Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1594 | 1aqq 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 -3.817 10.590 -4.190
2 2H GLN 1 1H GLN 1 -3.511 11.418 -5.643
3 3H GLN 1 3H GLN 1 -4.589 10.108 -5.626
4 HA GLN 1 HA GLN 1 -2.849 8.547 -5.245
5 1HB GLN 1 2HB GLN 1 -2.553 10.673 -7.346
6 2HB GLN 1 1HB GLN 1 -1.350 9.385 -7.262
7 1HG GLN 1 2HG GLN 1 -2.825 7.776 -7.952
8 2HG GLN 1 1HG GLN 1 -4.187 8.521 -7.114
9 1HE2 GLN 1 2HE2 GLN 1 -4.430 8.974 -10.899
10 2HE2 GLN 1 1HE2 GLN 1 -4.090 7.601 -9.960
11 H ASN 2 H ASN 2 -2.337 10.236 -3.067
12 HA ASN 2 HA ASN 2 0.407 11.300 -3.321
13 1HB ASN 2 2HB ASN 2 -1.847 11.312 -1.356
14 2HB ASN 2 1HB ASN 2 -0.221 11.582 -0.727
15 1HD2 ASN 2 2HD2 ASN 2 -0.846 14.992 -1.554
16 2HD2 ASN 2 1HD2 ASN 2 -0.740 13.869 -0.285
17 H GLU 3 H GLU 3 1.977 9.700 -3.330
18 HA GLU 3 HA GLU 3 1.783 7.579 -1.203
19 1HB GLU 3 2HB GLU 3 2.885 6.101 -2.826
20 2HB GLU 3 1HB GLU 3 1.483 6.830 -3.605
21 1HG GLU 3 2HG GLU 3 3.858 8.493 -3.887
22 2HG GLU 3 1HG GLU 3 4.097 6.883 -4.568
23 H GLY 4 H GLY 4 2.981 10.161 -0.973
24 1HA GLY 4 2HA GLY 4 5.907 9.673 -1.071
25 2HA GLY 4 1HA GLY 4 5.129 11.190 -0.585
26 H HIS 5 H HIS 5 4.684 7.826 0.449
27 HA HIS 5 HA HIS 5 5.289 8.661 3.258
28 1HB HIS 5 2HB HIS 5 3.213 7.504 3.888
29 2HB HIS 5 1HB HIS 5 2.867 8.737 2.684
30 HD1 HIS 5 HD1 HIS 5 4.383 5.953 0.894
31 HD2 HIS 5 HD2 HIS 5 0.568 6.775 2.261
32 HE1 HIS 5 HE1 HIS 5 2.838 4.268 -0.175
33 H GLU 6 H GLU 6 5.079 6.465 4.633
34 HA GLU 6 HA GLU 6 6.859 4.486 3.303
35 1HB GLU 6 2HB GLU 6 6.908 3.519 5.621
36 2HB GLU 6 1HB GLU 6 7.465 5.191 5.561
37 1HG GLU 6 2HG GLU 6 4.621 5.191 5.908
38 2HG GLU 6 1HG GLU 6 5.331 4.115 7.110
39 H CYS 7 HN CNP 7 5.846 2.701 2.416
40 HA CYS 7 HA CNP 7 3.085 2.436 2.138
41 1HB CYS 7 2HB CNP 7 4.811 1.125 0.944
42 2HB CYS 7 1HB CNP 7 5.114 0.190 2.403
43 H GLN 8 H GLN 8 1.602 2.468 3.771
44 HA GLN 8 HA GLN 8 2.297 0.989 6.296
45 1HB GLN 8 2HB GLN 8 0.624 3.436 5.685
46 2HB GLN 8 1HB GLN 8 0.594 2.636 7.257
47 1HG GLN 8 2HG GLN 8 3.323 3.043 6.369
48 2HG GLN 8 1HG GLN 8 2.441 4.570 6.393
49 1HE2 GLN 8 2HE2 GLN 8 3.571 4.384 9.835
50 2HE2 GLN 8 1HE2 GLN 8 4.101 4.878 8.299
51 H CYS 9 HN CAG 9 1.061 -0.266 3.941
52 HA CYS 9 HA CAG 9 -1.796 -0.526 4.399
53 1HB CYS 9 2HB CAG 9 0.395 -1.846 2.852
54 2HB CYS 9 1HB CAG 9 -1.196 -2.613 2.895
55 H GLN 10 H GLN 10 -2.845 -2.170 5.609
56 HA GLN 10 HA GLN 10 -1.166 -3.574 7.601
57 1HB GLN 10 2HB GLN 10 -3.858 -2.548 7.333
58 2HB GLN 10 1HB GLN 10 -3.912 -4.238 7.838
59 1HG GLN 10 2HG GLN 10 -2.323 -3.731 9.671
60 2HG GLN 10 1HG GLN 10 -2.313 -2.036 9.181
61 1HE2 GLN 10 2HE2 GLN 10 -4.909 -1.714 11.609
62 2HE2 GLN 10 1HE2 GLN 10 -3.261 -1.441 11.300
63 H CYS 11 HN CNP 11 -1.409 -4.302 4.605
64 HA CYS 11 HA CNP 11 -2.644 -6.949 4.643
65 1HB CYS 11 2HB CNP 11 -0.968 -5.749 2.457
66 2HB CYS 11 1HB CNP 11 -2.400 -6.728 2.341
67 H GLY 12 H GLY 12 -0.985 -8.345 3.026
68 1HA GLY 12 2HA GLY 12 1.525 -8.645 4.615
69 2HA GLY 12 1HA GLY 12 0.724 -9.975 3.767
70 H SER 13 H SER 13 0.125 -7.868 1.582
71 HA SER 13 HA SER 13 2.389 -8.512 -0.122
72 1HB SER 13 2HB SER 13 0.169 -8.348 -1.043
73 2HB SER 13 1HB SER 13 -0.068 -6.750 -0.339
74 HG SER 13 HG SER 13 0.540 -6.884 -2.650
75 H CYS 14 HN CAG 14 1.358 -5.694 1.782
76 HA CYS 14 HA CAG 14 3.468 -3.991 0.668
77 1HB CYS 14 2HB CAG 14 1.241 -3.790 2.717
78 2HB CYS 14 1HB CAG 14 2.404 -2.528 2.491
79 H LYS 15 H LYS 15 2.555 -5.531 3.727
80 HA LYS 15 HA LYS 15 4.604 -4.696 5.428
81 1HB LYS 15 2HB LYS 15 3.760 -6.382 6.773
82 2HB LYS 15 1HB LYS 15 2.484 -6.340 5.563
83 1HG LYS 15 2HG LYS 15 3.414 -8.229 4.396
84 2HG LYS 15 1HG LYS 15 4.884 -8.183 5.368
85 1HD LYS 15 2HD LYS 15 2.347 -8.410 6.886
86 2HD LYS 15 1HD LYS 15 2.800 -9.818 5.926
87 1HE LYS 15 2HE LYS 15 4.465 -10.365 7.368
88 2HE LYS 15 1HE LYS 15 5.087 -8.703 7.376
89 1HZ LYS 15 1HZ LYS 15 3.251 -8.072 8.832
90 2HZ LYS 15 3HZ LYS 15 2.700 -9.675 8.859
91 3HZ LYS 15 2HZ LYS 15 4.202 -9.284 9.548
92 H ASN 16 H ASN 16 4.720 -7.370 3.045
93 HA ASN 16 HA ASN 16 7.651 -7.638 3.612
94 1HB ASN 16 2HB ASN 16 5.785 -9.510 3.814
95 2HB ASN 16 1HB ASN 16 6.027 -9.630 2.072
96 1HD2 ASN 16 2HD2 ASN 16 8.967 -10.903 4.612
97 2HD2 ASN 16 1HD2 ASN 16 7.637 -10.039 5.215
98 H ASN 17 H ASN 17 5.521 -8.249 0.780
99 HA ASN 17 HA ASN 17 7.446 -8.007 -1.233
100 1HB ASN 17 2HB ASN 17 4.723 -8.312 -1.049
101 2HB ASN 17 1HB ASN 17 4.852 -6.725 -1.809
102 1HD2 ASN 17 2HD2 ASN 17 5.754 -8.061 -4.929
103 2HD2 ASN 17 1HD2 ASN 17 5.203 -6.726 -4.037
104 H GLU 18 H GLU 18 8.960 -6.375 -1.115
105 HA GLU 18 HA GLU 18 8.203 -3.618 -0.491
106 1HB GLU 18 2HB GLU 18 10.653 -3.267 -0.913
107 2HB GLU 18 1HB GLU 18 10.336 -4.568 0.236
108 1HG GLU 18 2HG GLU 18 10.273 -5.764 -2.321
109 2HG GLU 18 1HG GLU 18 11.678 -4.697 -2.321
110 H GLN 19 H GLN 19 7.597 -5.378 -3.133
111 HA GLN 19 HA GLN 19 8.622 -3.614 -5.220
112 1HB GLN 19 2HB GLN 19 7.277 -6.166 -4.935
113 2HB GLN 19 1HB GLN 19 6.547 -5.211 -6.226
114 1HG GLN 19 2HG GLN 19 9.486 -5.133 -6.218
115 2HG GLN 19 1HG GLN 19 8.819 -6.742 -6.500
116 1HE2 GLN 19 2HE2 GLN 19 7.169 -5.758 -9.565
117 2HE2 GLN 19 1HE2 GLN 19 6.973 -6.776 -8.221
118 H CYS 20 HN CAG 20 5.933 -3.670 -3.186
119 HA CYS 20 HA CAG 20 4.513 -1.632 -4.842
120 1HB CYS 20 2HB CAG 20 2.501 -2.586 -3.897
121 2HB CYS 20 1HB CAG 20 3.504 -3.910 -4.481
122 H GLN 21 H GLN 21 6.304 -2.114 -2.024
123 HA GLN 21 HA GLN 21 4.897 -0.117 -0.349
124 1HB GLN 21 2HB GLN 21 6.347 -0.901 1.312
125 2HB GLN 21 1HB GLN 21 6.164 -2.320 0.285
126 1HG GLN 21 2HG GLN 21 8.269 -1.806 -0.854
127 2HG GLN 21 1HG GLN 21 8.440 -0.327 0.089
128 1HE2 GLN 21 2HE2 GLN 21 8.521 -3.574 2.554
129 2HE2 GLN 21 1HE2 GLN 21 7.163 -3.261 1.584
130 H LYS 22 H LYS 22 6.413 0.340 -3.037
131 HA LYS 22 HA LYS 22 8.592 2.132 -2.298
132 1HB LYS 22 2HB LYS 22 7.291 1.310 -4.880
133 2HB LYS 22 1HB LYS 22 8.699 2.370 -4.797
134 1HG LYS 22 2HG LYS 22 10.094 0.677 -3.991
135 2HG LYS 22 1HG LYS 22 8.744 -0.277 -3.375
136 1HD LYS 22 2HD LYS 22 9.728 -1.279 -5.425
137 2HD LYS 22 1HD LYS 22 8.043 -0.813 -5.661
