HA GLY 29 1HA GLY 29 -7.017 8.053 -2.413
178 H CYS 30 HN CCU 30 -4.963 6.321 -0.297
179 HA CYS 30 HA CCU 30 -6.524 3.841 -0.811
180 1HB CYS 30 2HB CCU 30 -3.976 4.356 -1.134
181 2HB CYS 30 1HB CCU 30 -3.874 4.034 0.595
182 H ASN 31 H ASN 31 -7.903 5.345 0.965
183 HA ASN 31 HA ASN 31 -7.194 4.385 3.705
184 1HB ASN 31 2HB ASN 31 -8.945 6.550 2.531
185 2HB ASN 31 1HB ASN 31 -9.097 6.077 4.224
186 1HD2 ASN 31 2HD2 ASN 31 -5.635 7.148 4.919
187 2HD2 ASN 31 1HD2 ASN 31 -6.586 5.764 5.166
188 H SER 32 H SER 32 -8.532 2.811 1.407
189 HA SER 32 HA SER 32 -10.905 1.902 2.999
190 1HB SER 32 2HB SER 32 -10.681 2.999 0.283
191 2HB SER 32 1HB SER 32 -11.543 1.463 0.337
192 HG SER 32 HG SER 32 -12.526 3.779 0.893
193 H ASP 33 H ASP 33 -11.570 -0.374 2.265
194 HA ASP 33 HA ASP 33 -9.110 -1.998 1.831
195 1HB ASP 33 2HB ASP 33 -11.872 -2.464 2.963
196 2HB ASP 33 1HB ASP 33 -10.812 -3.820 2.572
197 H ASP 34 H ASP 34 -11.389 -0.642 -0.067
198 HA ASP 34 HA ASP 34 -11.245 -2.880 -2.040
199 1HB ASP 34 2HB ASP 34 -13.613 -1.134 -1.282
200 2HB ASP 34 1HB ASP 34 -13.602 -2.202 -2.686
201 H LYS 35 H LYS 35 -9.540 -0.705 -1.825
202 HA LYS 35 HA LYS 35 -9.762 0.430 -4.501
203 1HB LYS 35 2HB LYS 35 -10.603 1.864 -2.078
204 2HB LYS 35 1HB LYS 35 -9.362 2.737 -2.977
205 1HG LYS 35 2HG LYS 35 -10.751 2.391 -5.059
206 2HG LYS 35 1HG LYS 35 -12.032 1.765 -4.020
207 1HD LYS 35 2HD LYS 35 -10.977 4.283 -3.009
208 2HD LYS 35 1HD LYS 35 -11.590 4.451 -4.654
209 1HE LYS 35 2HE LYS 35 -13.739 4.272 -3.949
210 2HE LYS 35 1HE LYS 35 -13.366 2.825 -2.993
211 1HZ LYS 35 3HZ LYS 35 -12.196 4.391 -1.418
212 2HZ LYS 35 2HZ LYS 35 -12.971 5.663 -2.235
213 3HZ LYS 35 1HZ LYS 35 -13.889 4.482 -1.427
214 H CYS 36 HN CCU 36 -8.083 -1.287 -3.013
215 HA CYS 36 HA CCU 36 -5.584 0.319 -2.646
216 1HB CYS 36 2HB CCU 36 -6.533 -0.999 -0.765
217 2HB CYS 36 1HB CCU 36 -6.370 -2.462 -1.730
218 HA PRO 37 HA PRO 37 -4.548 -2.008 -6.407
219 1HB PRO 37 2HB PRO 37 -3.097 0.007 -7.551
220 2HB PRO 37 1HB PRO 37 -4.864 -0.092 -7.678
221 1HG PRO 37 2HG PRO 37 -3.195 1.711 -6.061
222 2HG PRO 37 1HG PRO 37 -4.836 1.935 -6.675
223 1HD PRO 37 2HD PRO 37 -4.083 1.232 -4.041
224 2HD PRO 37 1HD PRO 37 -5.726 1.265 -4.715
225 H CYS 38 HN CCU 38 -3.267 -2.573 -4.033
226 HA CYS 38 HA CCU 38 -0.404 -1.915 -4.281
227 1HB CYS 38 2HB CCU 38 -2.173 -2.093 -2.308
228 2HB CYS 38 1HB CCU 38 -1.562 -3.727 -2.251
229 H GLY 39 H GLY 39 -2.173 -3.813 -5.783
230 1HA GLY 39 2HA GLY 39 -0.586 -6.324 -5.527
231 2HA GLY 39 1HA GLY 39 -2.169 -6.222 -6.296
232 H ASN 40 HN ASN 40 -1.335 -3.697 -7.708
233 HA ASN 40 HA ASN 40 -0.049 -5.038 -10.010
234 1HB ASN 40 2HB ASN 40 -1.932 -2.940 -9.515
235 2HB ASN 40 1HB ASN 40 -0.582 -2.257 -10.423
236 1HD2 ASN 40 2HD2 ASN 40 -2.402 -3.503 -13.239
237 2HD2 ASN 40 1HD2 ASN 40 -2.069 -2.111 -12.325
Start of MODEL 5
1 1H GLN 1 3H GLN 1 6.682 1.171 -9.299
2 2H GLN 1 2H GLN 1 6.316 0.244 -10.676
3 3H GLN 1 1H GLN 1 5.748 -0.237 -9.148
4 HA GLN 1 HA GLN 1 7.819 -0.970 -8.441
5 1HB GLN 1 2HB GLN 1 7.096 -1.444 -11.300
6 2HB GLN 1 1HB GLN 1 8.657 -2.057 -10.753
7 1HG GLN 1 2HG GLN 1 7.695 -3.513 -9.204
8 2HG GLN 1 1HG GLN 1 6.209 -2.569 -9.090
9 1HE2 GLN 1 2HE2 GLN 1 5.386 -5.546 -11.148
10 2HE2 GLN 1 1HE2 GLN 1 5.829 -5.253 -9.535
11 H ASN 2 H ASN 2 8.487 1.634 -8.427
12 HA ASN 2 HA ASN 2 11.189 1.652 -9.646
13 1HB ASN 2 2HB ASN 2 9.124 3.822 -10.141
14 2HB ASN 2 1HB ASN 2 10.759 3.764 -10.800
15 1HD2 ASN 2 2HD2 ASN 2 7.806 1.776 -12.686
16 2HD2 ASN 2 1HD2 ASN 2 7.509 2.824 -11.382
17 H GLU 3 H GLU 3 8.753 3.390 -7.708
18 HA GLU 3 HA GLU 3 10.835 4.017 -5.691
19 1HB GLU 3 2HB GLU 3 9.612 5.893 -7.628
20 2HB GLU 3 1HB GLU 3 9.639 6.461 -5.958
21 1HG GLU 3 2HG GLU 3 12.050 6.058 -5.829
22 2HG GLU 3 1HG GLU 3 12.048 5.405 -7.467
23 H GLY 4 H GLY 4 9.772 3.143 -3.929
24 1HA GLY 4 2HA GLY 4 6.871 3.214 -3.677
25 2HA GLY 4 1HA GLY 4 8.004 2.633 -2.454
26 H HIS 5 H HIS 5 6.264 3.956 -1.155
27 HA HIS 5 HA HIS 5 7.469 6.643 -0.689
28 1HB HIS 5 2HB HIS 5 4.801 7.160 -0.331
29 2HB HIS 5 1HB HIS 5 5.676 7.512 -1.816
30 HD1 HIS 5 HD1 HIS 5 2.932 5.459 -0.462
31 HD2 HIS 5 HD2 HIS 5 5.349 5.404 -3.855
32 HE1 HIS 5 HE1 HIS 5 1.796 3.930 -2.138
33 H GLU 6 H GLU 6 4.461 5.325 0.582
34 HA GLU 6 HA GLU 6 5.714 4.379 3.068
35 1HB GLU 6 2HB GLU 6 4.557 7.075 2.694
36 2HB GLU 6 1HB GLU 6 3.978 6.223 4.127
37 1HG GLU 6 2HG GLU 6 6.517 5.682 4.501
38 2HG GLU 6 1HG GLU 6 6.780 7.056 3.427
39 H CYS 7 HN CNP 7 4.505 2.418 2.751
40 HA CYS 7 HA CNP 7 1.619 2.633 2.379
41 1HB CYS 7 2HB CNP 7 2.535 1.017 1.044
42 2HB CYS 7 1HB CNP 7 3.679 0.454 2.201
43 H GLN 8 H GLN 8 1.420 3.669 4.523
44 HA GLN 8 HA GLN 8 1.810 1.945 6.874
45 1HB GLN 8 2HB GLN 8 1.146 3.875 8.055
46 2HB GLN 8 1HB GLN 8 1.810 4.597 6.592
47 1HG GLN 8 2HG GLN 8 -1.117 4.055 7.179
48 2HG GLN 8 1HG GLN 8 -0.339 5.633 7.052
49 1HE2 GLN 8 2HE2 GLN 8 -1.617 3.784 3.703
50 2HE2 GLN 8 1HE2 GLN 8 -1.951 3.181 5.254
51 H CYS 9 HN CCU 9 0.047 1.581 4.246
52 HA CYS 9 HA CCU 9 -2.641 1.558 4.600
53 1HB CYS 9 2HB CCU 9 -0.782 -0.554 3.510
54 2HB CYS 9 1HB CCU 9 -2.493 -0.452 3.192
55 H GLN 10 H GLN 10 -4.029 0.684 5.875
56 HA GLN 10 HA GLN 10 -3.223 -1.546 7.704
57 1HB GLN 10 2HB GLN 10 -5.319 0.650 7.945
58 2HB GLN 10 1HB GLN 10 -5.024 -0.595 9.159
59 1HG GLN 10 2HG GLN 10 -2.711 0.202 9.433
60 2HG GLN 10 1HG GLN 10 -2.984 1.436 8.203
61 1HE2 GLN 10 2HE2 GLN 10 -3.653 3.366 11.188
62 2HE2 GLN 10 1HE2 GLN 10 -2.377 2.885 10.176
63 H CYS 11 HN CNP 11 -4.394 -1.272 4.830
64 HA CYS 11 HA CNP 11 -7.063 -2.078 4.662
65 1HB CYS 11 2HB CNP 11 -4.670 -2.961 3.026
66 2HB CYS 11 1HB CNP 11 -6.325 -2.864 2.490
67 H GLY 12 H GLY 12 -6.689 -4.585 3.221
68 1HA GLY 12 2HA GLY 12 -6.420 -6.436 5.548
69 2HA GLY 12 1HA GLY 12 -7.435 -6.750 4.137
70 H SER 13 H SER 13 -5.192 -5.554 2.450
71 HA SER 13 HA SER 13 -3.547 -8.047 2.336
72 1HB SER 13 2HB SER 13 -4.761 -6.172 0.386
73 2HB SER 13 1HB SER 13 -3.160 -6.770 -0.038
74 HG SER 13 HG SER 13 -3.918 -8.799 -0.085
75 H CYS 14 HN CCU 14 -3.372 -5.002 3.520
76 HA CYS 14 HA CCU 14 -0.569 -4.525 2.744
77 1HB CYS 14 2HB CCU 14 -2.924 -2.975 3.650
78 2HB CYS 14 1HB CCU 14 -1.349 -2.370 4.094
79 H LYS 15 H LYS 15 -2.713 -4.998 5.379
80 HA LYS 15 HA LYS 15 -0.782 -4.657 7.523
81 1HB LYS 15 2HB LYS 15 -3.593 -5.255 7.130
82 2HB LYS 15 1HB LYS 15 -2.908 -6.309 8.367
83 1HG LYS 15 2HG LYS 15 -1.883 -4.220 9.404
84 2HG LYS 15 1HG LYS 15 -2.898 -3.286 8.305
85 1HD LYS 15 2HD LYS 15 -4.351 -3.406 10.084
86 2HD LYS 15 1HD LYS 15 -4.780 -4.924 9.293
87 1HE LYS 15 2HE LYS 15 -3.760 -6.211 10.912
88 2HE LYS 15 1HE LYS 15 -2.495 -5.004 11.217
89 1HZ LYS 15 2HZ LYS 15 -4.562 -3.587 11.946
90 2HZ LYS 15 1HZ LYS 15 -5.237 -5.117 12.244
91 3HZ LYS 15 3HZ LYS 15 -3.810 -4.653 13.034
92 H ASN 16 H ASN 16 -1.974 -7.404 5.633
93 HA ASN 16 HA ASN 16 -0.449 -9.364 7.225
94 1HB ASN 16 2HB ASN 16 -2.549 -10.092 6.376
95 2HB ASN 16 1HB ASN 16 -2.234 -9.401 4.784
96 1HD2 ASN 16 2HD2 ASN 16 -1.459 -12.812 3.990
97 2HD2 ASN 16 1HD2 ASN 16 -2.694 -11.649 3.937
98 H ASN 17 H ASN 17 -0.533 -8.859 3.686
99 HA ASN 17 HA ASN 17 2.100 -9.857 3.218
100 1HB ASN 17 2HB ASN 17 -0.125 -8.821 1.791
101 2HB ASN 17 1HB ASN 17 1.279 -7.883 1.281
102 1HD2 ASN 17 2HD2 ASN 17 1.290 -11.942 0.583
103 2HD2 ASN 17 1HD2 ASN 17 0.374 -11.329 1.873
104 H GLU 18 H GLU 18 3.733 -8.870 4.436
105 HA GLU 18 HA GLU 18 3.870 -5.932 4.625
106 1HB GLU 18 2HB GLU 18 5.236 -8.319 5.822
107 2HB GLU 18 1HB GLU 18 6.028 -6.745 5.925
108 1HG GLU 18 2HG GLU 18 4.430 -5.876 7.332
109 2HG GLU 18 1HG GLU 18 3.137 -6.856 6.637
110 H GLN 19 H GLN 19 4.564 -7.910 2.186
111 HA GLN 19 HA GLN 19 7.328 -7.097 1.633
112 1HB GLN 19 2HB GLN 19 5.522 -9.131 0.856
113 2HB GLN 19 1HB GLN 19 5.902 -8.223 -0.609
114 1HG GLN 19 2HG GLN 19 8.372 -8.394 0.218
115 2HG GLN 19 1HG GLN 19 7.769 -9.710 1.224
116 1HE2 GLN 19 2HE2 GLN 19 8.809 -10.881 -2.280
117 2HE2 GLN 19 1HE2 GLN 19 9.584 -9.817 -1.208
118 H CYS 20 HN CCU 20 4.483 -5.476 1.498
119 HA CYS 20 HA CCU 20 5.409 -3.816 -0.803
120 1HB CYS 20 2HB CCU 20 3.113 -3.644 -1.470
121 2HB CYS 20 1HB CCU 20 3.438 -5.346 -1.224
122 H GLN 21 H GLN 21 5.493 -3.688 2.338
123 HA GLN 21 HA GLN 21 3.898 -1.263 2.859
124 1HB GLN 21 2HB GLN 21 5.954 -2.572 4.648
125 2HB GLN 21 1HB GLN 21 4.531 -1.646 5.126