138 1HE LYS 22 2HE LYS 22 8.885 1.380 -6.632
139 2HE LYS 22 1HE LYS 22 10.513 0.673 -6.612
140 1HZ LYS 22 3HZ LYS 22 9.138 -1.333 -7.658
141 2HZ LYS 22 2HZ LYS 22 8.202 -0.041 -8.238
142 3HZ LYS 22 1HZ LYS 22 9.858 -0.128 -8.609
143 H SER 23 H SER 23 5.928 2.645 -4.453
144 HA SER 23 HA SER 23 5.519 5.354 -3.235
145 1HB SER 23 2HB SER 23 5.409 4.887 -6.203
146 2HB SER 23 1HB SER 23 5.736 6.384 -5.333
147 HG SER 23 HG SER 23 7.613 5.348 -6.270
148 H CYS 24 HN CNP 24 3.777 3.319 -2.600
149 HA CYS 24 HA CNP 24 1.456 3.332 -4.368
150 1HB CYS 24 2HB CNP 24 0.881 1.583 -2.986
151 2HB CYS 24 1HB CNP 24 2.598 1.605 -2.708
152 H SER 25 H SER 25 -0.180 4.842 -4.232
153 HA SER 25 HA SER 25 0.110 7.045 -2.319
154 1HB SER 25 2HB SER 25 -2.110 6.413 -4.295
155 2HB SER 25 1HB SER 25 -1.747 7.987 -3.593
156 HG SER 25 HG SER 25 -0.840 7.170 -5.809
157 H CYS 26 HN CAG 26 -0.776 4.146 -1.489
158 HA CYS 26 HA CAG 26 -3.402 4.140 -0.528
159 1HB CYS 26 2HB CAG 26 -0.705 3.104 0.277
160 2HB CYS 26 1HB CAG 26 -2.069 2.865 1.367
161 HA PRO 27 HA PRO 27 -2.910 7.746 2.146
162 1HB PRO 27 2HB PRO 27 -5.528 7.812 2.968
163 2HB PRO 27 1HB PRO 27 -4.990 8.499 1.421
164 1HG PRO 27 2HG PRO 27 -6.265 5.857 1.974
165 2HG PRO 27 1HG PRO 27 -6.568 7.000 0.654
166 1HD PRO 27 2HD PRO 27 -5.064 4.788 0.311
167 2HD PRO 27 1HD PRO 27 -4.723 6.306 -0.554
168 H THR 28 H THR 28 -1.641 6.754 3.650
169 HA THR 28 HA THR 28 -1.655 4.614 5.159
170 HB THR 28 HB THR 28 -0.783 6.063 7.070
171 HG1 THR 28 HG1 THR 28 -2.301 7.817 6.279
172 1HG2 THR 28 3HG2 THR 28 0.149 6.628 4.243
173 2HG2 THR 28 2HG2 THR 28 1.107 6.887 5.702
174 3HG2 THR 28 1HG2 THR 28 0.633 5.253 5.235
175 H GLY 29 H GLY 29 -3.756 4.170 4.942
176 1HA GLY 29 2HA GLY 29 -5.200 4.022 7.430
177 2HA GLY 29 1HA GLY 29 -6.079 4.898 6.168
178 H CYS 30 HN CAG 30 -4.447 3.058 4.137
179 HA CYS 30 HA CAG 30 -6.530 1.279 3.516
180 1HB CYS 30 2HB CAG 30 -4.391 1.998 2.275
181 2HB CYS 30 1HB CAG 30 -3.598 0.680 3.133
182 H ASN 31 H ASN 31 -7.385 -0.217 4.859
183 HA ASN 31 HA ASN 31 -5.534 -2.103 6.260
184 1HB ASN 31 2HB ASN 31 -7.030 -1.902 8.249
185 2HB ASN 31 1HB ASN 31 -6.264 -0.367 7.840
186 1HD2 ASN 31 2HD2 ASN 31 -9.476 1.092 7.878
187 2HD2 ASN 31 1HD2 ASN 31 -7.902 1.092 8.513
188 H SER 32 H SER 32 -7.200 -2.301 3.790
189 HA SER 32 HA SER 32 -8.899 -4.611 4.649
190 1HB SER 32 2HB SER 32 -10.383 -2.745 4.305
191 2HB SER 32 1HB SER 32 -9.556 -2.286 2.819
192 HG SER 32 HG SER 32 -11.634 -3.674 2.850
193 H ASP 33 H ASP 33 -9.146 -6.231 2.961
194 HA ASP 33 HA ASP 33 -6.799 -6.436 1.212
195 1HB ASP 33 2HB ASP 33 -9.213 -8.164 1.821
196 2HB ASP 33 1HB ASP 33 -7.941 -8.658 0.703
197 H ASP 34 H ASP 34 -10.323 -6.045 0.796
198 HA ASP 34 HA ASP 34 -9.983 -5.872 -2.124
199 1HB ASP 34 2HB ASP 34 -12.507 -5.582 -0.473
200 2HB ASP 34 1HB ASP 34 -12.395 -6.024 -2.179
201 H LYS 35 H LYS 35 -8.919 -3.930 -0.319
202 HA LYS 35 HA LYS 35 -10.049 -1.524 -1.607
203 1HB LYS 35 2HB LYS 35 -10.717 -2.076 0.940
204 2HB LYS 35 1HB LYS 35 -9.135 -1.359 1.243
205 1HG LYS 35 2HG LYS 35 -9.784 0.732 0.497
206 2HG LYS 35 1HG LYS 35 -10.990 0.076 -0.610
207 1HD LYS 35 2HD LYS 35 -12.146 -0.720 1.638
208 2HD LYS 35 1HD LYS 35 -11.206 0.603 2.331
209 1HE LYS 35 2HE LYS 35 -12.332 1.640 -0.046
210 2HE LYS 35 1HE LYS 35 -13.636 0.759 0.775
211 1HZ LYS 35 1HZ LYS 35 -12.472 1.886 2.857
212 2HZ LYS 35 3HZ LYS 35 -12.088 3.057 1.693
213 3HZ LYS 35 2HZ LYS 35 -13.713 2.657 1.989
214 H CYS 36 HN CAG 36 -7.870 -3.335 -1.996
215 HA CYS 36 HA CAG 36 -5.569 -1.438 -1.761
216 1HB CYS 36 2HB CAG 36 -5.770 -3.491 -0.176
217 2HB CYS 36 1HB CAG 36 -5.312 -4.395 -1.602
218 HA PRO 37 HA PRO 37 -5.875 -3.271 -5.890
219 1HB PRO 37 2HB PRO 37 -6.714 -1.021 -7.256
220 2HB PRO 37 1HB PRO 37 -7.827 -2.220 -6.570
221 1HG PRO 37 2HG PRO 37 -7.301 0.496 -5.685
222 2HG PRO 37 1HG PRO 37 -8.599 -0.607 -5.217
223 1HD PRO 37 2HD PRO 37 -6.181 0.053 -3.786
224 2HD PRO 37 1HD PRO 37 -7.577 -0.910 -3.251
225 H CYS 38 HN CAG 38 -3.817 -2.258 -4.245
226 HA CYS 38 HA CAG 38 -2.231 -0.303 -5.769
227 1HB CYS 38 2HB CAG 38 -2.107 -0.139 -3.494
228 2HB CYS 38 1HB CAG 38 -2.084 -1.869 -3.222
229 H GLY 39 H GLY 39 -0.605 -0.667 -6.936
230 1HA GLY 39 2HA GLY 39 0.561 -3.386 -7.241
231 2HA GLY 39 1HA GLY 39 -0.011 -2.547 -8.690
232 H ASN 40 HN ASN 40 1.058 -0.316 -6.404
233 HA ASN 40 HA ASN 40 3.899 -0.385 -7.289
234 1HB ASN 40 2HB ASN 40 3.563 2.061 -8.030
235 2HB ASN 40 1HB ASN 40 2.892 0.816 -9.085
236 1HD2 ASN 40 2HD2 ASN 40 0.281 3.038 -6.799
237 2HD2 ASN 40 1HD2 ASN 40 1.874 2.822 -6.253
Start of MODEL 2
1 1H GLN 1 1H GLN 1 0.363 11.568 1.894
2 2H GLN 1 3H GLN 1 -0.512 12.924 2.416
3 3H GLN 1 2H GLN 1 -0.897 11.383 3.018
4 HA GLN 1 HA GLN 1 -2.345 11.060 1.374
5 1HB GLN 1 2HB GLN 1 -2.468 13.556 1.656
6 2HB GLN 1 1HB GLN 1 -1.311 13.718 0.336
7 1HG GLN 1 2HG GLN 1 -3.087 13.705 -1.057
8 2HG GLN 1 1HG GLN 1 -3.240 11.988 -0.685
9 1HE2 GLN 1 2HE2 GLN 1 -6.457 13.802 0.154
10 2HE2 GLN 1 1HE2 GLN 1 -5.506 13.740 -1.251
11 H ASN 2 H ASN 2 0.623 12.482 -0.051
12 HA ASN 2 HA ASN 2 0.388 11.205 -2.604
13 1HB ASN 2 2HB ASN 2 2.792 11.827 -2.756
14 2HB ASN 2 1HB ASN 2 1.822 13.143 -2.094
15 1HD2 ASN 2 2HD2 ASN 2 4.341 13.205 0.434
16 2HD2 ASN 2 1HD2 ASN 2 3.780 13.969 -0.976
17 H GLU 3 H GLU 3 2.450 9.675 -3.217
18 HA GLU 3 HA GLU 3 2.226 7.335 -1.363
19 1HB GLU 3 2HB GLU 3 2.883 6.075 -3.435
20 2HB GLU 3 1HB GLU 3 1.451 7.067 -3.702
21 1HG GLU 3 2HG GLU 3 2.492 8.313 -5.260
22 2HG GLU 3 1HG GLU 3 3.881 8.578 -4.206
23 H GLY 4 H GLY 4 3.985 9.548 -0.925
24 1HA GLY 4 2HA GLY 4 6.683 8.311 -1.320
25 2HA GLY 4 1HA GLY 4 6.409 10.017 -0.920
26 H HIS 5 H HIS 5 5.058 7.025 0.345
27 HA HIS 5 HA HIS 5 5.903 7.853 3.111
28 1HB HIS 5 2HB HIS 5 3.655 7.045 3.768
29 2HB HIS 5 1HB HIS 5 3.536 8.303 2.540
30 HD1 HIS 5 HD1 HIS 5 4.666 5.325 0.832
31 HD2 HIS 5 HD2 HIS 5 0.958 6.683 2.096
32 HE1 HIS 5 HE1 HIS 5 2.941 3.931 -0.335
33 H GLU 6 H GLU 6 5.023 5.742 4.521
34 HA GLU 6 HA GLU 6 6.694 3.480 3.569
35 1HB GLU 6 2HB GLU 6 6.181 2.648 5.897
36 2HB GLU 6 1HB GLU 6 6.982 4.219 5.874