126 1HG GLN 21 2HG GLN 21 4.522 -4.362 3.776
127 2HG GLN 21 1HG GLN 21 4.113 -4.034 5.459
128 1HE2 GLN 21 2HE2 GLN 21 1.091 -2.158 4.367
129 2HE2 GLN 21 1HE2 GLN 21 2.467 -1.808 5.296
130 H LYS 22 H LYS 22 6.691 -1.776 1.269
131 HA LYS 22 HA LYS 22 7.798 0.888 2.060
132 1HB LYS 22 2HB LYS 22 9.079 -1.817 1.898
133 2HB LYS 22 1HB LYS 22 10.050 -0.410 1.457
134 1HG LYS 22 2HG LYS 22 9.310 0.636 3.658
135 2HG LYS 22 1HG LYS 22 8.669 -0.948 4.095
136 1HD LYS 22 2HD LYS 22 10.790 -1.934 4.160
137 2HD LYS 22 1HD LYS 22 11.507 -0.690 3.135
138 1HE LYS 22 2HE LYS 22 12.140 0.459 4.980
139 2HE LYS 22 1HE LYS 22 10.443 0.575 5.488
140 1HZ LYS 22 2HZ LYS 22 12.211 -1.779 5.905
141 2HZ LYS 22 1HZ LYS 22 11.760 -0.668 7.107
142 3HZ LYS 22 3HZ LYS 22 10.586 -1.659 6.388
143 H SER 23 H SER 23 6.345 -0.799 -0.283
144 HA SER 23 HA SER 23 7.360 0.912 -2.440
145 1HB SER 23 2HB SER 23 8.151 -1.907 -2.035
146 2HB SER 23 1HB SER 23 7.590 -1.536 -3.662
147 HG SER 23 HG SER 23 9.623 -0.199 -2.193
148 H CYS 24 HN CNP 24 4.823 0.626 -1.152
149 HA CYS 24 HA CNP 24 3.074 -1.089 -2.721
150 1HB CYS 24 2HB CNP 24 1.729 -0.530 -0.912
151 2HB CYS 24 1HB CNP 24 3.199 0.084 -0.270
152 H SER 25 H SER 25 1.669 -0.302 -4.438
153 HA SER 25 HA SER 25 2.581 2.272 -5.631
154 1HB SER 25 2HB SER 25 1.409 1.327 -7.632
155 2HB SER 25 1HB SER 25 2.632 0.239 -6.983
156 HG SER 25 HG SER 25 0.371 -0.567 -7.475
157 H CYS 26 HN CCU 26 1.001 2.872 -3.464
158 HA CYS 26 HA CCU 26 -1.650 3.545 -4.687
159 1HB CYS 26 2HB CCU 26 -0.932 3.134 -1.775
160 2HB CYS 26 1HB CCU 26 -2.542 3.262 -2.470
161 HA PRO 27 HA PRO 27 -0.469 7.730 -3.881
162 1HB PRO 27 2HB PRO 27 -2.910 8.881 -4.282
163 2HB PRO 27 1HB PRO 27 -1.914 8.264 -5.613
164 1HG PRO 27 2HG PRO 27 -4.326 7.099 -4.365
165 2HG PRO 27 1HG PRO 27 -3.738 6.972 -6.027
166 1HD PRO 27 2HD PRO 27 -3.493 5.019 -4.045
167 2HD PRO 27 1HD PRO 27 -2.594 5.073 -5.575
168 H THR 28 H THR 28 -1.901 9.668 -2.614
169 HA THR 28 HA THR 28 -2.116 8.604 0.137
170 HB THR 28 HB THR 28 -0.822 10.630 -0.229
171 HG1 THR 28 HG1 THR 28 -1.888 11.976 1.182
172 1HG2 THR 28 3HG2 THR 28 -3.165 11.310 -1.917
173 2HG2 THR 28 2HG2 THR 28 -2.430 12.650 -1.038
174 3HG2 THR 28 1HG2 THR 28 -1.459 11.688 -2.153
175 H GLY 29 H GLY 29 -4.106 7.662 -1.481
176 1HA GLY 29 2HA GLY 29 -6.499 8.869 -0.204
177 2HA GLY 29 1HA GLY 29 -6.526 8.581 -1.951
178 H CYS 30 HN CCU 30 -4.588 6.423 -0.146
179 HA CYS 30 HA CCU 30 -6.450 4.199 -0.766
180 1HB CYS 30 2HB CCU 30 -3.896 4.426 -1.147
181 2HB CYS 30 1HB CCU 30 -3.754 4.020 0.558
182 H ASN 31 H ASN 31 -7.895 5.233 0.989
183 HA ASN 31 HA ASN 31 -7.098 4.307 3.724
184 1HB ASN 31 2HB ASN 31 -8.780 6.500 2.578
185 2HB ASN 31 1HB ASN 31 -9.223 5.868 4.164
186 1HD2 ASN 31 2HD2 ASN 31 -5.982 8.262 3.806
187 2HD2 ASN 31 1HD2 ASN 31 -6.980 7.906 2.479
188 H SER 32 H SER 32 -8.508 2.878 1.271
189 HA SER 32 HA SER 32 -10.765 1.757 2.906
190 1HB SER 32 2HB SER 32 -10.613 2.913 0.207
191 2HB SER 32 1HB SER 32 -11.418 1.347 0.248
192 HG SER 32 HG SER 32 -12.570 3.520 0.770
193 H ASP 33 H ASP 33 -11.137 -0.539 2.594
194 HA ASP 33 HA ASP 33 -8.690 -2.017 1.850
195 1HB ASP 33 2HB ASP 33 -9.981 -3.908 2.863
196 2HB ASP 33 1HB ASP 33 -9.854 -2.516 3.939
197 H ASP 34 H ASP 34 -11.223 -0.871 0.142
198 HA ASP 34 HA ASP 34 -11.106 -3.157 -1.779
199 1HB ASP 34 2HB ASP 34 -13.261 -3.174 -0.611
200 2HB ASP 34 1HB ASP 34 -13.483 -1.456 -0.944
201 H LYS 35 H LYS 35 -9.496 -0.895 -1.713
202 HA LYS 35 HA LYS 35 -9.892 0.109 -4.419
203 1HB LYS 35 2HB LYS 35 -10.957 1.527 -2.191
204 2HB LYS 35 1HB LYS 35 -9.525 2.417 -2.711
205 1HG LYS 35 2HG LYS 35 -10.826 1.703 -5.090
206 2HG LYS 35 1HG LYS 35 -12.120 2.207 -4.002
207 1HD LYS 35 2HD LYS 35 -11.073 4.337 -3.611
208 2HD LYS 35 1HD LYS 35 -9.601 3.828 -4.440
209 1HE LYS 35 2HE LYS 35 -10.456 4.416 -6.455
210 2HE LYS 35 1HE LYS 35 -11.946 3.502 -6.148
211 1HZ LYS 35 2HZ LYS 35 -12.383 5.412 -4.465
212 2HZ LYS 35 1HZ LYS 35 -11.300 6.284 -5.441
213 3HZ LYS 35 3HZ LYS 35 -12.723 5.653 -6.112
214 H CYS 36 HN CCU 36 -8.059 -1.477 -2.999
215 HA CYS 36 HA CCU 36 -5.630 0.257 -2.742
216 1HB CYS 36 2HB CCU 36 -6.419 -1.163 -0.842
217 2HB CYS 36 1HB CCU 36 -6.178 -2.588 -1.848
218 HA PRO 37 HA PRO 37 -4.702 -1.987 -6.604
219 1HB PRO 37 2HB PRO 37 -3.560 0.144 -7.877
220 2HB PRO 37 1HB PRO 37 -5.313 -0.131 -7.864
221 1HG PRO 37 2HG PRO 37 -3.705 1.839 -6.376
222 2HG PRO 37 1HG PRO 37 -5.394 1.914 -6.893
223 1HD PRO 37 2HD PRO 37 -4.449 1.334 -4.304
224 2HD PRO 37 1HD PRO 37 -6.114 1.160 -4.895
225 H CYS 38 HN CCU 38 -3.197 -2.226 -4.244
226 HA CYS 38 HA CCU 38 -0.523 -1.194 -4.403
227 1HB CYS 38 2HB CCU 38 -2.086 -2.300 -2.549
228 2HB CYS 38 1HB CCU 38 -1.238 -3.753 -3.050
229 H GLY 39 H GLY 39 1.053 -3.413 -4.031
230 1HA GLY 39 2HA GLY 39 1.601 -4.242 -6.733
231 2HA GLY 39 1HA GLY 39 2.388 -4.883 -5.291
232 H ASN 40 HN ASN 40 -0.676 -5.343 -4.482
233 HA ASN 40 HA ASN 40 -0.644 -8.176 -5.135
234 1HB ASN 40 2HB ASN 40 -2.846 -6.408 -4.021
235 2HB ASN 40 1HB ASN 40 -2.730 -8.161 -3.859
236 1HD2 ASN 40 2HD2 ASN 40 -1.119 -6.109 -0.961
237 2HD2 ASN 40 1HD2 ASN 40 -2.491 -5.708 -1.874
Start of MODEL 6
1 1H GLN 1 3H GLN 1 4.826 1.210 -10.095
2 2H GLN 1 2H GLN 1 4.538 0.992 -11.756
3 3H GLN 1 1H GLN 1 3.648 0.104 -10.612
4 HA GLN 1 HA GLN 1 5.260 -1.431 -10.332
5 1HB GLN 1 2HB GLN 1 4.894 -0.592 -12.892
6 2HB GLN 1 1HB GLN 1 6.638 -0.367 -12.739
7 1HG GLN 1 2HG GLN 1 7.008 -2.651 -12.250
8 2HG GLN 1 1HG GLN 1 5.309 -2.932 -11.869
9 1HE2 GLN 1 2HE2 GLN 1 5.309 -4.311 -15.183
10 2HE2 GLN 1 1HE2 GLN 1 5.459 -4.718 -13.542
11 H ASN 2 H ASN 2 6.962 1.511 -11.491
12 HA ASN 2 HA ASN 2 9.140 0.892 -9.524
13 1HB ASN 2 2HB ASN 2 9.485 0.878 -12.101
14 2HB ASN 2 1HB ASN 2 9.374 2.634 -11.976
15 1HD2 ASN 2 2HD2 ASN 2 12.970 1.776 -11.588
16 2HD2 ASN 2 1HD2 ASN 2 11.814 1.660 -12.826
17 H GLU 3 H GLU 3 6.923 2.251 -8.537
18 HA GLU 3 HA GLU 3 8.094 4.930 -7.990
19 1HB GLU 3 2HB GLU 3 5.612 4.283 -9.492
20 2HB GLU 3 1HB GLU 3 5.476 5.583 -8.306
21 1HG GLU 3 2HG GLU 3 7.793 5.536 -10.223
22 2HG GLU 3 1HG GLU 3 6.231 6.170 -10.742
23 H GLY 4 H GLY 4 7.633 2.369 -6.475
24 1HA GLY 4 2HA GLY 4 5.416 2.728 -4.682
25 2HA GLY 4 1HA GLY 4 6.813 1.694 -4.379
26 H HIS 5 H HIS 5 5.918 3.002 -2.196
27 HA HIS 5 HA HIS 5 8.137 4.859 -1.630
28 1HB HIS 5 2HB HIS 5 6.187 6.453 -0.710
29 2HB HIS 5 1HB HIS 5 6.760 6.565 -2.370
30 HD1 HIS 5 HD1 HIS 5 4.376 3.986 -0.868
31 HD2 HIS 5 HD2 HIS 5 4.420 6.953 -3.788
32 HE1 HIS 5 HE1 HIS 5 2.144 3.862 -2.052
33 H GLU 6 H GLU 6 5.255 5.147 0.265
34 HA GLU 6 HA GLU 6 6.330 3.152 2.225
35 1HB GLU 6 2HB GLU 6 5.886 4.824 3.978
36 2HB GLU 6 1HB GLU 6 6.977 5.493 2.765
37 1HG GLU 6 2HG GLU 6 4.717 6.288 1.639
38 2HG GLU 6 1HG GLU 6 4.097 6.135 3.283
39 H CYS 7 HN CNP 7 4.650 1.616 1.961
40 HA CYS 7 HA CNP 7 1.900 2.363 1.711
41 1HB CYS 7 2HB CNP 7 2.292 0.351 0.724
42 2HB CYS 7 1HB CNP 7 3.589 -0.079 1.751
43 H GLN 8 H GLN 8 1.455 3.611 3.539
44 HA GLN 8 HA GLN 8 1.850 2.438 6.214
45 1HB GLN 8 2HB GLN 8 0.484 4.542 6.830
46 2HB GLN 8 1HB GLN 8 2.053 4.832 6.093
47 1HG GLN 8 2HG GLN 8 0.263 6.278 5.143
48 2HG GLN 8 1HG GLN 8 1.002 5.252 3.923
49 1HE2 GLN 8 2HE2 GLN 8 -1.981 3.393 3.324
50 2HE2 GLN 8 1HE2 GLN 8 -0.308 3.469 3.052
51 H CYS 9 HN CCU 9 0.165 1.390 3.786
52 HA CYS 9 HA CCU 9 -2.584 1.549 4.305
53 1HB CYS 9 2HB CCU 9 -0.897 -0.728 3.270
54 2HB CYS 9 1HB CCU 9 -2.595 -0.478 2.994
55 H GLN 10 H GLN 10 -3.850 0.758 5.745
56 HA GLN 10 HA GLN 10 -2.901 -1.395 7.599
57 1HB GLN 10 2HB GLN 10 -4.446 -0.288 9.229
58 2HB GLN 10 1HB GLN 10 -3.187 0.815 8.675
59 1HG GLN 10 2HG GLN 10 -4.691 1.884 7.131
60 2HG GLN 10 1HG GLN 10 -5.931 0.658 7.403
61 1HE2 GLN 10 2HE2 GLN 10 -5.599 3.780 9.972
62 2HE2 GLN 10 1HE2 GLN 10 -4.568 3.629 8.631
63 H CYS 11 HN CNP 11 -4.432 -1.144 4.890
64 HA CYS 11 HA CNP 11 -7.140 -1.800 5.136
65 1HB CYS 11 2HB CNP 11 -5.106 -2.873 3.164
66 2HB CYS 11 1HB CNP 11 -6.806 -2.611 2.897
67 H GLY 12 H GLY 12 -7.118 -4.367 3.741
68 1HA GLY 12 2HA GLY 12 -6.572 -6.154 6.071
69 2HA GLY 12 1HA GLY 12 -7.806 -6.462 4.845
70 H SER 13 H SER 13 -5.792 -5.430 2.795
71 HA SER 13 HA SER 13 -4.341 -8.020 2.486
72 1HB SER 13 2HB SER 13 -5.206 -5.846 0.560
73 2HB SER 13 1HB SER 13 -4.235 -7.235 0.079
74 HG SER 13 HG SER 13 -6.598 -7.650 1.529
75 H CYS 14 HN CCU 14 -3.790 -5.004 3.640