37 1HG GLU 6 2HG GLU 6 4.140 4.614 5.692
38 2HG GLU 6 1HG GLU 6 4.489 3.565 7.065
39 H CYS 7 HN CNP 7 5.669 1.674 2.694
40 HA CYS 7 HA CNP 7 3.016 1.658 1.824
41 1HB CYS 7 2HB CNP 7 4.724 0.042 1.137
42 2HB CYS 7 1HB CNP 7 4.741 -0.667 2.749
43 H GLN 8 H GLN 8 1.325 2.176 3.200
44 HA GLN 8 HA GLN 8 1.298 0.891 5.902
45 1HB GLN 8 2HB GLN 8 0.362 3.410 4.664
46 2HB GLN 8 1HB GLN 8 -0.730 2.719 5.864
47 1HG GLN 8 2HG GLN 8 2.200 3.390 6.259
48 2HG GLN 8 1HG GLN 8 0.823 4.210 6.996
49 1HE2 GLN 8 2HE2 GLN 8 2.238 1.598 9.354
50 2HE2 GLN 8 1HE2 GLN 8 2.962 2.870 8.493
51 H CYS 9 HN CAG 9 0.490 -0.442 3.281
52 HA CYS 9 HA CAG 9 -2.414 -0.673 3.353
53 1HB CYS 9 2HB CAG 9 -0.060 -2.050 2.089
54 2HB CYS 9 1HB CAG 9 -1.713 -2.599 1.775
55 H GLN 10 H GLN 10 -3.588 -2.252 4.494
56 HA GLN 10 HA GLN 10 -2.094 -3.918 6.437
57 1HB GLN 10 2HB GLN 10 -4.751 -2.748 6.096
58 2HB GLN 10 1HB GLN 10 -4.841 -4.438 6.597
59 1HG GLN 10 2HG GLN 10 -2.833 -3.491 8.210
60 2HG GLN 10 1HG GLN 10 -3.892 -2.084 8.096
61 1HE2 GLN 10 2HE2 GLN 10 -5.031 -5.249 10.331
62 2HE2 GLN 10 1HE2 GLN 10 -3.503 -5.169 9.597
63 H CYS 11 HN CNP 11 -2.443 -4.269 3.328
64 HA CYS 11 HA CNP 11 -3.802 -6.788 2.977
65 1HB CYS 11 2HB CNP 11 -1.779 -5.365 1.238
66 2HB CYS 11 1HB CNP 11 -3.090 -6.402 0.738
67 H GLY 12 H GLY 12 -2.018 -8.113 1.353
68 1HA GLY 12 2HA GLY 12 0.180 -8.886 3.225
69 2HA GLY 12 1HA GLY 12 -0.682 -10.055 2.222
70 H SER 13 H SER 13 -0.686 -7.818 0.076
71 HA SER 13 HA SER 13 1.857 -8.664 -1.173
72 1HB SER 13 2HB SER 13 -0.738 -8.173 -2.018
73 2HB SER 13 1HB SER 13 0.131 -6.743 -2.571
74 HG SER 13 HG SER 13 1.218 -9.313 -2.946
75 H CYS 14 HN CAG 14 0.331 -5.722 0.111
76 HA CYS 14 HA CAG 14 2.513 -3.996 -0.787
77 1HB CYS 14 2HB CAG 14 0.164 -3.485 1.067
78 2HB CYS 14 1HB CAG 14 1.030 -2.345 0.086
79 H LYS 15 H LYS 15 0.971 -4.730 2.326
80 HA LYS 15 HA LYS 15 2.557 -3.654 4.226
81 1HB LYS 15 2HB LYS 15 1.785 -5.386 5.621
82 2HB LYS 15 1HB LYS 15 0.646 -5.446 4.279
83 1HG LYS 15 2HG LYS 15 1.757 -7.327 3.298
84 2HG LYS 15 1HG LYS 15 3.143 -7.160 4.375
85 1HD LYS 15 2HD LYS 15 0.523 -7.468 5.719
86 2HD LYS 15 1HD LYS 15 1.099 -8.883 4.839
87 1HE LYS 15 2HE LYS 15 2.955 -9.155 6.213
88 2HE LYS 15 1HE LYS 15 3.023 -7.431 6.631
89 1HZ LYS 15 1HZ LYS 15 0.824 -9.265 7.423
90 2HZ LYS 15 3HZ LYS 15 2.109 -8.827 8.441
91 3HZ LYS 15 2HZ LYS 15 1.016 -7.645 7.897
92 H ASN 16 H ASN 16 3.549 -6.371 2.168
93 HA ASN 16 HA ASN 16 6.353 -5.987 3.148
94 1HB ASN 16 2HB ASN 16 5.186 -7.910 4.256
95 2HB ASN 16 1HB ASN 16 4.944 -8.631 2.665
96 1HD2 ASN 16 2HD2 ASN 16 8.191 -9.807 4.326
97 2HD2 ASN 16 1HD2 ASN 16 6.628 -9.635 4.965
98 H ASN 17 H ASN 17 6.622 -4.818 1.080
99 HA ASN 17 HA ASN 17 7.388 -6.613 -1.125
100 1HB ASN 17 2HB ASN 17 4.829 -5.226 -0.987
101 2HB ASN 17 1HB ASN 17 5.751 -4.753 -2.415
102 1HD2 ASN 17 2HD2 ASN 17 5.223 -7.821 -4.060
103 2HD2 ASN 17 1HD2 ASN 17 5.802 -6.228 -4.146
104 H GLU 18 H GLU 18 9.416 -5.767 -1.384
105 HA GLU 18 HA GLU 18 10.056 -2.991 -0.959
106 1HB GLU 18 2HB GLU 18 11.561 -5.101 -2.528
107 2HB GLU 18 1HB GLU 18 12.250 -3.680 -1.743
108 1HG GLU 18 2HG GLU 18 11.391 -4.587 0.454
109 2HG GLU 18 1HG GLU 18 10.970 -6.073 -0.398
110 H GLN 19 H GLN 19 8.352 -4.435 -3.397
111 HA GLN 19 HA GLN 19 9.402 -2.809 -5.605
112 1HB GLN 19 2HB GLN 19 7.048 -4.677 -5.305
113 2HB GLN 19 1HB GLN 19 7.530 -3.943 -6.834
114 1HG GLN 19 2HG GLN 19 9.769 -5.224 -5.454
115 2HG GLN 19 1HG GLN 19 8.472 -6.356 -5.835
116 1HE2 GLN 19 2HE2 GLN 19 10.777 -4.869 -8.820
117 2HE2 GLN 19 1HE2 GLN 19 11.046 -4.443 -7.199
118 H CYS 20 HN CAG 20 6.642 -2.957 -3.568
119 HA CYS 20 HA CAG 20 5.796 -0.229 -4.415
120 1HB CYS 20 2HB CAG 20 3.549 -1.069 -4.252
121 2HB CYS 20 1HB CAG 20 4.472 -2.264 -5.151
122 H GLN 21 H GLN 21 7.483 -1.432 -2.076
123 HA GLN 21 HA GLN 21 5.921 -1.099 0.336
124 1HB GLN 21 2HB GLN 21 8.617 -1.758 -0.516
125 2HB GLN 21 1HB GLN 21 8.650 -0.678 0.877
126 1HG GLN 21 2HG GLN 21 6.599 -2.676 1.241
127 2HG GLN 21 1HG GLN 21 8.141 -3.455 0.891
128 1HE2 GLN 21 2HE2 GLN 21 9.488 -2.720 4.059
129 2HE2 GLN 21 1HE2 GLN 21 9.642 -3.561 2.592
130 H LYS 22 H LYS 22 6.775 1.246 -1.889
131 HA LYS 22 HA LYS 22 6.441 3.354 0.140
132 1HB LYS 22 2HB LYS 22 8.656 4.379 -0.636
133 2HB LYS 22 1HB LYS 22 8.745 2.976 0.426
134 1HG LYS 22 2HG LYS 22 8.619 1.931 -2.187
135 2HG LYS 22 1HG LYS 22 9.745 3.283 -2.274
136 1HD LYS 22 2HD LYS 22 9.875 0.978 -0.307
137 2HD LYS 22 1HD LYS 22 10.955 1.238 -1.677
138 1HE LYS 22 2HE LYS 22 11.679 3.403 -0.670
139 2HE LYS 22 1HE LYS 22 10.656 3.062 0.737
140 1HZ LYS 22 1HZ LYS 22 12.244 0.804 0.023
141 2HZ LYS 22 3HZ LYS 22 13.221 2.155 0.336
142 3HZ LYS 22 2HZ LYS 22 12.129 1.606 1.515
143 H SER 23 H SER 23 5.597 2.366 -2.812
144 HA SER 23 HA SER 23 5.517 5.178 -3.801
145 1HB SER 23 2HB SER 23 6.030 2.641 -5.371
146 2HB SER 23 1HB SER 23 5.831 4.232 -6.103
147 HG SER 23 HG SER 23 7.839 4.581 -5.640
148 H CYS 24 HN CNP 24 3.438 3.756 -2.410
149 HA CYS 24 HA CNP 24 1.313 3.685 -4.460
150 1HB CYS 24 2HB CNP 24 0.433 1.977 -3.189
151 2HB CYS 24 1HB CNP 24 2.128 1.667 -3.034
152 H SER 25 H SER 25 -0.294 5.213 -4.219
153 HA SER 25 HA SER 25 0.154 7.382 -2.357
154 1HB SER 25 2HB SER 25 -2.253 6.725 -4.083
155 2HB SER 25 1HB SER 25 -1.825 8.311 -3.446
156 HG SER 25 HG SER 25 -0.770 8.469 -5.263
157 H CYS 26 HN CAG 26 -0.798 4.475 -1.400
158 HA CYS 26 HA CAG 26 -3.310 4.714 -0.163
159 1HB CYS 26 2HB CAG 26 -0.689 3.362 0.335
160 2HB CYS 26 1HB CAG 26 -1.930 3.282 1.579
161 HA PRO 27 HA PRO 27 -2.282 8.131 2.563
162 1HB PRO 27 2HB PRO 27 -4.749 8.254 3.756
163 2HB PRO 27 1HB PRO 27 -4.416 8.976 2.167
164 1HG PRO 27 2HG PRO 27 -5.705 6.368 2.827
165 2HG PRO 27 1HG PRO 27 -6.143 7.559 1.591
166 1HD PRO 27 2HD PRO 27 -4.790 5.298 0.995
167 2HD PRO 27 1HD PRO 27 -4.529 6.821 0.113
168 H THR 28 H THR 28 -0.853 6.968 3.814
169 HA THR 28 HA THR 28 -0.786 4.808 5.278
170 HB THR 28 HB THR 28 0.283 6.368 7.160
171 HG1 THR 28 HG1 THR 28 -0.924 8.142 5.880
172 1HG2 THR 28 1HG2 THR 28 1.095 5.489 4.485
173 2HG2 THR 28 3HG2 THR 28 2.023 6.867 5.076
174 3HG2 THR 28 2HG2 THR 28 1.962 5.377 6.016
175 H GLY 29 H GLY 29 -2.973 4.558 5.379
176 1HA GLY 29 2HA GLY 29 -3.978 4.435 8.075
177 2HA GLY 29 1HA GLY 29 -4.966 5.444 7.009
178 H CYS 30 HN CAG 30 -3.796 3.426 4.736
179 HA CYS 30 HA CAG 30 -6.159 1.976 4.348
180 1HB CYS 30 2HB CAG 30 -4.010 2.362 2.959
181 2HB CYS 30 1HB CAG 30 -3.431 0.885 3.714
182 H ASN 31 H ASN 31 -7.073 0.807 5.961
183 HA ASN 31 HA ASN 31 -5.408 -1.275 7.350
184 1HB ASN 31 2HB ASN 31 -7.535 0.642 8.179
185 2HB ASN 31 1HB ASN 31 -7.589 -0.955 8.925
186 1HD2 ASN 31 2HD2 ASN 31 -5.287 1.356 10.865
187 2HD2 ASN 31 1HD2 ASN 31 -6.884 1.538 10.319
188 H SER 32 H SER 32 -8.884 -0.682 6.754
189 HA SER 32 HA SER 32 -9.298 -3.561 6.165
190 1HB SER 32 2HB SER 32 -11.504 -1.606 5.902
191 2HB SER 32 1HB SER 32 -11.439 -3.098 6.836
192 HG SER 32 HG SER 32 -11.463 -0.942 7.970
193 H ASP 33 H ASP 33 -8.179 -3.655 4.133
194 HA ASP 33 HA ASP 33 -9.790 -2.637 1.868
195 1HB ASP 33 2HB ASP 33 -6.890 -2.011 2.456
196 2HB ASP 33 1HB ASP 33 -7.612 -1.789 0.862
197 H ASP 34 H ASP 34 -10.125 -5.024 1.928
198 HA ASP 34 HA ASP 34 -7.866 -6.689 1.057
199 1HB ASP 34 2HB ASP 34 -9.387 -7.596 2.735
200 2HB ASP 34 1HB ASP 34 -10.777 -7.244 1.708
201 H LYS 35 H LYS 35 -8.931 -4.564 -0.527
202 HA LYS 35 HA LYS 35 -9.414 -6.061 -3.031
203 1HB LYS 35 2HB LYS 35 -11.307 -4.466 -1.664
204 2HB LYS 35 1HB LYS 35 -10.707 -3.445 -2.972
205 1HG LYS 35 2HG LYS 35 -11.194 -6.173 -3.873
206 2HG LYS 35 1HG LYS 35 -12.649 -5.437 -3.202
207 1HD LYS 35 2HD LYS 35 -12.846 -4.556 -5.301
208 2HD LYS 35 1HD LYS 35 -11.703 -3.365 -4.681
209 1HE LYS 35 2HE LYS 35 -10.115 -4.057 -6.140
210 2HE LYS 35 1HE LYS 35 -10.304 -5.741 -5.609
211 1HZ LYS 35 1HZ LYS 35 -12.420 -5.765 -6.915
212 2HZ LYS 35 3HZ LYS 35 -11.965 -4.275 -7.584
213 3HZ LYS 35 2HZ LYS 35 -11.011 -5.654 -7.858
214 H CYS 36 HN CAG 36 -7.172 -5.012 -1.647
215 HA CYS 36 HA CAG 36 -6.208 -2.942 -3.561
216 1HB CYS 36 2HB CAG 36 -6.634 -2.277 -1.119
217 2HB CYS 36 1HB CAG 36 -5.247 -3.289 -0.745
218 HA PRO 37 HA PRO 37 -3.289 -6.329 -3.604
219 1HB PRO 37 2HB PRO 37 -3.775 -7.040 -6.246
220 2HB PRO 37 1HB PRO 37 -4.615 -7.751 -4.855
221 1HG PRO 37 2HG PRO 37 -5.708 -6.034 -6.874
222 2HG PRO 37 1HG PRO 37 -6.529 -6.783 -5.500
223 1HD PRO 37 2HD PRO 37 -5.507 -4.049 -5.798
224 2HD PRO 37 1HD PRO 37 -6.767 -4.695 -4.717
225 H CYS 38 HN CAG 38 -3.074 -3.570 -3.711
226 HA CYS 38 HA CAG 38 -1.791 -2.448 -5.993
227 1HB CYS 38 2HB CAG 38 -2.593 -0.946 -4.536
228 2HB CYS 38 1HB CAG 38 -2.314 -1.948 -3.129
229 H GLY 39 H GLY 39 0.133 -2.424 -6.643
230 1HA GLY 39 2HA GLY 39 2.410 -3.378 -5.003
231 2HA GLY 39 1HA GLY 39 2.115 -4.196 -6.543
232 H ASN 40 HN ASN 40 1.134 -0.949 -6.573
233 HA ASN 40 HA ASN 40 3.396 -0.257 -8.371
234 1HB ASN 40 2HB ASN 40 1.914 1.812 -8.681
235 2HB ASN 40 1HB ASN 40 1.201 0.276 -9.167
236 1HD2 ASN 40 2HD2 ASN 40 -0.138 1.959 -5.650
237 2HD2 ASN 40 1HD2 ASN 40 1.472 2.217 -6.121
Start of MODEL 3
1 1H GLN 1 2H GLN 1 -2.409 10.801 -6.075
2 2H GLN 1 1H GLN 1 -2.811 9.695 -7.300
3 3H GLN 1 3H GLN 1 -2.675 9.167 -5.695
4 HA GLN 1 HA GLN 1 -0.688 8.479 -6.766
5 1HB GLN 1 2HB GLN 1 -0.959 11.262 -7.891
6 2HB GLN 1 1HB GLN 1 0.593 10.425 -7.940
7 1HG GLN 1 2HG GLN 1 -0.105 8.954 -9.531
8 2HG GLN 1 1HG GLN 1 -1.717 8.807 -8.824
9 1HE2 GLN 1 2HE2 GLN 1 -2.227 10.612 -12.006
10 2HE2 GLN 1 1HE2 GLN 1 -1.804 9.043 -11.518
11 H ASN 2 H ASN 2 -1.573 9.890 -4.208
12 HA ASN 2 HA ASN 2 0.799 11.413 -3.356
13 1HB ASN 2 2HB ASN 2 -1.836 10.526 -2.206
14 2HB ASN 2 1HB ASN 2 -0.588 11.170 -1.138
15 1HD2 ASN 2 2HD2 ASN 2 -2.490 14.148 -2.131
16 2HD2 ASN 2 1HD2 ASN 2 -2.665 12.812 -1.098
17 H GLU 3 H GLU 3 1.527 8.822 -4.182
18 HA GLU 3 HA GLU 3 1.819 7.200 -1.700
19 1HB GLU 3 2HB GLU 3 2.519 5.475 -3.295
20 2HB GLU 3 1HB GLU 3 1.076 6.263 -3.935
21 1HG GLU 3 2HG GLU 3 2.885 7.865 -5.051
22 2HG GLU 3 1HG GLU 3 3.904 6.437 -4.878
23 H GLY 4 H GLY 4 3.228 9.678 -1.994
24 1HA GLY 4 2HA GLY 4 6.061 8.873 -2.405
25 2HA GLY 4 1HA GLY 4 5.497 10.520 -2.056
26 H HIS 5 H HIS 5 4.946 7.355 -0.535
27 HA HIS 5 HA HIS 5 5.905 8.518 2.057
28 1HB HIS 5 2HB HIS 5 3.826 7.709 3.061
29 2HB HIS 5 1HB HIS 5 3.447 8.749 1.693
30 HD1 HIS 5 HD1 HIS 5 4.531 5.682 0.172
31 HD2 HIS 5 HD2 HIS 5 1.000 6.860 1.979
32 HE1 HIS 5 HE1 HIS 5 2.777 3.962 -0.413
33 H GLU 6 H GLU 6 5.580 6.595 3.768
34 HA GLU 6 HA GLU 6 7.124 4.293 2.706
35 1HB GLU 6 2HB GLU 6 7.202 3.721 5.163
36 2HB GLU 6 1HB GLU 6 7.904 5.293 4.777
37 1HG GLU 6 2HG GLU 6 5.076 5.586 5.232
38 2HG GLU 6 1HG GLU 6 5.810 4.750 6.600
39 H CYS 7 HN CNP 7 5.986 2.494 2.156
40 HA CYS 7 HA CNP 7 3.221 2.276 2.015
41 1HB CYS 7 2HB CNP 7 5.081 0.808 1.114
42 2HB CYS 7 1HB CNP 7 5.089 -0.017 2.661
43 H GLN 8 H GLN 8 1.758 2.538 3.652
44 HA GLN 8 HA GLN 8 2.530 1.510 6.372
45 1HB GLN 8 2HB GLN 8 1.334 3.969 5.302
46 2HB GLN 8 1HB GLN 8 0.471 3.322 6.697
47 1HG GLN 8 2HG GLN 8 2.116 3.955 8.101
48 2HG GLN 8 1HG GLN 8 3.346 3.189 7.096
49 1HE2 GLN 8 2HE2 GLN 8 3.655 7.018 7.168
50 2HE2 GLN 8 1HE2 GLN 8 3.362 5.921 8.430
51 H CYS 9 HN CAG 9 1.166 -0.107 4.252
52 HA CYS 9 HA CAG 9 -1.635 -0.284 5.179
53 1HB CYS 9 2HB CAG 9 0.123 -1.736 3.209
54 2HB CYS 9 1HB CAG 9 -1.584 -2.124 3.423
55 H GLN 10 H GLN 10 -1.755 -3.192 4.938
56 HA GLN 10 HA GLN 10 0.030 -4.207 7.087
57 1HB GLN 10 2HB GLN 10 -2.871 -3.562 7.272
58 2HB GLN 10 1HB GLN 10 -2.357 -5.072 8.025
59 1HG GLN 10 2HG GLN 10 -0.652 -3.865 9.320
60 2HG GLN 10 1HG GLN 10 -1.121 -2.351 8.547
61 1HE2 GLN 10 2HE2 GLN 10 -3.254 -1.918 11.353
62 2HE2 GLN 10 1HE2 GLN 10 -1.845 -1.387 10.570
63 H CYS 11 HN CNP 11 -1.021 -4.683 4.110
64 HA CYS 11 HA CNP 11 -2.017 -7.411 4.218
65 1HB CYS 11 2HB CNP 11 -0.979 -5.873 1.844
66 2HB CYS 11 1HB CNP 11 -2.277 -7.031 1.918
67 H GLY 12 H GLY 12 -0.823 -8.972 2.687
68 1HA GLY 12 2HA GLY 12 1.915 -9.293 3.589
69 2HA GLY 12 1HA GLY 12 1.094 -10.314 2.402
70 H SER 13 H SER 13 0.348 -7.630 1.039
71 HA SER 13 HA SER 13 2.569 -7.636 -0.854
72 1HB SER 13 2HB SER 13 -0.078 -6.266 -0.496
73 2HB SER 13 1HB SER 13 1.061 -5.626 -1.679
74 HG SER 13 HG SER 13 0.587 -8.383 -1.624