76 HA CYS 14 HA CCU 14 -1.065 -4.748 2.540
77 1HB CYS 14 2HB CCU 14 -3.177 -3.015 3.677
78 2HB CYS 14 1HB CCU 14 -1.519 -2.538 3.934
79 H LYS 15 H LYS 15 -2.938 -5.075 5.379
80 HA LYS 15 HA LYS 15 -0.819 -4.823 7.338
81 1HB LYS 15 2HB LYS 15 -2.591 -5.870 8.805
82 2HB LYS 15 1HB LYS 15 -3.157 -4.468 7.897
83 1HG LYS 15 2HG LYS 15 -4.383 -5.776 6.388
84 2HG LYS 15 1HG LYS 15 -3.445 -7.228 6.738
85 1HD LYS 15 2HD LYS 15 -4.698 -6.267 9.156
86 2HD LYS 15 1HD LYS 15 -5.911 -6.472 7.891
87 1HE LYS 15 2HE LYS 15 -4.420 -8.747 7.550
88 2HE LYS 15 1HE LYS 15 -4.324 -8.523 9.308
89 1HZ LYS 15 1HZ LYS 15 -6.866 -7.887 8.869
90 2HZ LYS 15 3HZ LYS 15 -6.650 -9.029 7.633
91 3HZ LYS 15 2HZ LYS 15 -6.361 -9.464 9.251
92 H ASN 16 H ASN 16 -2.039 -7.448 5.361
93 HA ASN 16 HA ASN 16 -0.688 -9.545 6.929
94 1HB ASN 16 2HB ASN 16 -2.904 -9.499 5.432
95 2HB ASN 16 1HB ASN 16 -1.759 -9.927 4.160
96 1HD2 ASN 16 2HD2 ASN 16 -3.062 -12.905 6.323
97 2HD2 ASN 16 1HD2 ASN 16 -3.903 -11.490 5.909
98 H ASN 17 H ASN 17 -0.438 -8.408 3.531
99 HA ASN 17 HA ASN 17 2.211 -9.631 3.223
100 1HB ASN 17 2HB ASN 17 0.187 -8.163 1.592
101 2HB ASN 17 1HB ASN 17 1.852 -8.144 1.010
102 1HD2 ASN 17 2HD2 ASN 17 1.857 -11.570 0.093
103 2HD2 ASN 17 1HD2 ASN 17 2.791 -10.168 0.300
104 H GLU 18 H GLU 18 3.712 -8.546 4.536
105 HA GLU 18 HA GLU 18 3.803 -5.596 4.563
106 1HB GLU 18 2HB GLU 18 5.019 -7.899 6.035
107 2HB GLU 18 1HB GLU 18 5.888 -6.364 6.053
108 1HG GLU 18 2HG GLU 18 3.183 -5.711 6.509
109 2HG GLU 18 1HG GLU 18 3.511 -7.120 7.518
110 H GLN 19 H GLN 19 4.695 -7.702 2.305
111 HA GLN 19 HA GLN 19 7.501 -7.006 1.929
112 1HB GLN 19 2HB GLN 19 5.439 -8.733 0.766
113 2HB GLN 19 1HB GLN 19 6.527 -8.051 -0.444
114 1HG GLN 19 2HG GLN 19 8.261 -9.331 0.243
115 2HG GLN 19 1HG GLN 19 7.943 -8.982 1.942
116 1HE2 GLN 19 2HE2 GLN 19 5.680 -12.038 0.363
117 2HE2 GLN 19 1HE2 GLN 19 5.878 -10.608 -0.530
118 H CYS 20 HN CCU 20 4.716 -5.290 1.517
119 HA CYS 20 HA CCU 20 5.945 -3.589 -0.616
120 1HB CYS 20 2HB CCU 20 3.610 -3.214 -1.361
121 2HB CYS 20 1HB CCU 20 4.055 -4.907 -1.471
122 H GLN 21 H GLN 21 5.670 -3.553 2.513
123 HA GLN 21 HA GLN 21 3.984 -1.228 3.044
124 1HB GLN 21 2HB GLN 21 6.044 -2.797 4.621
125 2HB GLN 21 1HB GLN 21 5.089 -1.486 5.314
126 1HG GLN 21 2HG GLN 21 3.631 -3.642 3.847
127 2HG GLN 21 1HG GLN 21 4.267 -4.020 5.449
128 1HE2 GLN 21 2HE2 GLN 21 0.860 -1.998 5.256
129 2HE2 GLN 21 1HE2 GLN 21 1.491 -2.959 4.007
130 H LYS 22 H LYS 22 6.719 -1.303 1.324
131 HA LYS 22 HA LYS 22 7.549 1.401 2.248
132 1HB LYS 22 2HB LYS 22 9.128 -1.143 2.264
133 2HB LYS 22 1HB LYS 22 9.974 0.360 1.892
134 1HG LYS 22 2HG LYS 22 9.855 1.083 4.034
135 2HG LYS 22 1HG LYS 22 8.162 0.612 4.182
136 1HD LYS 22 2HD LYS 22 9.034 -0.937 5.629
137 2HD LYS 22 1HD LYS 22 9.292 -1.838 4.133
138 1HE LYS 22 2HE LYS 22 11.457 0.067 4.704
139 2HE LYS 22 1HE LYS 22 11.287 -1.197 5.938
140 1HZ LYS 22 1HZ LYS 22 11.030 -1.962 3.121
141 2HZ LYS 22 3HZ LYS 22 12.589 -1.654 3.714
142 3HZ LYS 22 2HZ LYS 22 11.632 -2.858 4.434
143 H SER 23 H SER 23 6.432 -0.293 -0.236
144 HA SER 23 HA SER 23 7.684 1.460 -2.241
145 1HB SER 23 2HB SER 23 8.334 -0.683 -3.562
146 2HB SER 23 1HB SER 23 9.369 -0.202 -2.221
147 HG SER 23 HG SER 23 7.180 -1.881 -1.726
148 H CYS 24 HN CNP 24 4.956 0.737 -1.155
149 HA CYS 24 HA CNP 24 3.585 -0.751 -3.238
150 1HB CYS 24 2HB CNP 24 1.962 -0.674 -1.602
151 2HB CYS 24 1HB CNP 24 3.303 -0.199 -0.624
152 H SER 25 H SER 25 1.949 0.295 -4.687
153 HA SER 25 HA SER 25 2.775 3.074 -5.422
154 1HB SER 25 2HB SER 25 2.734 0.894 -6.923
155 2HB SER 25 1HB SER 25 1.027 1.297 -7.090
156 HG SER 25 HG SER 25 2.930 3.327 -7.396
157 H CYS 26 HN CCU 26 1.021 2.953 -3.203
158 HA CYS 26 HA CCU 26 -1.653 3.638 -4.347
159 1HB CYS 26 2HB CCU 26 -0.746 3.067 -1.508
160 2HB CYS 26 1HB CCU 26 -2.413 3.253 -2.046
161 HA PRO 27 HA PRO 27 -0.735 7.850 -3.324
162 1HB PRO 27 2HB PRO 27 -3.222 8.868 -3.813
163 2HB PRO 27 1HB PRO 27 -2.113 8.381 -5.110
164 1HG PRO 27 2HG PRO 27 -4.531 7.035 -4.098
165 2HG PRO 27 1HG PRO 27 -3.789 6.975 -5.701
166 1HD PRO 27 2HD PRO 27 -3.603 5.017 -3.686
167 2HD PRO 27 1HD PRO 27 -2.656 5.092 -5.187
168 H THR 28 H THR 28 -2.334 9.637 -2.045
169 HA THR 28 HA THR 28 -2.649 8.420 0.632
170 HB THR 28 HB THR 28 -1.473 10.627 0.102
171 HG1 THR 28 HG1 THR 28 -2.581 11.704 1.884
172 1HG2 THR 28 3HG2 THR 28 -3.636 11.157 -1.416
173 2HG2 THR 28 2HG2 THR 28 -4.127 11.962 0.074
174 3HG2 THR 28 1HG2 THR 28 -2.624 12.424 -0.726
175 H GLY 29 H GLY 29 -4.485 7.458 -1.152
176 1HA GLY 29 2HA GLY 29 -7.016 8.500 0.007
177 2HA GLY 29 1HA GLY 29 -6.914 8.246 -1.742
178 H CYS 30 HN CCU 30 -5.020 6.166 0.219
179 HA CYS 30 HA CCU 30 -6.756 3.870 -0.542
180 1HB CYS 30 2HB CCU 30 -4.153 4.309 -0.820
181 2HB CYS 30 1HB CCU 30 -4.099 3.671 0.818
182 H ASN 31 H ASN 31 -7.977 5.285 1.432
183 HA ASN 31 HA ASN 31 -7.227 4.135 4.067
184 1HB ASN 31 2HB ASN 31 -8.103 6.577 3.267
185 2HB ASN 31 1HB ASN 31 -9.641 5.828 3.699
186 1HD2 ASN 31 2HD2 ASN 31 -8.608 7.188 6.903
187 2HD2 ASN 31 1HD2 ASN 31 -9.386 7.653 5.468
188 H SER 32 H SER 32 -9.127 3.222 1.446
189 HA SER 32 HA SER 32 -11.254 1.960 3.108
190 1HB SER 32 2HB SER 32 -10.960 1.874 0.107
191 2HB SER 32 1HB SER 32 -12.436 1.797 1.064
192 HG SER 32 HG SER 32 -11.072 3.950 0.127
193 H ASP 33 H ASP 33 -11.692 -0.210 1.227
194 HA ASP 33 HA ASP 33 -9.201 -1.837 1.517
195 1HB ASP 33 2HB ASP 33 -10.997 -2.014 3.401
196 2HB ASP 33 1HB ASP 33 -11.938 -2.903 2.200
197 H ASP 34 H ASP 34 -11.415 -0.666 -0.569
198 HA ASP 34 HA ASP 34 -11.154 -3.045 -2.355
199 1HB ASP 34 2HB ASP 34 -13.500 -2.427 -3.155
200 2HB ASP 34 1HB ASP 34 -13.419 -3.055 -1.508
201 H LYS 35 H LYS 35 -9.535 -0.785 -2.221
202 HA LYS 35 HA LYS 35 -9.615 0.075 -5.001
203 1HB LYS 35 2HB LYS 35 -10.896 1.623 -2.967
204 2HB LYS 35 1HB LYS 35 -9.427 2.485 -3.429
205 1HG LYS 35 2HG LYS 35 -10.081 2.394 -5.787
206 2HG LYS 35 1HG LYS 35 -11.519 1.460 -5.371
207 1HD LYS 35 2HD LYS 35 -12.540 3.490 -5.291
208 2HD LYS 35 1HD LYS 35 -11.782 3.614 -3.702
209 1HE LYS 35 2HE LYS 35 -9.863 4.795 -4.666
210 2HE LYS 35 1HE LYS 35 -10.539 4.602 -6.296
211 1HZ LYS 35 2HZ LYS 35 -12.641 5.593 -5.005
212 2HZ LYS 35 1HZ LYS 35 -11.395 6.354 -4.137
213 3HZ LYS 35 3HZ LYS 35 -11.510 6.569 -5.814
214 H CYS 36 HN CCU 36 -7.982 -1.426 -3.274
215 HA CYS 36 HA CCU 36 -5.584 0.311 -2.832
216 1HB CYS 36 2HB CCU 36 -6.612 -0.984 -0.963
217 2HB CYS 36 1HB CCU 36 -6.281 -2.471 -1.849
218 HA PRO 37 HA PRO 37 -4.181 -2.128 -6.401
219 1HB PRO 37 2HB PRO 37 -2.739 -0.110 -7.542
220 2HB PRO 37 1HB PRO 37 -4.488 -0.287 -7.779
221 1HG PRO 37 2HG PRO 37 -3.001 1.643 -6.124
222 2HG PRO 37 1HG PRO 37 -4.590 1.791 -6.884
223 1HD PRO 37 2HD PRO 37 -4.059 1.242 -4.169
224 2HD PRO 37 1HD PRO 37 -5.632 1.150 -4.988
225 H CYS 38 HN CCU 38 -3.048 -2.386 -3.835
226 HA CYS 38 HA CCU 38 -0.280 -1.535 -3.720
227 1HB CYS 38 2HB CCU 38 -2.138 -2.304 -1.972
228 2HB CYS 38 1HB CCU 38 -1.382 -3.866 -2.221
229 H GLY 39 H GLY 39 1.028 -3.819 -2.939
230 1HA GLY 39 2HA GLY 39 1.850 -4.975 -5.427
231 2HA GLY 39 1HA GLY 39 2.299 -5.585 -3.833
232 H ASN 40 HN ASN 40 0.105 -6.507 -2.690
233 HA ASN 40 HA ASN 40 -0.742 -8.718 -4.471
234 1HB ASN 40 2HB ASN 40 0.121 -9.055 -2.149
235 2HB ASN 40 1HB ASN 40 -1.259 -8.147 -1.532
236 1HD2 ASN 40 2HD2 ASN 40 -1.953 -11.906 -1.645
237 2HD2 ASN 40 1HD2 ASN 40 -0.611 -11.038 -1.070
Start of MODEL 7
1 1H GLN 1 2H GLN 1 11.506 1.661 -13.023
2 2H GLN 1 1H GLN 1 11.110 2.255 -14.565
3 3H GLN 1 3H GLN 1 11.441 3.336 -13.301
4 HA GLN 1 HA GLN 1 9.089 3.313 -13.541
5 1HB GLN 1 2HB GLN 1 7.983 1.015 -13.481
6 2HB GLN 1 1HB GLN 1 8.957 1.339 -14.916
7 1HG GLN 1 2HG GLN 1 10.618 -0.132 -14.295
8 2HG GLN 1 1HG GLN 1 10.332 0.109 -12.570
9 1HE2 GLN 1 2HE2 GLN 1 8.839 -3.164 -14.131
10 2HE2 GLN 1 1HE2 GLN 1 10.226 -2.334 -14.651
11 H ASN 2 H ASN 2 10.812 3.701 -11.340
12 HA ASN 2 HA ASN 2 9.928 2.021 -9.095
13 1HB ASN 2 2HB ASN 2 12.097 3.665 -9.751
14 2HB ASN 2 1HB ASN 2 11.266 4.536 -8.463
15 1HD2 ASN 2 2HD2 ASN 2 12.199 2.235 -5.949
16 2HD2 ASN 2 1HD2 ASN 2 11.342 3.649 -6.330
17 H GLU 3 H GLU 3 7.952 2.386 -8.150
18 HA GLU 3 HA GLU 3 7.045 5.222 -7.834
19 1HB GLU 3 2HB GLU 3 5.619 2.836 -9.015
20 2HB GLU 3 1HB GLU 3 4.718 4.204 -8.362
21 1HG GLU 3 2HG GLU 3 6.434 5.583 -9.869