75 H CYS 14 HN CAG 14 1.278 -5.373 1.604
76 HA CYS 14 HA CAG 14 3.451 -3.465 1.128
77 1HB CYS 14 2HB CAG 14 1.059 -3.626 2.998
78 2HB CYS 14 1HB CAG 14 2.111 -2.263 2.845
79 H LYS 15 H LYS 15 2.082 -5.095 3.991
80 HA LYS 15 HA LYS 15 3.991 -4.656 5.908
81 1HB LYS 15 2HB LYS 15 2.946 -6.420 6.997
82 2HB LYS 15 1HB LYS 15 1.783 -6.133 5.707
83 1HG LYS 15 2HG LYS 15 2.879 -7.901 4.352
84 2HG LYS 15 1HG LYS 15 3.992 -8.210 5.684
85 1HD LYS 15 2HD LYS 15 1.799 -8.480 7.098
86 2HD LYS 15 1HD LYS 15 1.040 -8.746 5.528
87 1HE LYS 15 2HE LYS 15 2.016 -10.800 5.274
88 2HE LYS 15 1HE LYS 15 3.558 -10.251 5.961
89 1HZ LYS 15 3HZ LYS 15 1.072 -10.695 7.529
90 2HZ LYS 15 2HZ LYS 15 2.366 -11.795 7.446
91 3HZ LYS 15 1HZ LYS 15 2.591 -10.264 8.148
92 H ASN 16 H ASN 16 4.288 -7.049 3.266
93 HA ASN 16 HA ASN 16 7.133 -7.479 4.140
94 1HB ASN 16 2HB ASN 16 5.193 -9.303 4.234
95 2HB ASN 16 1HB ASN 16 5.602 -9.483 2.528
96 1HD2 ASN 16 2HD2 ASN 16 7.843 -11.837 4.260
97 2HD2 ASN 16 1HD2 ASN 16 6.193 -11.717 3.878
98 H ASN 17 H ASN 17 5.161 -8.068 1.197
99 HA ASN 17 HA ASN 17 7.204 -7.953 -0.704
100 1HB ASN 17 2HB ASN 17 4.366 -7.880 -0.580
101 2HB ASN 17 1HB ASN 17 4.870 -6.605 -1.692
102 1HD2 ASN 17 2HD2 ASN 17 5.026 -9.199 -4.120
103 2HD2 ASN 17 1HD2 ASN 17 4.178 -7.825 -3.596
104 H GLU 18 H GLU 18 8.780 -6.388 -0.435
105 HA GLU 18 HA GLU 18 8.092 -3.585 0.015
106 1HB GLU 18 2HB GLU 18 10.585 -3.353 -0.163
107 2HB GLU 18 1HB GLU 18 10.088 -4.586 0.994
108 1HG GLU 18 2HG GLU 18 10.740 -6.342 -0.383
109 2HG GLU 18 1HG GLU 18 10.572 -5.384 -1.855
110 H GLN 19 H GLN 19 7.627 -5.377 -2.624
111 HA GLN 19 HA GLN 19 8.993 -3.852 -4.673
112 1HB GLN 19 2HB GLN 19 7.003 -6.031 -4.452
113 2HB GLN 19 1HB GLN 19 6.982 -5.115 -5.960
114 1HG GLN 19 2HG GLN 19 9.687 -5.829 -5.057
115 2HG GLN 19 1HG GLN 19 8.672 -7.224 -5.427
116 1HE2 GLN 19 2HE2 GLN 19 10.222 -6.208 -8.639
117 2HE2 GLN 19 1HE2 GLN 19 10.759 -6.855 -7.165
118 H CYS 20 HN CAG 20 5.928 -3.733 -3.149
119 HA CYS 20 HA CAG 20 5.134 -1.351 -4.764
120 1HB CYS 20 2HB CAG 20 2.876 -2.062 -4.283
121 2HB CYS 20 1HB CAG 20 3.770 -3.484 -4.804
122 H GLN 21 H GLN 21 6.676 -1.952 -2.008
123 HA GLN 21 HA GLN 21 5.065 -0.437 -0.082
124 1HB GLN 21 2HB GLN 21 7.693 -1.852 -0.214
125 2HB GLN 21 1HB GLN 21 7.437 -0.696 1.091
126 1HG GLN 21 2HG GLN 21 5.073 -2.268 0.886
127 2HG GLN 21 1HG GLN 21 6.446 -3.377 0.882
128 1HE2 GLN 21 2HE2 GLN 21 7.628 -2.004 4.111
129 2HE2 GLN 21 1HE2 GLN 21 8.278 -2.265 2.564
130 H LYS 22 H LYS 22 6.469 0.734 -2.741
131 HA LYS 22 HA LYS 22 7.482 3.150 -1.298
132 1HB LYS 22 2HB LYS 22 8.779 1.880 -3.718
133 2HB LYS 22 1HB LYS 22 9.425 3.188 -2.727
134 1HG LYS 22 2HG LYS 22 8.856 0.386 -1.713
135 2HG LYS 22 1HG LYS 22 10.450 0.976 -2.182
136 1HD LYS 22 2HD LYS 22 9.195 2.841 -0.360
137 2HD LYS 22 1HD LYS 22 9.227 1.225 0.347
138 1HE LYS 22 2HE LYS 22 11.739 1.308 -0.668
139 2HE LYS 22 1HE LYS 22 11.493 3.032 -0.326
140 1HZ LYS 22 3HZ LYS 22 10.372 1.704 1.805
141 2HZ LYS 22 2HZ LYS 22 11.822 0.871 1.507
142 3HZ LYS 22 1HZ LYS 22 11.846 2.542 1.805
143 H SER 23 H SER 23 5.089 2.237 -3.295
144 HA SER 23 HA SER 23 4.915 4.927 -4.425
145 1HB SER 23 2HB SER 23 5.534 2.487 -6.084
146 2HB SER 23 1HB SER 23 4.693 3.858 -6.803
147 HG SER 23 HG SER 23 6.783 4.352 -7.092
148 H CYS 24 HN CNP 24 3.303 3.260 -2.741
149 HA CYS 24 HA CNP 24 0.878 2.819 -4.359
150 1HB CYS 24 2HB CNP 24 0.488 1.185 -2.796
151 2HB CYS 24 1HB CNP 24 2.217 1.217 -2.748
152 H SER 25 H SER 25 -0.664 4.406 -4.229
153 HA SER 25 HA SER 25 -0.263 6.675 -2.432
154 1HB SER 25 2HB SER 25 -2.450 7.379 -3.549
155 2HB SER 25 1HB SER 25 -1.116 7.042 -4.649
156 HG SER 25 HG SER 25 -2.145 5.340 -5.369
157 H CYS 26 HN CAG 26 -1.023 3.854 -1.365
158 HA CYS 26 HA CAG 26 -3.570 3.762 -0.262
159 1HB CYS 26 2HB CAG 26 -0.772 2.935 0.412
160 2HB CYS 26 1HB CAG 26 -2.011 2.760 1.661
161 HA PRO 27 HA PRO 27 -3.179 7.548 2.180
162 1HB PRO 27 2HB PRO 27 -5.769 7.514 3.100
163 2HB PRO 27 1HB PRO 27 -5.329 8.159 1.504
164 1HG PRO 27 2HG PRO 27 -6.428 5.474 2.220
165 2HG PRO 27 1HG PRO 27 -6.853 6.541 0.869
166 1HD PRO 27 2HD PRO 27 -5.237 4.411 0.540
167 2HD PRO 27 1HD PRO 27 -5.009 5.914 -0.384
168 H THR 28 H THR 28 -1.777 6.557 3.589
169 HA THR 28 HA THR 28 -1.657 4.468 5.138
170 HB THR 28 HB THR 28 -0.562 5.890 6.882
171 HG1 THR 28 HG1 THR 28 -0.616 8.216 6.168
172 1HG2 THR 28 1HG2 THR 28 0.337 5.317 4.507
173 2HG2 THR 28 3HG2 THR 28 0.024 7.015 4.151
174 3HG2 THR 28 2HG2 THR 28 1.157 6.577 5.428
175 H GLY 29 H GLY 29 -3.785 4.018 5.078
176 1HA GLY 29 2HA GLY 29 -5.016 3.846 7.673
177 2HA GLY 29 1HA GLY 29 -6.004 4.723 6.495
178 H CYS 30 HN CAG 30 -4.473 2.841 4.370
179 HA CYS 30 HA CAG 30 -6.555 1.123 3.747
180 1HB CYS 30 2HB CAG 30 -4.333 1.692 2.580
181 2HB CYS 30 1HB CAG 30 -3.630 0.391 3.539
182 H ASN 31 H ASN 31 -7.479 -0.531 4.824
183 HA ASN 31 HA ASN 31 -5.805 -2.355 6.474
184 1HB ASN 31 2HB ASN 31 -7.368 -0.232 7.494
185 2HB ASN 31 1HB ASN 31 -8.272 -1.707 7.840
186 1HD2 ASN 31 2HD2 ASN 31 -5.047 -0.865 10.058
187 2HD2 ASN 31 1HD2 ASN 31 -5.786 0.259 9.022
188 H SER 32 H SER 32 -7.728 -2.232 3.958
189 HA SER 32 HA SER 32 -9.320 -4.662 4.718
190 1HB SER 32 2HB SER 32 -10.982 -3.107 4.347
191 2HB SER 32 1HB SER 32 -9.964 -2.124 3.298
192 HG SER 32 HG SER 32 -11.392 -3.087 1.955
193 H ASP 33 H ASP 33 -9.902 -5.950 2.643
194 HA ASP 33 HA ASP 33 -7.408 -6.333 1.087
195 1HB ASP 33 2HB ASP 33 -9.213 -8.004 2.290
196 2HB ASP 33 1HB ASP 33 -9.775 -8.042 0.619
197 H ASP 34 H ASP 34 -10.831 -5.513 0.555
198 HA ASP 34 HA ASP 34 -10.348 -5.242 -2.337
199 1HB ASP 34 2HB ASP 34 -12.504 -6.061 -0.789
200 2HB ASP 34 1HB ASP 34 -12.965 -4.428 -1.277
201 H LYS 35 H LYS 35 -9.123 -3.569 -0.376
202 HA LYS 35 HA LYS 35 -9.895 -0.951 -1.510
203 1HB LYS 35 2HB LYS 35 -10.678 -1.582 0.972
204 2HB LYS 35 1HB LYS 35 -9.007 -1.162 1.352
205 1HG LYS 35 2HG LYS 35 -9.610 1.006 1.349
206 2HG LYS 35 1HG LYS 35 -9.938 0.866 -0.379
207 1HD LYS 35 2HD LYS 35 -12.235 0.054 0.158
208 2HD LYS 35 1HD LYS 35 -11.900 0.321 1.869
209 1HE LYS 35 2HE LYS 35 -11.849 2.658 1.631
210 2HE LYS 35 1HE LYS 35 -11.511 2.567 -0.109
211 1HZ LYS 35 1HZ LYS 35 -13.801 1.181 0.081
212 2HZ LYS 35 3HZ LYS 35 -14.040 2.349 1.288
213 3HZ LYS 35 2HZ LYS 35 -13.721 2.833 -0.308
214 H CYS 36 HN CAG 36 -7.973 -2.987 -2.057
215 HA CYS 36 HA CAG 36 -5.447 -1.452 -1.655
216 1HB CYS 36 2HB CAG 36 -5.962 -3.658 -0.322
217 2HB CYS 36 1HB CAG 36 -5.506 -4.416 -1.820
218 HA PRO 37 HA PRO 37 -6.001 -2.624 -5.980
219 1HB PRO 37 2HB PRO 37 -6.348 -0.055 -6.943
220 2HB PRO 37 1HB PRO 37 -7.681 -1.109 -6.437
221 1HG PRO 37 2HG PRO 37 -6.694 1.283 -5.155
222 2HG PRO 37 1HG PRO 37 -8.131 0.327 -4.781
223 1HD PRO 37 2HD PRO 37 -5.543 0.348 -3.460
224 2HD PRO 37 1HD PRO 37 -7.089 -0.349 -2.924
225 H CYS 38 HN CAG 38 -3.780 -2.543 -4.398
226 HA CYS 38 HA CAG 38 -1.752 -0.676 -5.327
227 1HB CYS 38 2HB CAG 38 -2.278 -2.141 -3.201
228 2HB CYS 38 1HB CAG 38 -1.227 -3.273 -4.011
229 H GLY 39 H GLY 39 -3.127 -2.830 -6.940
230 1HA GLY 39 2HA GLY 39 -0.913 -4.408 -8.032
231 2HA GLY 39 1HA GLY 39 -2.584 -4.468 -8.597
232 H ASN 40 HN ASN 40 -0.716 -1.479 -8.271
233 HA ASN 40 HA ASN 40 -1.222 -0.862 -11.106
234 1HB ASN 40 2HB ASN 40 -0.391 1.329 -10.444
235 2HB ASN 40 1HB ASN 40 -1.472 0.742 -9.180
236 1HD2 ASN 40 1HD2 ASN 40 -0.528 0.138 -7.118
237 2HD2 ASN 40 2HD2 ASN 40 1.088 0.485 -6.733
Start of MODEL 4
1 1H GLN 1 3H GLN 1 -2.090 13.204 -5.493
2 2H GLN 1 2H GLN 1 -0.914 13.681 -6.622
3 3H GLN 1 1H GLN 1 -2.235 12.735 -7.117
4 HA GLN 1 HA GLN 1 -1.401 10.806 -6.201
5 1HB GLN 1 2HB GLN 1 0.970 12.565 -6.915
6 2HB GLN 1 1HB GLN 1 0.962 10.802 -6.935
7 1HG GLN 1 2HG GLN 1 -0.753 10.784 -8.668
8 2HG GLN 1 1HG GLN 1 -0.882 12.543 -8.598
9 1HE2 GLN 1 2HE2 GLN 1 1.656 11.152 -11.218
10 2HE2 GLN 1 1HE2 GLN 1 0.198 10.442 -10.716
11 H ASN 2 H ASN 2 -1.928 10.988 -3.879
12 HA ASN 2 HA ASN 2 0.129 12.138 -2.091
13 1HB ASN 2 2HB ASN 2 -2.643 11.016 -1.907
14 2HB ASN 2 1HB ASN 2 -1.662 11.050 -0.441
15 1HD2 ASN 2 2HD2 ASN 2 -3.522 14.328 -0.876
16 2HD2 ASN 2 1HD2 ASN 2 -4.038 12.711 -0.891
17 H GLU 3 H GLU 3 0.966 9.869 -3.721
18 HA GLU 3 HA GLU 3 1.129 7.658 -1.703
19 1HB GLU 3 2HB GLU 3 1.870 6.369 -3.757
20 2HB GLU 3 1HB GLU 3 0.270 7.084 -3.941
21 1HG GLU 3 2HG GLU 3 1.042 8.775 -5.368
22 2HG GLU 3 1HG GLU 3 2.710 8.605 -4.820
23 H GLY 4 H GLY 4 2.630 10.118 -1.606
24 1HA GLY 4 2HA GLY 4 5.422 9.222 -2.139
25 2HA GLY 4 1HA GLY 4 4.949 10.865 -1.669
26 H HIS 5 H HIS 5 4.125 7.678 -0.379
27 HA HIS 5 HA HIS 5 5.080 8.606 2.311
28 1HB HIS 5 2HB HIS 5 3.044 7.525 3.175
29 2HB HIS 5 1HB HIS 5 2.631 8.723 1.954
30 HD1 HIS 5 HD1 HIS 5 3.918 5.900 0.107
31 HD2 HIS 5 HD2 HIS 5 0.275 6.753 1.875
32 HE1 HIS 5 HE1 HIS 5 2.217 4.277 -0.845
33 H GLU 6 H GLU 6 4.909 6.523 3.836
34 HA GLU 6 HA GLU 6 6.618 4.446 2.579
35 1HB GLU 6 2HB GLU 6 5.711 5.062 5.405
36 2HB GLU 6 1HB GLU 6 6.691 3.656 4.993
37 1HG GLU 6 2HG GLU 6 8.565 4.919 4.520
38 2HG GLU 6 1HG GLU 6 7.623 6.326 4.027
39 H CYS 7 HN CNP 7 5.643 2.575 1.896
40 HA CYS 7 HA CNP 7 2.933 2.137 1.625
41 1HB CYS 7 2HB CNP 7 4.846 0.802 0.749
42 2HB CYS 7 1HB CNP 7 4.989 0.020 2.314
43 H GLN 8 H GLN 8 1.436 2.415 3.234
44 HA GLN 8 HA GLN 8 2.055 1.252 5.927
45 1HB GLN 8 2HB GLN 8 1.728 3.648 5.865
46 2HB GLN 8 1HB GLN 8 0.238 3.460 4.942
47 1HG GLN 8 2HG GLN 8 -0.945 3.195 6.827
48 2HG GLN 8 1HG GLN 8 0.095 1.858 7.322
49 1HE2 GLN 8 2HE2 GLN 8 2.418 4.314 8.924
50 2HE2 GLN 8 1HE2 GLN 8 2.560 3.186 7.665
51 H CYS 9 HN CAG 9 1.042 -0.330 3.684
52 HA CYS 9 HA CAG 9 -1.832 -0.721 4.134
53 1HB CYS 9 2HB CAG 9 0.394 -1.992 2.556
54 2HB CYS 9 1HB CAG 9 -1.237 -2.672 2.540
55 H GLN 10 H GLN 10 -2.717 -2.318 5.484
56 HA GLN 10 HA GLN 10 -0.860 -3.686 7.336
57 1HB GLN 10 2HB GLN 10 -3.337 -2.487 7.520
58 2HB GLN 10 1HB GLN 10 -3.755 -4.200 7.507
59 1HG GLN 10 2HG GLN 10 -1.787 -4.395 9.246
60 2HG GLN 10 1HG GLN 10 -2.093 -2.675 9.486
61 1HE2 GLN 10 2HE2 GLN 10 -4.594 -3.621 11.796
62 2HE2 GLN 10 1HE2 GLN 10 -3.128 -2.804 11.547
63 H CYS 11 HN CNP 11 -1.320 -4.474 4.384
64 HA CYS 11 HA CNP 11 -2.599 -7.070 4.438
65 1HB CYS 11 2HB CNP 11 -0.719 -5.842 2.418
66 2HB CYS 11 1HB CNP 11 -2.016 -6.973 2.139
67 H GLY 12 H GLY 12 -0.817 -8.459 2.862
68 1HA GLY 12 2HA GLY 12 1.468 -9.000 4.705
69 2HA GLY 12 1HA GLY 12 0.669 -10.252 3.744
70 H SER 13 H SER 13 0.465 -8.001 1.593
71 HA SER 13 HA SER 13 2.925 -8.757 0.174
72 1HB SER 13 2HB SER 13 0.363 -8.308 -0.556
73 2HB SER 13 1HB SER 13 1.021 -6.699 -0.841
74 HG SER 13 HG SER 13 1.698 -7.557 -2.637
75 H CYS 14 HN CAG 14 1.592 -5.920 1.837
76 HA CYS 14 HA CAG 14 3.754 -4.172 0.915
77 1HB CYS 14 2HB CAG 14 1.327 -3.967 2.734
78 2HB CYS 14 1HB CAG 14 2.433 -2.666 2.470
79 H LYS 15 H LYS 15 2.527 -5.585 3.922
80 HA LYS 15 HA LYS 15 4.458 -4.677 5.757
81 1HB LYS 15 2HB LYS 15 2.933 -7.286 5.474
82 2HB LYS 15 1HB LYS 15 3.801 -6.824 6.939
83 1HG LYS 15 2HG LYS 15 2.436 -4.636 6.831
84 2HG LYS 15 1HG LYS 15 1.404 -5.489 5.686
85 1HD LYS 15 2HD LYS 15 0.403 -5.847 7.818
86 2HD LYS 15 1HD LYS 15 1.251 -7.348 7.445
87 1HE LYS 15 2HE LYS 15 2.904 -6.971 9.038
88 2HE LYS 15 1HE LYS 15 2.731 -5.207 8.944
89 1HZ LYS 15 3HZ LYS 15 0.347 -6.651 9.738
90 2HZ LYS 15 2HZ LYS 15 1.618 -6.701 10.865
91 3HZ LYS 15 1HZ LYS 15 0.993 -5.207 10.351
92 H ASN 16 H ASN 16 4.799 -6.924 3.128
93 HA ASN 16 HA ASN 16 7.595 -7.521 4.028
94 1HB ASN 16 2HB ASN 16 5.422 -9.356 2.998
95 2HB ASN 16 1HB ASN 16 7.124 -9.819 2.970
96 1HD2 ASN 16 2HD2 ASN 16 5.110 -9.738 6.519
97 2HD2 ASN 16 1HD2 ASN 16 4.378 -9.157 5.102
98 H ASN 17 H ASN 17 5.648 -8.406 1.157
99 HA ASN 17 HA ASN 17 7.650 -8.124 -0.786
100 1HB ASN 17 2HB ASN 17 4.854 -8.501 -0.626
101 2HB ASN 17 1HB ASN 17 5.096 -7.157 -1.743
102 1HD2 ASN 17 2HD2 ASN 17 5.767 -9.525 -4.273
103 2HD2 ASN 17 1HD2 ASN 17 4.831 -8.203 -3.766
104 H GLU 18 H GLU 18 8.991 -6.323 -0.573
105 HA GLU 18 HA GLU 18 7.880 -3.626 -0.285
106 1HB GLU 18 2HB GLU 18 10.252 -3.015 -0.262
107 2HB GLU 18 1HB GLU 18 10.013 -4.445 0.744
108 1HG GLU 18 2HG GLU 18 10.827 -5.895 -0.995
109 2HG GLU 18 1HG GLU 18 10.836 -4.576 -2.166
110 H GLN 19 H GLN 19 7.729 -5.586 -2.827