22 2HG GLU 3 1HG GLU 3 6.472 4.070 -10.775
23 H GLY 4 H GLY 4 8.024 2.630 -6.190
24 1HA GLY 4 2HA GLY 4 5.792 2.377 -4.286
25 2HA GLY 4 1HA GLY 4 7.348 1.551 -4.175
26 H HIS 5 H HIS 5 6.149 2.873 -1.937
27 HA HIS 5 HA HIS 5 8.344 4.734 -1.301
28 1HB HIS 5 2HB HIS 5 6.361 6.366 -0.530
29 2HB HIS 5 1HB HIS 5 7.034 6.435 -2.155
30 HD1 HIS 5 HD1 HIS 5 4.479 3.980 -0.697
31 HD2 HIS 5 HD2 HIS 5 4.831 6.768 -3.766
32 HE1 HIS 5 HE1 HIS 5 2.317 3.887 -2.012
33 H GLU 6 H GLU 6 5.362 5.102 0.424
34 HA GLU 6 HA GLU 6 6.335 3.166 2.497
35 1HB GLU 6 2HB GLU 6 6.306 6.003 2.550
36 2HB GLU 6 1HB GLU 6 5.029 5.465 3.641
37 1HG GLU 6 2HG GLU 6 6.511 4.655 5.147
38 2HG GLU 6 1HG GLU 6 7.484 3.884 3.894
39 H CYS 7 HN CNP 7 4.680 1.614 2.189
40 HA CYS 7 HA CNP 7 1.919 2.395 1.888
41 1HB CYS 7 2HB CNP 7 2.286 0.462 0.781
42 2HB CYS 7 1HB CNP 7 3.594 -0.051 1.766
43 H GLN 8 H GLN 8 1.499 3.539 3.824
44 HA GLN 8 HA GLN 8 1.870 2.123 6.393
45 1HB GLN 8 2HB GLN 8 1.882 4.755 5.679
46 2HB GLN 8 1HB GLN 8 0.184 4.572 6.121
47 1HG GLN 8 2HG GLN 8 1.640 5.265 8.045
48 2HG GLN 8 1HG GLN 8 0.789 3.745 8.324
49 1HE2 GLN 8 2HE2 GLN 8 3.752 1.820 8.520
50 2HE2 GLN 8 1HE2 GLN 8 2.055 1.820 8.554
51 H CYS 9 HN CCU 9 0.179 1.306 3.918
52 HA CYS 9 HA CCU 9 -2.564 1.566 4.322
53 1HB CYS 9 2HB CCU 9 -0.864 -0.732 3.354
54 2HB CYS 9 1HB CCU 9 -2.579 -0.561 3.105
55 H GLN 10 H GLN 10 -3.910 0.900 5.750
56 HA GLN 10 HA GLN 10 -3.124 -1.215 7.719
57 1HB GLN 10 2HB GLN 10 -4.396 1.454 7.883
58 2HB GLN 10 1HB GLN 10 -5.217 0.204 8.819
59 1HG GLN 10 2HG GLN 10 -2.793 -0.392 9.632
60 2HG GLN 10 1HG GLN 10 -2.415 1.250 9.109
61 1HE2 GLN 10 2HE2 GLN 10 -4.870 0.687 12.350
62 2HE2 GLN 10 1HE2 GLN 10 -4.573 -0.604 11.289
63 H CYS 11 HN CNP 11 -4.530 -1.068 4.934
64 HA CYS 11 HA CNP 11 -7.262 -1.653 5.101
65 1HB CYS 11 2HB CNP 11 -5.144 -2.826 3.285
66 2HB CYS 11 1HB CNP 11 -6.835 -2.619 2.926
67 H GLY 12 H GLY 12 -7.012 -4.315 3.752
68 1HA GLY 12 2HA GLY 12 -6.674 -6.007 6.192
69 2HA GLY 12 1HA GLY 12 -7.928 -6.306 4.983
70 H SER 13 H SER 13 -5.736 -5.372 2.971
71 HA SER 13 HA SER 13 -4.427 -8.052 2.759
72 1HB SER 13 2HB SER 13 -5.787 -6.209 0.903
73 2HB SER 13 1HB SER 13 -4.275 -6.864 0.280
74 HG SER 13 HG SER 13 -5.114 -8.824 0.275
75 H CYS 14 HN CCU 14 -3.799 -4.973 3.690
76 HA CYS 14 HA CCU 14 -1.117 -4.804 2.488
77 1HB CYS 14 2HB CCU 14 -3.138 -3.019 3.708
78 2HB CYS 14 1HB CCU 14 -1.461 -2.572 3.905
79 H LYS 15 H LYS 15 -2.832 -5.067 5.439
80 HA LYS 15 HA LYS 15 -0.622 -4.797 7.276
81 1HB LYS 15 2HB LYS 15 -3.459 -5.579 7.269
82 2HB LYS 15 1HB LYS 15 -2.510 -6.392 8.515
83 1HG LYS 15 2HG LYS 15 -1.618 -3.743 8.586
84 2HG LYS 15 1HG LYS 15 -3.365 -3.612 8.377
85 1HD LYS 15 2HD LYS 15 -1.947 -5.233 10.514
86 2HD LYS 15 1HD LYS 15 -2.803 -3.710 10.766
87 1HE LYS 15 2HE LYS 15 -4.847 -4.944 9.705
88 2HE LYS 15 1HE LYS 15 -3.945 -6.421 10.103
89 1HZ LYS 15 1HZ LYS 15 -4.350 -4.222 12.049
90 2HZ LYS 15 3HZ LYS 15 -5.427 -5.526 11.920
91 3HZ LYS 15 2HZ LYS 15 -3.808 -5.802 12.356
92 H ASN 16 H ASN 16 -1.906 -7.484 5.404
93 HA ASN 16 HA ASN 16 -0.196 -9.447 6.828
94 1HB ASN 16 2HB ASN 16 -2.456 -9.444 4.868
95 2HB ASN 16 1HB ASN 16 -1.387 -10.848 4.881
96 1HD2 ASN 16 2HD2 ASN 16 -4.116 -10.439 7.807
97 2HD2 ASN 16 1HD2 ASN 16 -4.087 -9.436 6.438
98 H ASN 17 H ASN 17 -0.137 -7.423 4.032
99 HA ASN 17 HA ASN 17 2.001 -9.061 2.739
100 1HB ASN 17 2HB ASN 17 -0.131 -7.224 1.922
101 2HB ASN 17 1HB ASN 17 1.412 -6.849 1.154
102 1HD2 ASN 17 2HD2 ASN 17 0.489 -9.330 -1.217
103 2HD2 ASN 17 1HD2 ASN 17 0.692 -7.668 -0.941
104 H GLU 18 H GLU 18 3.621 -8.415 4.394
105 HA GLU 18 HA GLU 18 4.291 -5.575 4.682
106 1HB GLU 18 2HB GLU 18 6.095 -6.528 6.104
107 2HB GLU 18 1HB GLU 18 4.515 -7.196 6.514
108 1HG GLU 18 2HG GLU 18 4.991 -9.266 5.568
109 2HG GLU 18 1HG GLU 18 6.198 -8.600 4.469
110 H GLN 19 H GLN 19 4.698 -7.599 2.179
111 HA GLN 19 HA GLN 19 7.523 -7.079 1.580
112 1HB GLN 19 2HB GLN 19 5.395 -8.823 0.733
113 2HB GLN 19 1HB GLN 19 6.095 -8.036 -0.681
114 1HG GLN 19 2HG GLN 19 7.245 -10.182 -0.053
115 2HG GLN 19 1HG GLN 19 8.319 -8.782 -0.069
116 1HE2 GLN 19 2HE2 GLN 19 7.495 -10.659 3.467
117 2HE2 GLN 19 1HE2 GLN 19 6.636 -11.069 2.062
118 H CYS 20 HN CCU 20 4.822 -5.209 1.463
119 HA CYS 20 HA CCU 20 5.952 -3.508 -0.701
120 1HB CYS 20 2HB CCU 20 3.641 -3.210 -1.484
121 2HB CYS 20 1HB CCU 20 4.091 -4.904 -1.543
122 H GLN 21 H GLN 21 5.607 -3.591 2.441
123 HA GLN 21 HA GLN 21 3.909 -1.283 3.000
124 1HB GLN 21 2HB GLN 21 4.663 -1.679 5.278
125 2HB GLN 21 1HB GLN 21 4.341 -3.236 4.513
126 1HG GLN 21 2HG GLN 21 6.787 -3.374 3.936
127 2HG GLN 21 1HG GLN 21 7.042 -1.926 4.908
128 1HE2 GLN 21 2HE2 GLN 21 5.418 -4.555 7.460
129 2HE2 GLN 21 1HE2 GLN 21 4.510 -3.723 6.296
130 H LYS 22 H LYS 22 6.704 -1.357 1.379
131 HA LYS 22 HA LYS 22 7.532 1.325 2.373
132 1HB LYS 22 2HB LYS 22 9.906 0.513 2.326
133 2HB LYS 22 1HB LYS 22 8.922 -0.312 3.535
134 1HG LYS 22 2HG LYS 22 8.778 -2.281 2.262
135 2HG LYS 22 1HG LYS 22 9.193 -1.452 0.761
136 1HD LYS 22 2HD LYS 22 11.203 -1.430 2.975
137 2HD LYS 22 1HD LYS 22 10.994 -2.924 2.059
138 1HE LYS 22 2HE LYS 22 11.062 -1.000 0.063
139 2HE LYS 22 1HE LYS 22 12.261 -0.411 1.231
140 1HZ LYS 22 2HZ LYS 22 12.884 -2.923 1.339
141 2HZ LYS 22 1HZ LYS 22 12.172 -2.976 -0.204
142 3HZ LYS 22 3HZ LYS 22 13.495 -1.954 0.084
143 H SER 23 H SER 23 6.427 -0.328 -0.149
144 HA SER 23 HA SER 23 7.670 1.466 -2.121
145 1HB SER 23 2HB SER 23 8.466 -1.340 -1.684
146 2HB SER 23 1HB SER 23 8.095 -0.955 -3.362
147 HG SER 23 HG SER 23 10.296 -0.420 -2.063
148 H CYS 24 HN CNP 24 4.939 0.788 -1.084
149 HA CYS 24 HA CNP 24 3.581 -0.725 -3.153
150 1HB CYS 24 2HB CNP 24 1.939 -0.620 -1.538
151 2HB CYS 24 1HB CNP 24 3.267 -0.132 -0.554
152 H SER 25 H SER 25 1.875 0.326 -4.542
153 HA SER 25 HA SER 25 2.760 3.067 -5.374
154 1HB SER 25 2HB SER 25 1.224 2.077 -7.404
155 2HB SER 25 1HB SER 25 2.961 1.818 -7.278
156 HG SER 25 HG SER 25 0.828 0.113 -6.576
157 H CYS 26 HN CCU 26 1.045 3.020 -3.167
158 HA CYS 26 HA CCU 26 -1.663 3.606 -4.296
159 1HB CYS 26 2HB CCU 26 -0.661 3.099 -1.476
160 2HB CYS 26 1HB CCU 26 -2.350 3.322 -1.931
161 HA PRO 27 HA PRO 27 -0.756 7.881 -3.561
162 1HB PRO 27 2HB PRO 27 -3.264 8.845 -4.055
163 2HB PRO 27 1HB PRO 27 -2.169 8.313 -5.346
164 1HG PRO 27 2HG PRO 27 -4.511 6.933 -4.168
165 2HG PRO 27 1HG PRO 27 -3.895 6.903 -5.825
166 1HD PRO 27 2HD PRO 27 -3.517 4.904 -3.945
167 2HD PRO 27 1HD PRO 27 -2.529 5.139 -5.402
168 H THR 28 H THR 28 -2.365 9.705 -2.345
169 HA THR 28 HA THR 28 -2.599 8.616 0.395
170 HB THR 28 HB THR 28 -1.446 10.775 -0.126
171 HG1 THR 28 HG1 THR 28 -2.920 12.051 1.347
172 1HG2 THR 28 2HG2 THR 28 -3.921 11.196 -1.584
173 2HG2 THR 28 1HG2 THR 28 -3.595 12.534 -0.482
174 3HG2 THR 28 3HG2 THR 28 -2.398 12.078 -1.695
175 H GLY 29 H GLY 29 -4.454 7.536 -1.290
176 1HA GLY 29 2HA GLY 29 -6.972 8.556 -0.101
177 2HA GLY 29 1HA GLY 29 -6.913 8.281 -1.848
178 H CYS 30 HN CCU 30 -4.892 6.251 0.016
179 HA CYS 30 HA CCU 30 -6.612 3.917 -0.650
180 1HB CYS 30 2HB CCU 30 -4.066 4.321 -1.043
181 2HB CYS 30 1HB CCU 30 -3.900 3.849 0.644
182 H ASN 31 H ASN 31 -7.988 5.071 1.218
183 HA ASN 31 HA ASN 31 -7.158 3.979 3.879
184 1HB ASN 31 2HB ASN 31 -7.567 6.355 3.853
185 2HB ASN 31 1HB ASN 31 -9.083 6.139 2.977
186 1HD2 ASN 31 2HD2 ASN 31 -9.205 4.640 6.797
187 2HD2 ASN 31 1HD2 ASN 31 -7.927 4.206 5.768
188 H SER 32 H SER 32 -8.869 2.933 1.312
189 HA SER 32 HA SER 32 -11.164 1.867 2.912
190 1HB SER 32 2HB SER 32 -12.227 1.592 0.755
191 2HB SER 32 1HB SER 32 -11.506 3.199 0.786
192 HG SER 32 HG SER 32 -11.093 1.824 -1.127
193 H ASP 33 H ASP 33 -11.768 -0.377 1.439
194 HA ASP 33 HA ASP 33 -9.297 -2.067 1.639
195 1HB ASP 33 2HB ASP 33 -12.153 -2.589 2.518
196 2HB ASP 33 1HB ASP 33 -10.898 -3.827 2.498
197 H ASP 34 H ASP 34 -11.437 -0.824 -0.484
198 HA ASP 34 HA ASP 34 -11.175 -3.180 -2.294
199 1HB ASP 34 2HB ASP 34 -13.610 -1.706 -1.376
200 2HB ASP 34 1HB ASP 34 -13.582 -2.248 -3.054
201 H LYS 35 H LYS 35 -9.597 -0.892 -2.139
202 HA LYS 35 HA LYS 35 -9.733 0.021 -4.901
203 1HB LYS 35 2HB LYS 35 -11.157 1.456 -2.991
204 2HB LYS 35 1HB LYS 35 -9.622 2.322 -3.069
205 1HG LYS 35 2HG LYS 35 -10.097 1.937 -5.718
206 2HG LYS 35 1HG LYS 35 -11.750 2.064 -5.113
207 1HD LYS 35 2HD LYS 35 -10.028 4.068 -3.897
208 2HD LYS 35 1HD LYS 35 -10.015 4.194 -5.657
209 1HE LYS 35 2HE LYS 35 -12.005 5.277 -5.495
210 2HE LYS 35 1HE LYS 35 -12.716 3.742 -4.958
211 1HZ LYS 35 3HZ LYS 35 -11.189 5.448 -3.092
212 2HZ LYS 35 2HZ LYS 35 -12.841 5.732 -3.368
213 3HZ LYS 35 1HZ LYS 35 -12.327 4.241 -2.735
214 H CYS 36 HN CCU 36 -8.050 -1.461 -3.184
215 HA CYS 36 HA CCU 36 -5.668 0.309 -2.796
216 1HB CYS 36 2HB CCU 36 -6.641 -0.948 -0.892
217 2HB CYS 36 1HB CCU 36 -6.376 -2.453 -1.766
218 HA PRO 37 HA PRO 37 -4.301 -2.154 -6.370
219 1HB PRO 37 2HB PRO 37 -2.877 -0.138 -7.539
220 2HB PRO 37 1HB PRO 37 -4.629 -0.321 -7.756
221 1HG PRO 37 2HG PRO 37 -3.126 1.613 -6.112
222 2HG PRO 37 1HG PRO 37 -4.712 1.769 -6.876
223 1HD PRO 37 2HD PRO 37 -4.207 1.243 -4.161
224 2HD PRO 37 1HD PRO 37 -5.772 1.112 -4.993
225 H CYS 38 HN CCU 38 -3.128 -2.441 -3.844
226 HA CYS 38 HA CCU 38 -0.355 -1.570 -3.771
227 1HB CYS 38 2HB CCU 38 -2.198 -2.308 -1.988
228 2HB CYS 38 1HB CCU 38 -1.444 -3.875 -2.220
229 H GLY 39 H GLY 39 0.952 -3.845 -2.970
230 1HA GLY 39 2HA GLY 39 1.607 -5.103 -5.496
231 2HA GLY 39 1HA GLY 39 2.277 -5.547 -3.924
232 H ASN 40 HN ASN 40 -0.633 -5.792 -2.955
233 HA ASN 40 HA ASN 40 -0.880 -8.649 -3.370
234 1HB ASN 40 2HB ASN 40 -1.630 -6.956 -1.457
235 2HB ASN 40 1HB ASN 40 -3.119 -6.908 -2.402
236 1HD2 ASN 40 2HD2 ASN 40 -3.013 -10.747 -1.978
237 2HD2 ASN 40 1HD2 ASN 40 -2.527 -9.803 -3.303
Start of MODEL 8
1 1H GLN 1 1H GLN 1 16.014 4.358 -0.569
2 2H GLN 1 3H GLN 1 15.029 4.885 0.707
3 3H GLN 1 2H GLN 1 15.626 3.295 0.697
4 HA GLN 1 HA GLN 1 14.287 2.738 -1.219
5 1HB GLN 1 2HB GLN 1 13.305 2.388 0.938
6 2HB GLN 1 1HB GLN 1 12.986 4.112 1.145
7 1HG GLN 1 2HG GLN 1 11.763 3.162 -1.296
8 2HG GLN 1 1HG GLN 1 11.235 2.180 0.069
9 1HE2 GLN 1 2HE2 GLN 1 9.926 6.001 -0.277
10 2HE2 GLN 1 1HE2 GLN 1 10.958 5.311 -1.434
11 H ASN 2 H ASN 2 14.003 3.715 -3.197
12 HA ASN 2 HA ASN 2 12.639 6.386 -3.243
13 1HB ASN 2 2HB ASN 2 14.138 6.833 -5.243
14 2HB ASN 2 1HB ASN 2 14.990 6.710 -3.703
15 1HD2 ASN 2 2HD2 ASN 2 17.110 4.360 -5.284
16 2HD2 ASN 2 1HD2 ASN 2 16.987 5.875 -4.527
17 H GLU 3 H GLU 3 11.706 3.507 -3.627
18 HA GLU 3 HA GLU 3 10.974 3.485 -6.507
19 1HB GLU 3 2HB GLU 3 11.284 1.593 -4.286
20 2HB GLU 3 1HB GLU 3 9.834 1.293 -5.244
21 1HG GLU 3 2HG GLU 3 12.443 1.817 -6.637
22 2HG GLU 3 1HG GLU 3 12.115 0.214 -5.979
23 H GLY 4 H GLY 4 9.088 2.640 -3.587
24 1HA GLY 4 2HA GLY 4 6.738 3.972 -4.826
25 2HA GLY 4 1HA GLY 4 6.676 2.824 -3.488
26 H HIS 5 H HIS 5 6.369 3.698 -1.494
27 HA HIS 5 HA HIS 5 7.571 6.299 -0.790
28 1HB HIS 5 2HB HIS 5 4.983 6.813 -0.042
29 2HB HIS 5 1HB HIS 5 5.701 7.396 -1.540
30 HD1 HIS 5 HD1 HIS 5 3.084 5.102 -0.239
31 HD2 HIS 5 HD2 HIS 5 5.044 5.764 -3.848
32 HE1 HIS 5 HE1 HIS 5 1.775 3.843 -2.007
33 H GLU 6 H GLU 6 4.646 5.080 0.650
34 HA GLU 6 HA GLU 6 6.016 3.484 2.697
35 1HB GLU 6 2HB GLU 6 6.104 6.154 3.058
36 2HB GLU 6 1HB GLU 6 4.517 5.836 3.761
37 1HG GLU 6 2HG GLU 6 5.589 5.227 5.650
38 2HG GLU 6 1HG GLU 6 6.146 3.801 4.773
39 H CYS 7 HN CNP 7 4.450 1.839 2.187
40 HA CYS 7 HA CNP 7 1.666 2.366 1.987
41 1HB CYS 7 2HB CNP 7 2.263 0.467 0.892
42 2HB CYS 7 1HB CNP 7 3.528 0.046 1.962
43 H GLN 8 H GLN 8 1.236 3.552 3.898
44 HA GLN 8 HA GLN 8 1.569 2.212 6.506
45 1HB GLN 8 2HB GLN 8 1.706 4.736 6.057
46 2HB GLN 8 1HB GLN 8 -0.027 4.687 5.728
47 1HG GLN 8 2HG GLN 8 0.566 5.329 8.100
48 2HG GLN 8 1HG GLN 8 -0.503 3.932 7.970
49 1HE2 GLN 8 2HE2 GLN 8 1.898 1.633 9.236
50 2HE2 GLN 8 1HE2 GLN 8 0.419 1.792 8.419
51 H CYS 9 HN CCU 9 -0.054 1.370 3.928
52 HA CYS 9 HA CCU 9 -2.795 1.471 4.258
53 1HB CYS 9 2HB CCU 9 -0.963 -0.757 3.372
54 2HB CYS 9 1HB CCU 9 -2.667 -0.648 3.031
55 H GLN 10 H GLN 10 -4.190 0.689 5.603
56 HA GLN 10 HA GLN 10 -3.350 -1.319 7.659
57 1HB GLN 10 2HB GLN 10 -5.391 0.927 7.583
58 2HB GLN 10 1HB GLN 10 -5.382 -0.293 8.856
59 1HG GLN 10 2HG GLN 10 -3.210 0.361 9.603
60 2HG GLN 10 1HG GLN 10 -2.937 1.345 8.164
61 1HE2 GLN 10 2HE2 GLN 10 -4.019 3.578 11.000
62 2HE2 GLN 10 1HE2 GLN 10 -2.750 2.468 10.805
63 H CYS 11 HN CNP 11 -4.608 -1.272 4.731
64 HA CYS 11 HA CNP 11 -7.212 -2.280 4.737
65 1HB CYS 11 2HB CNP 11 -4.841 -3.068 3.021
66 2HB CYS 11 1HB CNP 11 -6.524 -3.113 2.568
67 H GLY 12 H GLY 12 -6.967 -4.818 3.518
68 1HA GLY 12 2HA GLY 12 -6.279 -6.502 5.878
69 2HA GLY 12 1HA GLY 12 -7.425 -6.958 4.612
70 H SER 13 H SER 13 -5.560 -5.857 2.538
71 HA SER 13 HA SER 13 -3.832 -8.264 2.339
72 1HB SER 13 2HB SER 13 -5.520 -6.960 0.595
73 2HB SER 13 1HB SER 13 -3.946 -6.329 0.120
74 HG SER 13 HG SER 13 -3.270 -8.347 -0.345
75 H CYS 14 HN CCU 14 -3.565 -5.238 3.564
76 HA CYS 14 HA CCU 14 -0.807 -4.781 2.623
77 1HB CYS 14 2HB CCU 14 -3.096 -3.198 3.636
78 2HB CYS 14 1HB CCU 14 -1.493 -2.612 3.987
79 H LYS 15 H LYS 15 -2.829 -5.223 5.348
80 HA LYS 15 HA LYS 15 -0.790 -4.899 7.403
81 1HB LYS 15 2HB LYS 15 -3.645 -5.465 7.136
82 2HB LYS 15 1HB LYS 15 -2.904 -6.419 8.423
83 1HG LYS 15 2HG LYS 15 -1.757 -4.058 8.971
84 2HG LYS 15 1HG LYS 15 -3.228 -3.463 8.201
85 1HD LYS 15 2HD LYS 15 -4.628 -4.530 9.786
86 2HD LYS 15 1HD LYS 15 -3.324 -5.572 10.358
87 1HE LYS 15 2HE LYS 15 -2.494 -3.968 11.764
88 2HE LYS 15 1HE LYS 15 -2.808 -2.659 10.606
89 1HZ LYS 15 3HZ LYS 15 -5.013 -4.122 11.926
90 2HZ LYS 15 2HZ LYS 15 -4.293 -2.769 12.658
91 3HZ LYS 15 1HZ LYS 15 -5.064 -2.613 11.152
92 H ASN 16 H ASN 16 -1.968 -7.541 5.423
93 HA ASN 16 HA ASN 16 -0.566 -9.585 7.052
94 1HB ASN 16 2HB ASN 16 -2.883 -9.763 5.914
95 2HB ASN 16 1HB ASN 16 -1.985 -9.929 4.403
96 1HD2 ASN 16 2HD2 ASN 16 -2.162 -13.411 5.242
97 2HD2 ASN 16 1HD2 ASN 16 -2.909 -12.191 4.329
98 H ASN 17 H ASN 17 -0.386 -8.056 3.838
99 HA ASN 17 HA ASN 17 2.111 -9.535 3.211
100 1HB ASN 17 2HB ASN 17 0.021 -7.966 1.803
101 2HB ASN 17 1HB ASN 17 1.647 -7.838 1.132
102 1HD2 ASN 17 2HD2 ASN 17 1.724 -11.563 0.753
103 2HD2 ASN 17 1HD2 ASN 17 2.639 -10.437 1.633
104 H GLU 18 H GLU 18 3.669 -8.566 4.587
105 HA GLU 18 HA GLU 18 3.925 -5.627 4.669
106 1HB GLU 18 2HB GLU 18 4.408 -7.769 6.388
107 2HB GLU 18 1HB GLU 18 6.022 -7.247 5.906
108 1HG GLU 18 2HG GLU 18 5.720 -5.084 6.764
109 2HG GLU 18 1HG GLU 18 3.961 -5.223 6.750
110 H GLN 19 H GLN 19 4.701 -7.765 2.384
111 HA GLN 19 HA GLN 19 7.528 -7.150 1.973
112 1HB GLN 19 2HB GLN 19 5.349 -8.719 0.678
113 2HB GLN 19 1HB GLN 19 6.708 -8.248 -0.343
114 1HG GLN 19 2HG GLN 19 7.154 -9.520 2.355
115 2HG GLN 19 1HG GLN 19 6.887 -10.503 0.914
116 1HE2 GLN 19 2HE2 GLN 19 10.405 -8.453 1.339
117 2HE2 GLN 19 1HE2 GLN 19 9.103 -8.124 2.376
118 H CYS 20 HN CCU 20 4.854 -5.292 1.675
119 HA CYS 20 HA CCU 20 6.057 -3.678 -0.528
120 1HB CYS 20 2HB CCU 20 3.752 -3.355 -1.329
121 2HB CYS 20 1HB CCU 20 4.172 -5.060 -1.327
122 H GLN 21 H GLN 21 5.912 -3.490 2.557
123 HA GLN 21 HA GLN 21 4.141 -1.203 3.039
124 1HB GLN 21 2HB GLN 21 6.315 -2.532 4.688
125 2HB GLN 21 1HB GLN 21 5.143 -1.368 5.305
126 1HG GLN 21 2HG GLN 21 3.916 -3.595 3.833
127 2HG GLN 21 1HG GLN 21 4.785 -4.099 5.283
128 1HE2 GLN 21 2HE2 GLN 21 1.210 -2.340 5.696
129 2HE2 GLN 21 1HE2 GLN 21 1.801 -2.905 4.209
130 H LYS 22 H LYS 22 6.824 -1.283 1.259
131 HA LYS 22 HA LYS 22 7.658 1.447 2.120
132 1HB LYS 22 2HB LYS 22 10.039 0.695 1.909
133 2HB LYS 22 1HB LYS 22 9.172 -0.141 3.197
134 1HG LYS 22 2HG LYS 22 9.528 -2.131 2.209
135 2HG LYS 22 1HG LYS 22 8.808 -1.552 0.706
136 1HD LYS 22 2HD LYS 22 10.907 -1.806 -0.134
137 2HD LYS 22 1HD LYS 22 11.221 -0.265 0.664
138 1HE LYS 22 2HE LYS 22 11.846 -1.616 2.748
139 2HE LYS 22 1HE LYS 22 11.841 -3.046 1.697
140 1HZ LYS 22 1HZ LYS 22 13.350 -1.880 0.190
141 2HZ LYS 22 3HZ LYS 22 13.395 -0.552 1.244
142 3HZ LYS 22 2HZ LYS 22 14.036 -2.047 1.735
143 H SER 23 H SER 23 6.459 -0.336 -0.290
144 HA SER 23 HA SER 23 7.426 1.496 -2.374
145 1HB SER 23 2HB SER 23 9.152 -0.355 -2.076
146 2HB SER 23 1HB SER 23 7.917 -1.486 -2.621
147 HG SER 23 HG SER 23 7.982 0.572 -4.311
148 H CYS 24 HN CNP 24 4.836 0.790 -1.178
149 HA CYS 24 HA CNP 24 3.406 -0.949 -3.006
150 1HB CYS 24 2HB CNP 24 1.861 -0.723 -1.310
151 2HB CYS 24 1HB CNP 24 3.239 -0.134 -0.457
152 H SER 25 H SER 25 2.212 -0.275 -4.817
153 HA SER 25 HA SER 25 2.678 2.455 -5.798
154 1HB SER 25 2HB SER 25 1.521 -0.122 -6.794
155 2HB SER 25 1HB SER 25 1.136 1.359 -7.664
156 HG SER 25 HG SER 25 3.024 0.464 -8.495
157 H CYS 26 HN CCU 26 1.215 2.959 -3.599