111 HA GLN 19 HA GLN 19 9.000 -4.133 -4.950
112 1HB GLN 19 2HB GLN 19 7.012 -6.291 -4.595
113 2HB GLN 19 1HB GLN 19 6.935 -5.440 -6.139
114 1HG GLN 19 2HG GLN 19 9.528 -5.781 -6.170
115 2HG GLN 19 1HG GLN 19 9.201 -7.044 -4.981
116 1HE2 GLN 19 2HE2 GLN 19 7.413 -9.114 -7.336
117 2HE2 GLN 19 1HE2 GLN 19 7.465 -8.699 -5.691
118 H CYS 20 HN CAG 20 6.080 -3.716 -3.263
119 HA CYS 20 HA CAG 20 5.320 -1.414 -4.992
120 1HB CYS 20 2HB CAG 20 3.073 -2.180 -4.795
121 2HB CYS 20 1HB CAG 20 4.026 -3.617 -5.123
122 H GLN 21 H GLN 21 6.714 -1.991 -2.184
123 HA GLN 21 HA GLN 21 4.892 -0.570 -0.372
124 1HB GLN 21 2HB GLN 21 6.429 -1.228 1.281
125 2HB GLN 21 1HB GLN 21 6.422 -2.550 0.118
126 1HG GLN 21 2HG GLN 21 8.506 -1.889 -0.811
127 2HG GLN 21 1HG GLN 21 8.435 -0.302 -0.048
128 1HE2 GLN 21 2HE2 GLN 21 8.955 -3.317 2.676
129 2HE2 GLN 21 1HE2 GLN 21 7.678 -3.403 1.561
130 H LYS 22 H LYS 22 6.203 0.786 -2.748
131 HA LYS 22 HA LYS 22 7.334 3.061 -1.171
132 1HB LYS 22 2HB LYS 22 9.137 3.215 -2.831
133 2HB LYS 22 1HB LYS 22 9.118 1.633 -2.050
134 1HG LYS 22 2HG LYS 22 7.798 0.749 -3.978
135 2HG LYS 22 1HG LYS 22 7.977 2.313 -4.773
136 1HD LYS 22 2HD LYS 22 10.257 0.508 -3.907
137 2HD LYS 22 1HD LYS 22 9.689 0.720 -5.564
138 1HE LYS 22 2HE LYS 22 10.121 3.262 -5.151
139 2HE LYS 22 1HE LYS 22 11.133 2.699 -3.804
140 1HZ LYS 22 1HZ LYS 22 12.048 1.049 -5.511
141 2HZ LYS 22 3HZ LYS 22 11.386 2.080 -6.683
142 3HZ LYS 22 2HZ LYS 22 12.574 2.661 -5.615
143 H SER 23 H SER 23 4.885 2.354 -3.201
144 HA SER 23 HA SER 23 4.774 5.153 -4.102
145 1HB SER 23 2HB SER 23 5.140 2.836 -6.010
146 2HB SER 23 1HB SER 23 4.652 4.447 -6.526
147 HG SER 23 HG SER 23 6.587 5.228 -5.548
148 H CYS 24 HN CNP 24 2.823 3.965 -2.515
149 HA CYS 24 HA CNP 24 0.604 3.586 -4.427
150 1HB CYS 24 2HB CNP 24 -0.352 2.646 -2.158
151 2HB CYS 24 1HB CNP 24 0.555 1.684 -3.257
152 H SER 25 H SER 25 -1.347 4.737 -4.029
153 HA SER 25 HA SER 25 -0.940 7.246 -2.521
154 1HB SER 25 2HB SER 25 -2.635 8.014 -3.893
155 2HB SER 25 1HB SER 25 -2.194 6.603 -4.850
156 HG SER 25 HG SER 25 -3.967 5.613 -4.218
157 H CYS 26 HN CAG 26 -1.482 4.303 -1.466
158 HA CYS 26 HA CAG 26 -3.900 4.209 -0.058
159 1HB CYS 26 2HB CAG 26 -1.064 3.248 0.370
160 2HB CYS 26 1HB CAG 26 -2.383 2.769 1.424
161 HA PRO 27 HA PRO 27 -2.907 7.718 2.618
162 1HB PRO 27 2HB PRO 27 -5.370 7.800 3.826
163 2HB PRO 27 1HB PRO 27 -5.053 8.547 2.245
164 1HG PRO 27 2HG PRO 27 -6.301 5.909 2.873
165 2HG PRO 27 1HG PRO 27 -6.768 7.115 1.662
166 1HD PRO 27 2HD PRO 27 -5.390 4.889 1.009
167 2HD PRO 27 1HD PRO 27 -5.145 6.435 0.161
168 H THR 28 H THR 28 -1.460 6.619 3.855
169 HA THR 28 HA THR 28 -1.310 4.398 5.222
170 HB THR 28 HB THR 28 -0.090 5.700 7.037
171 HG1 THR 28 HG1 THR 28 0.026 8.025 6.192
172 1HG2 THR 28 3HG2 THR 28 0.410 5.347 4.287
173 2HG2 THR 28 2HG2 THR 28 0.900 7.003 4.649
174 3HG2 THR 28 1HG2 THR 28 1.602 5.659 5.549
175 H GLY 29 H GLY 29 -3.411 3.993 5.307
176 1HA GLY 29 2HA GLY 29 -4.475 3.696 7.969
177 2HA GLY 29 1HA GLY 29 -5.518 4.653 6.906
178 H CYS 30 HN CAG 30 -4.258 2.964 4.543
179 HA CYS 30 HA CAG 30 -6.324 1.301 3.900
180 1HB CYS 30 2HB CAG 30 -4.126 1.855 2.723
181 2HB CYS 30 1HB CAG 30 -3.413 0.529 3.637
182 H ASN 31 H ASN 31 -7.321 -0.333 4.967
183 HA ASN 31 HA ASN 31 -5.677 -2.291 6.504
184 1HB ASN 31 2HB ASN 31 -7.844 -0.452 7.465
185 2HB ASN 31 1HB ASN 31 -7.701 -2.047 8.206
186 1HD2 ASN 31 2HD2 ASN 31 -5.483 0.382 10.045
187 2HD2 ASN 31 1HD2 ASN 31 -7.140 0.362 9.680
188 H SER 32 H SER 32 -7.318 -2.215 3.915
189 HA SER 32 HA SER 32 -9.076 -4.555 4.570
190 1HB SER 32 2HB SER 32 -10.546 -2.717 4.247
191 2HB SER 32 1HB SER 32 -9.577 -2.071 2.925
192 HG SER 32 HG SER 32 -10.875 -3.173 1.698
193 H ASP 33 H ASP 33 -9.576 -5.821 2.482
194 HA ASP 33 HA ASP 33 -7.051 -6.154 0.955
195 1HB ASP 33 2HB ASP 33 -9.609 -7.751 1.269
196 2HB ASP 33 1HB ASP 33 -8.286 -8.248 0.213
197 H ASP 34 H ASP 34 -10.472 -5.367 0.437
198 HA ASP 34 HA ASP 34 -10.040 -5.093 -2.460
199 1HB ASP 34 2HB ASP 34 -12.109 -6.087 -1.105
200 2HB ASP 34 1HB ASP 34 -12.595 -4.393 -1.053
201 H LYS 35 H LYS 35 -8.801 -3.414 -0.494
202 HA LYS 35 HA LYS 35 -9.614 -0.795 -1.606
203 1HB LYS 35 2HB LYS 35 -10.293 -1.480 0.908
204 2HB LYS 35 1HB LYS 35 -8.624 -1.000 1.218
205 1HG LYS 35 2HG LYS 35 -9.032 1.211 0.771
206 2HG LYS 35 1HG LYS 35 -10.243 0.845 -0.460
207 1HD LYS 35 2HD LYS 35 -11.188 -0.093 2.085
208 2HD LYS 35 1HD LYS 35 -10.693 1.593 2.243
209 1HE LYS 35 2HE LYS 35 -12.517 0.569 0.039
210 2HE LYS 35 1HE LYS 35 -13.087 1.362 1.522
211 1HZ LYS 35 3HZ LYS 35 -10.992 2.568 -0.182
212 2HZ LYS 35 2HZ LYS 35 -12.640 2.852 -0.475
213 3HZ LYS 35 1HZ LYS 35 -11.945 3.318 1.003
214 H CYS 36 HN CAG 36 -7.678 -2.818 -2.221
215 HA CYS 36 HA CAG 36 -5.187 -1.218 -1.908
216 1HB CYS 36 2HB CAG 36 -5.673 -3.340 -0.431
217 2HB CYS 36 1HB CAG 36 -5.145 -4.174 -1.863
218 HA PRO 37 HA PRO 37 -5.638 -2.731 -6.137
219 1HB PRO 37 2HB PRO 37 -6.054 -0.258 -7.306
220 2HB PRO 37 1HB PRO 37 -7.363 -1.309 -6.732
221 1HG PRO 37 2HG PRO 37 -6.459 1.205 -5.632
222 2HG PRO 37 1HG PRO 37 -7.878 0.244 -5.205
223 1HD PRO 37 2HD PRO 37 -5.312 0.437 -3.853
224 2HD PRO 37 1HD PRO 37 -6.847 -0.257 -3.283
225 H CYS 38 HN CAG 38 -3.439 -2.428 -4.523
226 HA CYS 38 HA CAG 38 -1.485 -0.572 -5.666
227 1HB CYS 38 2HB CAG 38 -1.975 -1.742 -3.342
228 2HB CYS 38 1HB CAG 38 -0.827 -2.903 -3.965
229 H GLY 39 H GLY 39 -2.739 -2.994 -6.945
230 1HA GLY 39 2HA GLY 39 -0.432 -4.600 -7.788
231 2HA GLY 39 1HA GLY 39 -2.097 -4.853 -8.314
232 H ASN 40 HN ASN 40 -0.378 -1.760 -8.468
233 HA ASN 40 HA ASN 40 -1.032 -1.500 -11.308
234 1HB ASN 40 2HB ASN 40 -0.009 0.712 -10.982
235 2HB ASN 40 1HB ASN 40 -1.079 0.344 -9.629
236 1HD2 ASN 40 2HD2 ASN 40 1.544 0.198 -7.238
237 2HD2 ASN 40 1HD2 ASN 40 -0.097 -0.115 -7.539
Start of MODEL 5
1 1H GLN 1 2H GLN 1 -0.185 14.734 -5.088
2 2H GLN 1 1H GLN 1 -0.568 14.127 -6.628
3 3H GLN 1 3H GLN 1 -1.471 13.640 -5.278
4 HA GLN 1 HA GLN 1 0.084 11.893 -5.940
5 1HB GLN 1 2HB GLN 1 1.706 14.305 -6.147
6 2HB GLN 1 1HB GLN 1 2.536 13.052 -5.223
7 1HG GLN 1 2HG GLN 1 1.961 11.432 -7.082