158 HA CYS 26 HA CCU 26 -1.591 3.319 -4.585
159 1HB CYS 26 2HB CCU 26 -0.450 2.942 -1.803
160 2HB CYS 26 1HB CCU 26 -2.150 3.222 -2.162
161 HA PRO 27 HA PRO 27 -0.718 7.622 -4.053
162 1HB PRO 27 2HB PRO 27 -3.275 8.542 -4.336
163 2HB PRO 27 1HB PRO 27 -2.307 7.964 -5.706
164 1HG PRO 27 2HG PRO 27 -4.526 6.639 -4.270
165 2HG PRO 27 1HG PRO 27 -4.029 6.503 -5.962
166 1HD PRO 27 2HD PRO 27 -3.492 4.650 -3.945
167 2HD PRO 27 1HD PRO 27 -2.685 4.735 -5.525
168 H THR 28 H THR 28 -2.164 9.491 -2.728
169 HA THR 28 HA THR 28 -2.177 8.452 0.045
170 HB THR 28 HB THR 28 -0.977 10.529 -0.473
171 HG1 THR 28 HG1 THR 28 -1.749 10.798 1.491
172 1HG2 THR 28 2HG2 THR 28 -3.644 11.325 -1.636
173 2HG2 THR 28 1HG2 THR 28 -2.446 12.530 -1.166
174 3HG2 THR 28 3HG2 THR 28 -2.060 11.344 -2.413
175 H GLY 29 H GLY 29 -4.209 7.430 -1.465
176 1HA GLY 29 2HA GLY 29 -6.573 8.545 -0.061
177 2HA GLY 29 1HA GLY 29 -6.682 8.266 -1.806
178 H CYS 30 HN CCU 30 -4.582 6.176 -0.096
179 HA CYS 30 HA CCU 30 -6.350 3.878 -0.683
180 1HB CYS 30 2HB CCU 30 -3.784 4.233 -1.026
181 2HB CYS 30 1HB CCU 30 -3.670 3.785 0.672
182 H ASN 31 H ASN 31 -7.588 5.325 1.245
183 HA ASN 31 HA ASN 31 -6.859 4.192 3.897
184 1HB ASN 31 2HB ASN 31 -8.446 6.457 2.799
185 2HB ASN 31 1HB ASN 31 -9.017 5.771 4.321
186 1HD2 ASN 31 2HD2 ASN 31 -6.223 8.406 4.747
187 2HD2 ASN 31 1HD2 ASN 31 -7.538 8.404 3.674
188 H SER 32 H SER 32 -8.849 3.438 1.262
189 HA SER 32 HA SER 32 -10.935 2.116 2.929
190 1HB SER 32 2HB SER 32 -11.078 3.599 0.674
191 2HB SER 32 1HB SER 32 -10.909 2.001 -0.049
192 HG SER 32 HG SER 32 -13.098 2.562 0.367
193 H ASP 33 H ASP 33 -11.465 -0.180 2.399
194 HA ASP 33 HA ASP 33 -8.984 -1.726 1.842
195 1HB ASP 33 2HB ASP 33 -10.391 -2.030 3.922
196 2HB ASP 33 1HB ASP 33 -11.679 -2.642 2.884
197 H ASP 34 H ASP 34 -11.395 -0.516 0.025
198 HA ASP 34 HA ASP 34 -11.325 -2.855 -1.832
199 1HB ASP 34 2HB ASP 34 -13.662 -1.086 -1.038
200 2HB ASP 34 1HB ASP 34 -13.720 -2.207 -2.398
201 H LYS 35 H LYS 35 -9.662 -0.623 -1.771
202 HA LYS 35 HA LYS 35 -9.943 0.304 -4.519
203 1HB LYS 35 2HB LYS 35 -10.956 1.837 -2.291
204 2HB LYS 35 1HB LYS 35 -9.589 2.694 -3.003
205 1HG LYS 35 2HG LYS 35 -10.618 2.835 -5.117
206 2HG LYS 35 1HG LYS 35 -11.762 1.544 -4.746
207 1HD LYS 35 2HD LYS 35 -12.829 3.012 -3.044
208 2HD LYS 35 1HD LYS 35 -11.728 4.311 -3.505
209 1HE LYS 35 2HE LYS 35 -12.608 4.060 -5.887
210 2HE LYS 35 1HE LYS 35 -13.876 3.020 -5.210
211 1HZ LYS 35 2HZ LYS 35 -13.305 5.561 -3.871
212 2HZ LYS 35 1HZ LYS 35 -14.183 5.614 -5.325
213 3HZ LYS 35 3HZ LYS 35 -14.775 4.719 -4.011
214 H CYS 36 HN CCU 36 -8.196 -1.271 -2.995
215 HA CYS 36 HA CCU 36 -5.746 0.410 -2.634
216 1HB CYS 36 2HB CCU 36 -6.607 -0.985 -0.789
217 2HB CYS 36 1HB CCU 36 -6.484 -2.413 -1.810
218 HA PRO 37 HA PRO 37 -4.652 -1.761 -6.485
219 1HB PRO 37 2HB PRO 37 -3.297 0.337 -7.591
220 2HB PRO 37 1HB PRO 37 -5.060 0.171 -7.701
221 1HG PRO 37 2HG PRO 37 -3.443 1.993 -6.045
222 2HG PRO 37 1HG PRO 37 -5.094 2.176 -6.651
223 1HD PRO 37 2HD PRO 37 -4.316 1.437 -4.038
224 2HD PRO 37 1HD PRO 37 -5.957 1.411 -4.716
225 H CYS 38 HN CCU 38 -3.319 -2.260 -4.087
226 HA CYS 38 HA CCU 38 -0.550 -1.394 -4.107
227 1HB CYS 38 2HB CCU 38 -2.265 -2.324 -2.293
228 2HB CYS 38 1HB CCU 38 -1.533 -3.854 -2.733
229 H GLY 39 H GLY 39 0.815 -3.728 -3.634
230 1HA GLY 39 2HA GLY 39 1.309 -4.702 -6.318
231 2HA GLY 39 1HA GLY 39 2.087 -5.298 -4.851
232 H ASN 40 HN ASN 40 -0.477 -5.907 -3.526
233 HA ASN 40 HA ASN 40 -1.807 -7.901 -5.238
234 1HB ASN 40 2HB ASN 40 0.209 -9.092 -4.656
235 2HB ASN 40 1HB ASN 40 0.070 -8.608 -2.966
236 1HD2 ASN 40 2HD2 ASN 40 -2.864 -11.214 -4.194
237 2HD2 ASN 40 1HD2 ASN 40 -2.500 -9.859 -5.151
Start of MODEL 9
1 1H GLN 1 3H GLN 1 6.261 -1.163 -10.063
2 2H GLN 1 2H GLN 1 6.080 -0.249 -11.484
3 3H GLN 1 1H GLN 1 7.034 -1.655 -11.490
4 HA GLN 1 HA GLN 1 8.530 0.187 -11.431
5 1HB GLN 1 2HB GLN 1 6.350 1.116 -9.664
6 2HB GLN 1 1HB GLN 1 7.967 1.588 -9.142
7 1HG GLN 1 2HG GLN 1 7.174 3.322 -10.608
8 2HG GLN 1 1HG GLN 1 8.383 2.404 -11.506
9 1HE2 GLN 1 2HE2 GLN 1 4.470 1.553 -12.465
10 2HE2 GLN 1 1HE2 GLN 1 4.899 1.738 -10.834
11 H ASN 2 H ASN 2 10.195 0.617 -9.561
12 HA ASN 2 HA ASN 2 10.516 -1.944 -8.070
13 1HB ASN 2 2HB ASN 2 12.326 0.307 -8.961
14 2HB ASN 2 1HB ASN 2 12.879 -0.926 -7.827
15 1HD2 ASN 2 2HD2 ASN 2 12.324 -1.899 -11.761
16 2HD2 ASN 2 1HD2 ASN 2 11.779 -0.404 -11.169
17 H GLU 3 H GLU 3 10.479 1.583 -7.582
18 HA GLU 3 HA GLU 3 10.465 1.123 -4.622
19 1HB GLU 3 2HB GLU 3 12.047 2.705 -6.207
20 2HB GLU 3 1HB GLU 3 10.789 3.846 -5.729
21 1HG GLU 3 2HG GLU 3 11.538 3.937 -3.597
22 2HG GLU 3 1HG GLU 3 11.712 2.184 -3.501
23 H GLY 4 H GLY 4 9.173 3.078 -3.541
24 1HA GLY 4 2HA GLY 4 6.818 3.953 -5.053
25 2HA GLY 4 1HA GLY 4 6.467 2.773 -3.788
26 H HIS 5 H HIS 5 6.272 3.515 -1.701
27 HA HIS 5 HA HIS 5 7.566 6.049 -0.906
28 1HB HIS 5 2HB HIS 5 5.020 6.609 -0.088
29 2HB HIS 5 1HB HIS 5 5.703 7.201 -1.599
30 HD1 HIS 5 HD1 HIS 5 3.055 4.981 -0.256
31 HD2 HIS 5 HD2 HIS 5 4.948 5.601 -3.910
32 HE1 HIS 5 HE1 HIS 5 1.659 3.783 -1.998
33 H GLU 6 H GLU 6 4.648 4.864 0.570
34 HA GLU 6 HA GLU 6 6.032 3.150 2.512
35 1HB GLU 6 2HB GLU 6 5.255 4.736 4.387
36 2HB GLU 6 1HB GLU 6 6.635 5.271 3.426
37 1HG GLU 6 2HG GLU 6 4.098 6.060 2.219
38 2HG GLU 6 1HG GLU 6 4.283 6.707 3.850
39 H CYS 7 HN CNP 7 4.380 1.579 1.963
40 HA CYS 7 HA CNP 7 1.613 2.201 1.906
41 1HB CYS 7 2HB CNP 7 2.073 0.348 0.732
42 2HB CYS 7 1HB CNP 7 3.384 -0.173 1.720
43 H GLN 8 H GLN 8 1.284 3.318 3.888
44 HA GLN 8 HA GLN 8 1.651 1.800 6.400
45 1HB GLN 8 2HB GLN 8 0.350 4.481 5.745
46 2HB GLN 8 1HB GLN 8 0.706 3.887 7.369
47 1HG GLN 8 2HG GLN 8 2.730 4.499 5.193
48 2HG GLN 8 1HG GLN 8 2.477 5.417 6.679
49 1HE2 GLN 8 2HE2 GLN 8 4.712 2.013 6.769
50 2HE2 GLN 8 1HE2 GLN 8 3.970 2.530 5.332
51 H CYS 9 HN CCU 9 -0.059 1.172 3.876
52 HA CYS 9 HA CCU 9 -2.781 1.444 4.176
53 1HB CYS 9 2HB CCU 9 -1.029 -0.848 3.314
54 2HB CYS 9 1HB CCU 9 -2.740 -0.766 3.023
55 H GLN 10 H GLN 10 -4.252 0.767 5.497
56 HA GLN 10 HA GLN 10 -3.573 -1.229 7.620
57 1HB GLN 10 2HB GLN 10 -4.957 1.342 7.497
58 2HB GLN 10 1HB GLN 10 -5.980 0.098 8.216
59 1HG GLN 10 2HG GLN 10 -4.457 -0.327 9.957
60 2HG GLN 10 1HG GLN 10 -3.112 0.410 9.084
61 1HE2 GLN 10 2HE2 GLN 10 -5.313 2.692 11.542
62 2HE2 GLN 10 1HE2 GLN 10 -5.427 0.999 11.502
63 H CYS 11 HN CNP 11 -4.682 -1.255 4.646
64 HA CYS 11 HA CNP 11 -7.319 -2.181 4.558
65 1HB CYS 11 2HB CNP 11 -4.888 -3.079 2.990
66 2HB CYS 11 1HB CNP 11 -6.545 -3.113 2.455
67 H GLY 12 H GLY 12 -7.035 -4.780 3.415
68 1HA GLY 12 2HA GLY 12 -6.513 -6.392 5.871
69 2HA GLY 12 1HA GLY 12 -7.645 -6.853 4.594
70 H SER 13 H SER 13 -5.667 -5.880 2.542
71 HA SER 13 HA SER 13 -4.031 -8.362 2.480
72 1HB SER 13 2HB SER 13 -4.996 -6.331 0.475
73 2HB SER 13 1HB SER 13 -3.703 -7.453 0.058
74 HG SER 13 HG SER 13 -6.372 -8.007 0.822
75 H CYS 14 HN CCU 14 -3.702 -5.272 3.544
76 HA CYS 14 HA CCU 14 -0.910 -4.934 2.671
77 1HB CYS 14 2HB CCU 14 -3.166 -3.276 3.620
78 2HB CYS 14 1HB CCU 14 -1.556 -2.732 4.012
79 H LYS 15 H LYS 15 -2.968 -5.332 5.363
80 HA LYS 15 HA LYS 15 -1.067 -4.935 7.494
81 1HB LYS 15 2HB LYS 15 -2.837 -5.969 8.845
82 2HB LYS 15 1HB LYS 15 -3.561 -4.874 7.666
83 1HG LYS 15 2HG LYS 15 -4.747 -6.567 6.783
84 2HG LYS 15 1HG LYS 15 -3.263 -7.464 6.462
85 1HD LYS 15 2HD LYS 15 -3.370 -8.632 8.475
86 2HD LYS 15 1HD LYS 15 -4.357 -7.396 9.257
87 1HE LYS 15 2HE LYS 15 -5.996 -8.186 7.187
88 2HE LYS 15 1HE LYS 15 -5.207 -9.709 7.641
89 1HZ LYS 15 1HZ LYS 15 -5.654 -9.064 10.005
90 2HZ LYS 15 3HZ LYS 15 -6.649 -7.822 9.420
91 3HZ LYS 15 2HZ LYS 15 -7.040 -9.444 9.097
92 H ASN 16 H ASN 16 -1.365 -7.431 5.194
93 HA ASN 16 HA ASN 16 0.100 -9.349 6.979
94 1HB ASN 16 2HB ASN 16 -1.999 -9.586 4.866
95 2HB ASN 16 1HB ASN 16 -0.826 -10.897 4.992
96 1HD2 ASN 16 2HD2 ASN 16 -1.924 -11.870 8.291
97 2HD2 ASN 16 1HD2 ASN 16 -0.538 -11.794 7.313
98 H ASN 17 H ASN 17 0.000 -7.791 3.807
99 HA ASN 17 HA ASN 17 2.372 -9.209 2.817
100 1HB ASN 17 2HB ASN 17 0.255 -8.142 1.620
101 2HB ASN 17 1HB ASN 17 1.258 -6.691 1.629
102 1HD2 ASN 17 2HD2 ASN 17 1.930 -8.920 -1.419
103 2HD2 ASN 17 1HD2 ASN 17 0.465 -8.433 -0.713
104 H GLU 18 H GLU 18 4.099 -8.657 4.229
105 HA GLU 18 HA GLU 18 4.669 -5.811 4.793
106 1HB GLU 18 2HB GLU 18 5.586 -8.512 5.685
107 2HB GLU 18 1HB GLU 18 6.707 -7.165 5.888
108 1HG GLU 18 2HG GLU 18 5.520 -6.328 7.613
109 2HG GLU 18 1HG GLU 18 4.011 -6.435 6.707
110 H GLN 19 H GLN 19 5.053 -7.511 2.094
111 HA GLN 19 HA GLN 19 7.912 -6.880 1.609
112 1HB GLN 19 2HB GLN 19 6.199 -8.938 0.893
113 2HB GLN 19 1HB GLN 19 6.290 -7.973 -0.581
114 1HG GLN 19 2HG GLN 19 8.602 -9.168 0.969
115 2HG GLN 19 1HG GLN 19 8.083 -9.585 -0.665
116 1HE2 GLN 19 2HE2 GLN 19 9.578 -6.700 -2.160
117 2HE2 GLN 19 1HE2 GLN 19 8.387 -7.891 -2.367
118 H CYS 20 HN CCU 20 5.107 -5.204 1.493
119 HA CYS 20 HA CCU 20 6.098 -3.416 -0.657
120 1HB CYS 20 2HB CCU 20 3.863 -3.399 -1.582
121 2HB CYS 20 1HB CCU 20 4.389 -5.067 -1.472
122 H GLN 21 H GLN 21 5.538 -3.606 2.491
123 HA GLN 21 HA GLN 21 3.645 -1.453 2.937
124 1HB GLN 21 2HB GLN 21 4.449 -1.691 5.304
125 2HB GLN 21 1HB GLN 21 3.920 -3.203 4.577
126 1HG GLN 21 2HG GLN 21 5.987 -3.611 5.764
127 2HG GLN 21 1HG GLN 21 6.327 -3.711 4.042
128 1HE2 GLN 21 2HE2 GLN 21 8.987 -1.482 4.657
129 2HE2 GLN 21 1HE2 GLN 21 8.528 -3.040 4.171
130 H LYS 22 H LYS 22 6.538 -1.208 1.521
131 HA LYS 22 HA LYS 22 6.955 1.544 2.581
132 1HB LYS 22 2HB LYS 22 8.654 -0.785 2.941
133 2HB LYS 22 1HB LYS 22 9.515 0.505 2.106
134 1HG LYS 22 2HG LYS 22 7.913 1.570 4.278
135 2HG LYS 22 1HG LYS 22 9.035 0.343 4.865
136 1HD LYS 22 2HD LYS 22 10.924 1.503 4.015
137 2HD LYS 22 1HD LYS 22 9.925 2.547 3.003
138 1HE LYS 22 2HE LYS 22 8.913 3.506 5.107
139 2HE LYS 22 1HE LYS 22 10.114 2.585 6.034
140 1HZ LYS 22 2HZ LYS 22 11.813 3.596 4.491
141 2HZ LYS 22 1HZ LYS 22 10.601 4.675 3.989
142 3HZ LYS 22 3HZ LYS 22 11.107 4.664 5.607
143 H SER 23 H SER 23 6.244 -0.218 -0.017
144 HA SER 23 HA SER 23 7.294 1.778 -1.906
145 1HB SER 23 2HB SER 23 8.686 0.249 -3.119
146 2HB SER 23 1HB SER 23 9.102 0.019 -1.423
147 HG SER 23 HG SER 23 7.629 -1.614 -3.164
148 H CYS 24 HN CNP 24 4.659 0.875 -1.068
149 HA CYS 24 HA CNP 24 3.569 -0.927 -3.056
150 1HB CYS 24 2HB CNP 24 1.814 -0.812 -1.562
151 2HB CYS 24 1HB CNP 24 3.083 -0.235 -0.550
152 H SER 25 H SER 25 1.835 -0.220 -4.583
153 HA SER 25 HA SER 25 2.543 2.385 -5.826
154 1HB SER 25 2HB SER 25 1.097 -0.127 -6.656
155 2HB SER 25 1HB SER 25 1.030 1.328 -7.647
156 HG SER 25 HG SER 25 2.819 0.429 -8.392
157 H CYS 26 HN CCU 26 1.094 2.836 -3.501
158 HA CYS 26 HA CCU 26 -1.678 3.401 -4.492
159 1HB CYS 26 2HB CCU 26 -0.533 2.933 -1.725
160 2HB CYS 26 1HB CCU 26 -2.217 3.332 -2.051
161 HA PRO 27 HA PRO 27 -0.628 7.659 -3.931
162 1HB PRO 27 2HB PRO 27 -3.142 8.680 -4.238
163 2HB PRO 27 1HB PRO 27 -2.192 8.048 -5.596
164 1HG PRO 27 2HG PRO 27 -4.499 6.862 -4.200
165 2HG PRO 27 1HG PRO 27 -3.937 6.628 -5.860
166 1HD PRO 27 2HD PRO 27 -3.554 4.878 -3.684
167 2HD PRO 27 1HD PRO 27 -2.788 4.773 -5.283
168 H THR 28 H THR 28 -2.024 9.602 -2.653
169 HA THR 28 HA THR 28 -2.100 8.620 0.139
170 HB THR 28 HB THR 28 -0.849 10.687 -0.622
171 HG1 THR 28 HG1 THR 28 -2.957 11.005 1.246
172 1HG2 THR 28 3HG2 THR 28 -3.462 11.254 -1.719
173 2HG2 THR 28 2HG2 THR 28 -2.960 12.552 -0.637
174 3HG2 THR 28 1HG2 THR 28 -1.936 12.094 -1.997
175 H GLY 29 H GLY 29 -4.152 7.666 -1.413
176 1HA GLY 29 2HA GLY 29 -6.495 8.898 -0.062
177 2HA GLY 29 1HA GLY 29 -6.586 8.563 -1.797
178 H CYS 30 HN CCU 30 -4.597 6.473 0.044
179 HA CYS 30 HA CCU 30 -6.408 4.202 -0.505
180 1HB CYS 30 2HB CCU 30 -3.794 4.554 -0.740
181 2HB CYS 30 1HB CCU 30 -3.794 4.035 0.941
182 H ASN 31 H ASN 31 -7.685 5.722 1.325
183 HA ASN 31 HA ASN 31 -7.019 4.727 4.049
184 1HB ASN 31 2HB ASN 31 -7.627 7.156 3.295
185 2HB ASN 31 1HB ASN 31 -9.286 6.559 3.287
186 1HD2 ASN 31 2HD2 ASN 31 -7.619 7.541 6.789
187 2HD2 ASN 31 1HD2 ASN 31 -6.954 7.966 5.287
188 H SER 32 H SER 32 -8.517 3.321 1.588
189 HA SER 32 HA SER 32 -10.805 2.305 3.247
190 1HB SER 32 2HB SER 32 -10.823 3.620 0.807
191 2HB SER 32 1HB SER 32 -10.927 1.927 0.335
192 HG SER 32 HG SER 32 -12.525 3.021 2.396
193 H ASP 33 H ASP 33 -11.467 0.052 1.864
194 HA ASP 33 HA ASP 33 -8.928 -1.539 1.734
195 1HB ASP 33 2HB ASP 33 -10.427 -1.700 3.839
196 2HB ASP 33 1HB ASP 33 -11.566 -2.554 2.797
197 H ASP 34 H ASP 34 -11.323 -0.395 -0.118
198 HA ASP 34 HA ASP 34 -11.330 -2.842 -1.831
199 1HB ASP 34 2HB ASP 34 -13.688 -2.363 -2.364
200 2HB ASP 34 1HB ASP 34 -13.497 -2.511 -0.617
201 H LYS 35 H LYS 35 -9.589 -0.678 -1.915
202 HA LYS 35 HA LYS 35 -9.869 0.101 -4.705
203 1HB LYS 35 2HB LYS 35 -11.242 1.731 -3.214
204 2HB LYS 35 1HB LYS 35 -9.676 2.297 -2.629
205 1HG LYS 35 2HG LYS 35 -8.997 2.961 -4.836
206 2HG LYS 35 1HG LYS 35 -10.392 2.165 -5.565
207 1HD LYS 35 2HD LYS 35 -11.366 3.969 -3.582
208 2HD LYS 35 1HD LYS 35 -10.206 4.844 -4.581
209 1HE LYS 35 2HE LYS 35 -11.846 5.049 -6.135
210 2HE LYS 35 1HE LYS 35 -11.734 3.295 -6.385
211 1HZ LYS 35 2HZ LYS 35 -13.292 4.560 -4.195
212 2HZ LYS 35 1HZ LYS 35 -13.975 4.063 -5.669
213 3HZ LYS 35 3HZ LYS 35 -13.281 2.917 -4.629
214 H CYS 36 HN CCU 36 -8.156 -1.449 -3.099
215 HA CYS 36 HA CCU 36 -5.643 0.179 -2.949
216 1HB CYS 36 2HB CCU 36 -6.549 -1.029 -0.945
217 2HB CYS 36 1HB CCU 36 -6.318 -2.547 -1.809
218 HA PRO 37 HA PRO 37 -4.741 -2.443 -6.553
219 1HB PRO 37 2HB PRO 37 -3.401 -0.513 -7.948
220 2HB PRO 37 1HB PRO 37 -5.168 -0.662 -7.974
221 1HG PRO 37 2HG PRO 37 -3.469 1.313 -6.604
222 2HG PRO 37 1HG PRO 37 -5.138 1.453 -7.169
223 1HD PRO 37 2HD PRO 37 -4.275 1.016 -4.516
224 2HD PRO 37 1HD PRO 37 -5.941 0.936 -5.127
225 H CYS 38 HN CCU 38 -3.327 -2.578 -4.110
226 HA CYS 38 HA CCU 38 -0.564 -1.794 -4.294
227 1HB CYS 38 2HB CCU 38 -2.249 -2.558 -2.375
228 2HB CYS 38 1HB CCU 38 -1.533 -4.125 -2.703
229 H GLY 39 H GLY 39 0.798 -4.094 -3.651
230 1HA GLY 39 2HA GLY 39 1.319 -5.253 -6.235
231 2HA GLY 39 1HA GLY 39 2.015 -5.805 -4.712
232 H ASN 40 HN ASN 40 0.299 -6.960 -3.252
233 HA ASN 40 HA ASN 40 -1.431 -8.699 -4.982
234 1HB ASN 40 2HB ASN 40 0.828 -9.273 -3.217
235 2HB ASN 40 1HB ASN 40 -0.602 -10.213 -2.788
236 1HD2 ASN 40 2HD2 ASN 40 1.521 -11.507 -5.845
237 2HD2 ASN 40 1HD2 ASN 40 2.104 -10.573 -4.552
Start of MODEL 10
1 1H GLN 1 1H GLN 1 6.209 -2.793 -10.857
2 2H GLN 1 3H GLN 1 6.656 -3.357 -12.392
3 3H GLN 1 2H GLN 1 6.678 -4.414 -11.062
4 HA GLN 1 HA GLN 1 8.632 -3.594 -10.238
5 1HB GLN 1 2HB GLN 1 8.642 -2.959 -13.208
6 2HB GLN 1 1HB GLN 1 10.079 -3.240 -12.224
7 1HG GLN 1 2HG GLN 1 8.164 -5.382 -11.854
8 2HG GLN 1 1HG GLN 1 8.551 -5.185 -13.564
9 1HE2 GLN 1 2HE2 GLN 1 11.814 -5.791 -11.132
10 2HE2 GLN 1 1HE2 GLN 1 10.612 -4.694 -10.647
11 H ASN 2 H ASN 2 7.330 -1.635 -9.196
12 HA ASN 2 HA ASN 2 8.628 0.877 -10.187
13 1HB ASN 2 2HB ASN 2 6.422 1.986 -9.565
14 2HB ASN 2 1HB ASN 2 6.343 0.909 -10.960
15 1HD2 ASN 2 2HD2 ASN 2 3.640 -0.711 -9.364
16 2HD2 ASN 2 1HD2 ASN 2 4.180 0.150 -10.723
17 H GLU 3 H GLU 3 9.282 2.284 -8.513
18 HA GLU 3 HA GLU 3 9.454 1.091 -5.823
19 1HB GLU 3 2HB GLU 3 10.700 3.257 -7.421
20 2HB GLU 3 1HB GLU 3 10.619 3.552 -5.685
21 1HG GLU 3 2HG GLU 3 11.427 0.895 -5.860
22 2HG GLU 3 1HG GLU 3 12.310 1.689 -7.165
23 H GLY 4 H GLY 4 7.692 1.374 -4.502
24 1HA GLY 4 2HA GLY 4 5.888 3.655 -4.839
25 2HA GLY 4 1HA GLY 4 5.731 2.379 -3.632
26 H HIS 5 H HIS 5 5.997 3.108 -1.581
27 HA HIS 5 HA HIS 5 8.239 4.902 -0.927
28 1HB HIS 5 2HB HIS 5 6.331 6.384 0.247
29 2HB HIS 5 1HB HIS 5 6.853 6.685 -1.407
30 HD1 HIS 5 HD1 HIS 5 4.469 3.983 -0.109
31 HD2 HIS 5 HD2 HIS 5 4.498 7.218 -2.726
32 HE1 HIS 5 HE1 HIS 5 2.204 4.016 -1.236
33 H GLU 6 H GLU 6 5.413 4.964 1.089
34 HA GLU 6 HA GLU 6 6.569 2.780 2.785
35 1HB GLU 6 2HB GLU 6 6.084 4.254 4.736
36 2HB GLU 6 1HB GLU 6 7.245 4.987 3.628
37 1HG GLU 6 2HG GLU 6 4.790 5.815 2.624
38 2HG GLU 6 1HG GLU 6 4.566 5.892 4.371
39 H CYS 7 HN CNP 7 4.905 1.256 2.432
40 HA CYS 7 HA CNP 7 2.138 2.027 2.348
41 1HB CYS 7 2HB CNP 7 2.503 0.188 1.054
42 2HB CYS 7 1HB CNP 7 3.805 -0.413 1.992
43 H GLN 8 H GLN 8 1.936 3.058 4.406
44 HA GLN 8 HA GLN 8 2.282 1.372 6.812
45 1HB GLN 8 2HB GLN 8 0.992 4.109 6.474
46 2HB GLN 8 1HB GLN 8 1.622 3.413 7.967
47 1HG GLN 8 2HG GLN 8 3.181 4.368 5.557
48 2HG GLN 8 1HG GLN 8 3.300 4.935 7.222
49 1HE2 GLN 8 2HE2 GLN 8 4.744 1.486 8.010
50 2HE2 GLN 8 1HE2 GLN 8 3.229 2.166 8.359
51 H CYS 9 HN CCU 9 0.467 0.966 4.322
52 HA CYS 9 HA CCU 9 -2.230 1.371 4.765
53 1HB CYS 9 2HB CCU 9 -0.652 -0.941 3.640
54 2HB CYS 9 1HB CCU 9 -2.372 -0.723 3.443
55 H GLN 10 H GLN 10 -3.655 0.692 6.122
56 HA GLN 10 HA GLN 10 -3.008 -1.523 8.028
57 1HB GLN 10 2HB GLN 10 -4.384 1.115 8.164
58 2HB GLN 10 1HB GLN 10 -5.132 -0.186 9.092
59 1HG GLN 10 2HG GLN 10 -2.804 -0.655 10.040
60 2HG GLN 10 1HG GLN 10 -2.317 0.888 9.337
61 1HE2 GLN 10 2HE2 GLN 10 -3.331 2.194 12.501
62 2HE2 GLN 10 1HE2 GLN 10 -1.993 1.736 11.564
63 H CYS 11 HN CNP 11 -4.296 -1.226 5.157
64 HA CYS 11 HA CNP 11 -7.016 -1.868 5.178
65 1HB CYS 11 2HB CNP 11 -4.797 -2.923 3.404
66 2HB CYS 11 1HB CNP 11 -6.475 -2.727 2.979
67 H GLY 12 H GLY 12 -7.000 -4.413 3.822
68 1HA GLY 12 2HA GLY 12 -6.586 -6.230 6.155
69 2HA GLY 12 1HA GLY 12 -7.786 -6.494 4.886
70 H SER 13 H SER 13 -5.697 -5.525 2.893
71 HA SER 13 HA SER 13 -4.302 -8.145 2.633
72 1HB SER 13 2HB SER 13 -4.529 -7.837 0.335
73 2HB SER 13 1HB SER 13 -5.938 -6.950 0.909
74 HG SER 13 HG SER 13 -4.686 -5.720 -0.559
75 H CYS 14 HN CCU 14 -3.704 -5.120 3.771
76 HA CYS 14 HA CCU 14 -0.940 -4.954 2.757
77 1HB CYS 14 2HB CCU 14 -3.016 -3.161 3.880
78 2HB CYS 14 1HB CCU 14 -1.352 -2.749 4.190
79 H LYS 15 H LYS 15 -2.885 -5.253 5.553
80 HA LYS 15 HA LYS 15 -0.846 -5.052 7.579
81 1HB LYS 15 2HB LYS 15 -2.601 -5.901 9.021
82 2HB LYS 15 1HB LYS 15 -3.356 -4.842 7.828
83 1HG LYS 15 2HG LYS 15 -4.757 -6.634 7.561
84 2HG LYS 15 1HG LYS 15 -3.473 -7.186 6.486
85 1HD LYS 15 2HD LYS 15 -3.239 -9.003 7.793
86 2HD LYS 15 1HD LYS 15 -2.676 -7.942 9.084
87 1HE LYS 15 2HE LYS 15 -4.506 -8.749 10.208
88 2HE LYS 15 1HE LYS 15 -5.399 -7.572 9.224
89 1HZ LYS 15 1HZ LYS 15 -4.711 -10.143 8.007
90 2HZ LYS 15 3HZ LYS 15 -5.976 -10.127 9.137
91 3HZ LYS 15 2HZ LYS 15 -6.067 -9.152 7.749
92 H ASN 16 H ASN 16 -1.446 -7.454 5.245
93 HA ASN 16 HA ASN 16 0.002 -9.501 6.895
94 1HB ASN 16 2HB ASN 16 -2.496 -9.693 5.924
95 2HB ASN 16 1HB ASN 16 -1.615 -10.238 4.496
96 1HD2 ASN 16 2HD2 ASN 16 -1.815 -12.632 7.782
97 2HD2 ASN 16 1HD2 ASN 16 -2.495 -11.078 7.795
98 H ASN 17 H ASN 17 -0.197 -7.828 3.795
99 HA ASN 17 HA ASN 17 2.062 -9.415 2.695
100 1HB ASN 17 2HB ASN 17 -0.034 -7.535 1.715
101 2HB ASN 17 1HB ASN 17 1.477 -7.581 0.809
102 1HD2 ASN 17 2HD2 ASN 17 1.033 -11.054 -0.145
103 2HD2 ASN 17 1HD2 ASN 17 2.247 -9.962 0.316
104 H GLU 18 H GLU 18 3.795 -8.633 4.053
105 HA GLU 18 HA GLU 18 4.316 -5.732 4.164
106 1HB GLU 18 2HB GLU 18 5.932 -8.097 5.165
107 2HB GLU 18 1HB GLU 18 6.084 -6.420 5.691
108 1HG GLU 18 2HG GLU 18 3.986 -6.449 6.783
109 2HG GLU 18 1HG GLU 18 3.470 -7.906 5.934
110 H GLN 19 H GLN 19 4.673 -7.853 1.760
111 HA GLN 19 HA GLN 19 7.462 -7.556 1.040
112 1HB GLN 19 2HB GLN 19 5.035 -8.822 0.084
113 2HB GLN 19 1HB GLN 19 5.912 -8.075 -1.252
114 1HG GLN 19 2HG GLN 19 7.909 -9.307 -0.740
115 2HG GLN 19 1HG GLN 19 7.236 -9.878 0.787
116 1HE2 GLN 19 2HE2 GLN 19 6.807 -12.390 -2.102
117 2HE2 GLN 19 1HE2 GLN 19 8.143 -11.423 -1.699
118 H CYS 20 HN CCU 20 4.924 -5.418 1.090
119 HA CYS 20 HA CCU 20 6.294 -3.575 -0.798
120 1HB CYS 20 2HB CCU 20 4.041 -3.020 -1.643
121 2HB CYS 20 1HB CCU 20 4.405 -4.719 -1.902
122 H GLN 21 H GLN 21 5.892 -3.935 2.274
123 HA GLN 21 HA GLN 21 4.214 -1.724 3.097
124 1HB GLN 21 2HB GLN 21 4.687 -3.830 4.348
125 2HB GLN 21 1HB GLN 21 6.359 -3.304 4.539
126 1HG GLN 21 2HG GLN 21 5.662 -2.307 6.430
127 2HG GLN 21 1HG GLN 21 4.929 -1.103 5.371
128 1HE2 GLN 21 2HE2 GLN 21 2.356 -4.112 6.463
129 2HE2 GLN 21 1HE2 GLN 21 3.901 -4.506 5.884
130 H LYS 22 H LYS 22 6.998 -1.574 1.436
131 HA LYS 22 HA LYS 22 7.789 0.993 2.719
132 1HB LYS 22 2HB LYS 22 10.190 0.214 2.519
133 2HB LYS 22 1HB LYS 22 9.235 -0.681 3.703
134 1HG LYS 22 2HG LYS 22 9.081 -2.576 2.348
135 2HG LYS 22 1HG LYS 22 9.378 -1.663 0.868
136 1HD LYS 22 2HD LYS 22 11.649 -1.745 1.113
137 2HD LYS 22 1HD LYS 22 11.565 -1.609 2.869
138 1HE LYS 22 2HE LYS 22 10.695 -4.128 1.428
139 2HE LYS 22 1HE LYS 22 12.367 -3.876 1.969
140 1HZ LYS 22 3HZ LYS 22 11.301 -3.198 4.171
141 2HZ LYS 22 2HZ LYS 22 9.900 -3.969 3.597
142 3HZ LYS 22 1HZ LYS 22 11.338 -4.852 3.801
143 H SER 23 H SER 23 6.694 -0.368 0.028
144 HA SER 23 HA SER 23 7.907 1.660 -1.721
145 1HB SER 23 2HB SER 23 8.362 -1.318 -2.096
146 2HB SER 23 1HB SER 23 8.753 -0.097 -3.304
147 HG SER 23 HG SER 23 10.480 0.371 -2.209
148 H CYS 24 HN CNP 24 5.193 0.817 -0.758
149 HA CYS 24 HA CNP 24 3.841 -0.453 -2.987
150 1HB CYS 24 2HB CNP 24 2.195 -0.549 -1.375
151 2HB CYS 24 1HB CNP 24 3.531 -0.201 -0.341
152 H SER 25 H SER 25 2.431 0.622 -4.484
153 HA SER 25 HA SER 25 3.049 3.513 -4.873
154 1HB SER 25 2HB SER 25 3.284 1.620 -6.621
155 2HB SER 25 1HB SER 25 1.525 1.652 -6.707
156 HG SER 25 HG SER 25 1.599 3.549 -7.662
157 H CYS 26 HN CCU 26 1.391 3.330 -2.754
158 HA CYS 26 HA CCU 26 -1.434 3.356 -3.567
159 1HB CYS 26 2HB CCU 26 0.201 3.518 -1.083
160 2HB CYS 26 1HB CCU 26 -1.413 4.227 -1.022
161 HA PRO 27 HA PRO 27 -1.184 7.755 -4.315
162 1HB PRO 27 2HB PRO 27 -3.695 7.991 -5.363
163 2HB PRO 27 1HB PRO 27 -2.329 7.346 -6.292
164 1HG PRO 27 2HG PRO 27 -4.606 5.928 -5.058
165 2HG PRO 27 1HG PRO 27 -3.649 5.510 -6.485
166 1HD PRO 27 2HD PRO 27 -3.403 4.380 -3.933
167 2HD PRO 27 1HD PRO 27 -2.249 4.216 -5.273
168 H THR 28 H THR 28 -3.242 9.481 -3.879
169 HA THR 28 HA THR 28 -3.770 9.120 -0.987
170 HB THR 28 HB THR 28 -2.873 11.248 -1.979
171 HG1 THR 28 HG1 THR 28 -5.236 11.060 -0.537
172 1HG2 THR 28 2HG2 THR 28 -5.142 10.806 -3.735
173 2HG2 THR 28 1HG2 THR 28 -5.192 12.419 -3.023
174 3HG2 THR 28 3HG2 THR 28 -3.774 11.902 -3.935
175 H GLY 29 H GLY 29 -5.127 7.310 -2.518
176 1HA GLY 29 2HA GLY 29 -7.940 8.143 -2.038
177 2HA GLY 29 1HA GLY 29 -7.521 7.368 -3.573
178 H CYS 30 HN CCU 30 -5.619 6.377 -0.915
179 HA CYS 30 HA CCU 30 -6.926 3.702 -0.965
180 1HB CYS 30 2HB CCU 30 -4.385 4.466 -1.167
181 2HB CYS 30 1HB CCU 30 -4.469 4.404 0.590
182 H ASN 31 H ASN 31 -8.575 5.448 0.300
183 HA ASN 31 HA ASN 31 -8.009 5.456 3.208
184 1HB ASN 31 2HB ASN 31 -9.332 7.092 1.364
185 2HB ASN 31 1HB ASN 31 -10.627 6.381 2.326
186 1HD2 ASN 31 2HD2 ASN 31 -9.945 9.026 4.604
187 2HD2 ASN 31 1HD2 ASN 31 -11.027 8.436 3.439
188 H SER 32 H SER 32 -9.357 3.254 1.051
189 HA SER 32 HA SER 32 -11.021 2.065 3.247
190 1HB SER 32 2HB SER 32 -11.705 2.945 0.526
191 2HB SER 32 1HB SER 32 -12.237 1.304 0.885
192 HG SER 32 HG SER 32 -12.633 3.249 2.842
193 H ASP 33 H ASP 33 -11.423 -0.327 2.812
194 HA ASP 33 HA ASP 33 -8.890 -1.608 2.022
195 1HB ASP 33 2HB ASP 33 -11.516 -2.689 3.099
196 2HB ASP 33 1HB ASP 33 -10.008 -3.597 2.987
197 H ASP 34 H ASP 34 -11.352 -0.496 0.241
198 HA ASP 34 HA ASP 34 -11.183 -2.775 -1.688
199 1HB ASP 34 2HB ASP 34 -13.575 -2.051 -2.299
200 2HB ASP 34 1HB ASP 34 -13.388 -2.832 -0.728
201 H LYS 35 H LYS 35 -9.517 -0.562 -1.560
202 HA LYS 35 HA LYS 35 -9.795 0.480 -4.269
203 1HB LYS 35 2HB LYS 35 -10.196 2.148 -1.778
204 2HB LYS 35 1HB LYS 35 -9.586 2.888 -3.260
205 1HG LYS 35 2HG LYS 35 -11.617 1.758 -4.412
206 2HG LYS 35 1HG LYS 35 -12.258 1.576 -2.778
207 1HD LYS 35 2HD LYS 35 -12.050 4.001 -2.412
208 2HD LYS 35 1HD LYS 35 -11.387 4.195 -4.035
209 1HE LYS 35 2HE LYS 35 -13.689 2.826 -4.593
210 2HE LYS 35 1HE LYS 35 -14.194 3.797 -3.196
211 1HZ LYS 35 2HZ LYS 35 -13.089 5.723 -4.285
212 2HZ LYS 35 1HZ LYS 35 -12.885 4.771 -5.677
213 3HZ LYS 35 3HZ LYS 35 -14.446 5.146 -5.129
214 H CYS 36 HN CCU 36 -8.071 -1.174 -2.783
215 HA CYS 36 HA CCU 36 -5.589 0.460 -2.435
216 1HB CYS 36 2HB CCU 36 -6.469 -0.907 -0.567
217 2HB CYS 36 1HB CCU 36 -6.350 -2.345 -1.574
218 HA PRO 37 HA PRO 37 -4.647 -1.865 -6.263
219 1HB PRO 37 2HB PRO 37 -3.478 0.221 -7.584
220 2HB PRO 37 1HB PRO 37 -5.232 -0.046 -7.586
221 1HG PRO 37 2HG PRO 37 -3.634 1.954 -6.121
222 2HG PRO 37 1HG PRO 37 -5.305 2.037 -6.691
223 1HD PRO 37 2HD PRO 37 -4.465 1.534 -4.058
224 2HD PRO 37 1HD PRO 37 -6.105 1.320 -4.707
225 H CYS 38 HN CCU 38 -3.173 -2.046 -3.870
226 HA CYS 38 HA CCU 38 -0.515 -1.010 -3.952
227 1HB CYS 38 2HB CCU 38 -2.096 -2.205 -2.174
228 2HB CYS 38 1HB CCU 38 -1.226 -3.630 -2.711
229 H GLY 39 H GLY 39 1.099 -3.207 -3.633
230 1HA GLY 39 2HA GLY 39 1.890 -3.864 -6.267
231 2HA GLY 39 1HA GLY 39 2.381 -4.770 -4.835
232 H ASN 40 HN ASN 40 0.733 -6.368 -4.002
233 HA ASN 40 HA ASN 40 -0.001 -8.289 -5.900
234 1HB ASN 40 2HB ASN 40 -0.705 -7.562 -3.114
235 2HB ASN 40 1HB ASN 40 -1.855 -8.627 -3.923
236 1HD2 ASN 40 2HD2 ASN 40 0.203 -11.402 -3.303
237 2HD2 ASN 40 1HD2 ASN 40 -1.363 -10.751 -3.382
No H/Q in entry = 237