8 2HG GLN 1 1HG GLN 1 1.401 12.817 -8.021
9 1HE2 GLN 1 2HE2 GLN 1 5.154 12.033 -8.493
10 2HE2 GLN 1 1HE2 GLN 1 3.844 10.962 -8.357
11 H ASN 2 H ASN 2 -1.326 11.747 -3.831
12 HA ASN 2 HA ASN 2 0.126 12.331 -1.332
13 1HB ASN 2 2HB ASN 2 -2.569 11.673 -2.249
14 2HB ASN 2 1HB ASN 2 -2.131 10.781 -0.792
15 1HD2 ASN 2 2HD2 ASN 2 -2.024 14.895 -0.548
16 2HD2 ASN 2 1HD2 ASN 2 -1.570 14.145 -2.001
17 H GLU 3 H GLU 3 1.493 10.476 -3.063
18 HA GLU 3 HA GLU 3 1.261 7.956 -1.437
19 1HB GLU 3 2HB GLU 3 1.960 6.802 -3.542
20 2HB GLU 3 1HB GLU 3 0.475 7.720 -3.793
21 1HG GLU 3 2HG GLU 3 1.531 8.713 -5.523
22 2HG GLU 3 1HG GLU 3 2.502 9.560 -4.318
23 H GLY 4 H GLY 4 2.873 10.264 -0.952
24 1HA GLY 4 2HA GLY 4 5.638 9.240 -1.454
25 2HA GLY 4 1HA GLY 4 5.253 10.897 -0.953
26 H HIS 5 H HIS 5 4.109 7.762 0.190
27 HA HIS 5 HA HIS 5 4.943 8.546 2.965
28 1HB HIS 5 2HB HIS 5 2.847 7.400 3.621
29 2HB HIS 5 1HB HIS 5 2.540 8.714 2.490
30 HD1 HIS 5 HD1 HIS 5 3.932 5.959 0.564
31 HD2 HIS 5 HD2 HIS 5 0.170 6.892 2.006
32 HE1 HIS 5 HE1 HIS 5 2.263 4.534 -0.710
33 H GLU 6 H GLU 6 4.535 6.395 4.370
34 HA GLU 6 HA GLU 6 6.366 4.349 3.249
35 1HB GLU 6 2HB GLU 6 5.112 4.841 5.967
36 2HB GLU 6 1HB GLU 6 6.178 3.480 5.615
37 1HG GLU 6 2HG GLU 6 7.974 5.023 4.978
38 2HG GLU 6 1HG GLU 6 6.915 6.401 5.279
39 H CYS 7 HN CNP 7 5.491 2.523 2.398
40 HA CYS 7 HA CNP 7 2.860 2.086 1.723
41 1HB CYS 7 2HB CNP 7 4.818 0.763 1.071
42 2HB CYS 7 1HB CNP 7 4.876 0.030 2.666
43 H GLN 8 H GLN 8 1.181 2.448 3.168
44 HA GLN 8 HA GLN 8 1.373 1.270 5.889
45 1HB GLN 8 2HB GLN 8 0.465 3.672 4.742
46 2HB GLN 8 1HB GLN 8 -0.990 2.827 5.284
47 1HG GLN 8 2HG GLN 8 -0.497 3.567 7.346
48 2HG GLN 8 1HG GLN 8 0.826 2.403 7.334
49 1HE2 GLN 8 2HE2 GLN 8 2.180 5.860 8.004
50 2HE2 GLN 8 1HE2 GLN 8 0.969 4.929 8.743
51 H CYS 9 HN CAG 9 0.768 -0.300 3.342
52 HA CYS 9 HA CAG 9 -2.063 -1.013 3.543
53 1HB CYS 9 2HB CAG 9 0.414 -1.990 2.142
54 2HB CYS 9 1HB CAG 9 -1.179 -2.706 1.845
55 H GLN 10 H GLN 10 -2.822 -2.538 5.008
56 HA GLN 10 HA GLN 10 -0.887 -4.107 6.601
57 1HB GLN 10 2HB GLN 10 -2.713 -3.006 7.745
58 2HB GLN 10 1HB GLN 10 -3.892 -3.682 6.620
59 1HG GLN 10 2HG GLN 10 -3.999 -5.637 7.741
60 2HG GLN 10 1HG GLN 10 -2.246 -5.731 7.903
61 1HE2 GLN 10 2HE2 GLN 10 -2.184 -4.156 11.109
62 2HE2 GLN 10 1HE2 GLN 10 -1.251 -4.551 9.746
63 H CYS 11 HN CNP 11 -1.798 -4.511 3.614
64 HA CYS 11 HA CNP 11 -3.106 -7.063 3.494
65 1HB CYS 11 2HB CNP 11 -1.374 -5.593 1.494
66 2HB CYS 11 1HB CNP 11 -2.672 -6.711 1.160
67 H GLY 12 H GLY 12 -1.586 -8.466 1.709
68 1HA GLY 12 2HA GLY 12 0.824 -9.212 3.302
69 2HA GLY 12 1HA GLY 12 -0.098 -10.346 2.311
70 H SER 13 H SER 13 -0.296 -7.983 0.304
71 HA SER 13 HA SER 13 2.113 -8.750 -1.217
72 1HB SER 13 2HB SER 13 -0.323 -7.024 -1.754
73 2HB SER 13 1HB SER 13 0.938 -7.313 -2.949
74 HG SER 13 HG SER 13 -0.682 -9.254 -1.648
75 H CYS 14 HN CAG 14 0.732 -5.871 0.355
76 HA CYS 14 HA CAG 14 2.961 -4.172 -0.469
77 1HB CYS 14 2HB CAG 14 0.685 -3.608 1.461
78 2HB CYS 14 1HB CAG 14 1.541 -2.513 0.425
79 H LYS 15 H LYS 15 1.421 -4.889 2.651
80 HA LYS 15 HA LYS 15 3.325 -4.036 4.443
81 1HB LYS 15 2HB LYS 15 1.923 -5.138 5.856
82 2HB LYS 15 1HB LYS 15 1.036 -5.616 4.413
83 1HG LYS 15 2HG LYS 15 2.210 -7.714 4.289
84 2HG LYS 15 1HG LYS 15 3.350 -7.217 5.539
85 1HD LYS 15 2HD LYS 15 0.813 -6.870 6.688
86 2HD LYS 15 1HD LYS 15 0.726 -8.411 5.838
87 1HE LYS 15 2HE LYS 15 1.793 -9.306 7.634
88 2HE LYS 15 1HE LYS 15 3.242 -8.447 7.078
89 1HZ LYS 15 1HZ LYS 15 2.473 -6.476 8.266
90 2HZ LYS 15 3HZ LYS 15 1.123 -7.327 8.838
91 3HZ LYS 15 2HZ LYS 15 2.684 -7.782 9.331
92 H ASN 16 H ASN 16 3.643 -6.798 2.276
93 HA ASN 16 HA ASN 16 6.220 -7.533 3.627
94 1HB ASN 16 2HB ASN 16 4.059 -8.989 2.172
95 2HB ASN 16 1HB ASN 16 5.698 -9.625 2.038
96 1HD2 ASN 16 2HD2 ASN 16 5.836 -9.925 5.765
97 2HD2 ASN 16 1HD2 ASN 16 6.723 -9.066 4.600
98 H ASN 17 H ASN 17 4.971 -7.931 0.283
99 HA ASN 17 HA ASN 17 7.424 -7.856 -1.066
100 1HB ASN 17 2HB ASN 17 4.775 -7.986 -1.715
101 2HB ASN 17 1HB ASN 17 5.185 -6.381 -2.323
102 1HD2 ASN 17 2HD2 ASN 17 5.956 -8.863 -5.017
103 2HD2 ASN 17 1HD2 ASN 17 4.552 -8.405 -4.179
104 H GLU 18 H GLU 18 8.943 -6.338 -0.417
105 HA GLU 18 HA GLU 18 8.277 -3.567 0.083
106 1HB GLU 18 2HB GLU 18 10.683 -3.363 0.399
107 2HB GLU 18 1HB GLU 18 10.149 -4.887 1.108
108 1HG GLU 18 2HG GLU 18 10.687 -5.503 -1.571
109 2HG GLU 18 1HG GLU 18 12.005 -4.437 -1.082
110 H GLN 19 H GLN 19 8.296 -5.206 -2.748
111 HA GLN 19 HA GLN 19 9.780 -3.368 -4.441
112 1HB GLN 19 2HB GLN 19 7.772 -5.578 -4.880
113 2HB GLN 19 1HB GLN 19 8.468 -4.676 -6.227
114 1HG GLN 19 2HG GLN 19 10.504 -5.576 -4.335
115 2HG GLN 19 1HG GLN 19 9.588 -6.919 -5.020
116 1HE2 GLN 19 2HE2 GLN 19 12.119 -6.513 -7.576
117 2HE2 GLN 19 1HE2 GLN 19 11.842 -7.299 -6.098
118 H CYS 20 HN CAG 20 6.742 -3.338 -3.001
119 HA CYS 20 HA CAG 20 5.829 -1.074 -4.702
120 1HB CYS 20 2HB CAG 20 3.640 -2.042 -4.530
121 2HB CYS 20 1HB CAG 20 4.735 -3.358 -4.932
122 H GLN 21 H GLN 21 6.968 -1.942 -1.717
123 HA GLN 21 HA GLN 21 5.074 -0.568 0.001
124 1HB GLN 21 2HB GLN 21 7.787 -1.823 0.222
125 2HB GLN 21 1HB GLN 21 7.174 -0.854 1.557
126 1HG GLN 21 2HG GLN 21 5.026 -2.290 1.340
127 2HG GLN 21 1HG GLN 21 6.039 -3.397 0.417
128 1HE2 GLN 21 2HE2 GLN 21 8.275 -3.424 3.536
129 2HE2 GLN 21 1HE2 GLN 21 8.474 -2.627 2.051
130 H LYS 22 H LYS 22 6.225 1.137 -2.227
131 HA LYS 22 HA LYS 22 7.205 3.299 -0.445
132 1HB LYS 22 2HB LYS 22 9.131 3.561 -2.175
133 2HB LYS 22 1HB LYS 22 9.255 2.335 -0.918
134 1HG LYS 22 2HG LYS 22 8.291 0.674 -2.560
135 2HG LYS 22 1HG LYS 22 8.432 1.919 -3.803
136 1HD LYS 22 2HD LYS 22 10.818 2.003 -3.569
137 2HD LYS 22 1HD LYS 22 10.771 1.018 -2.105
138 1HE LYS 22 2HE LYS 22 9.613 -0.760 -3.668
139 2HE LYS 22 1HE LYS 22 10.397 0.166 -4.964
140 1HZ LYS 22 1HZ LYS 22 12.369 0.072 -3.207
141 2HZ LYS 22 3HZ LYS 22 11.600 -1.387 -2.808
142 3HZ LYS 22 2HZ LYS 22 12.151 -1.125 -4.393
143 H SER 23 H SER 23 5.046 2.674 -2.760
144 HA SER 23 HA SER 23 5.072 5.483 -3.618
145 1HB SER 23 2HB SER 23 5.690 3.195 -5.489
146 2HB SER 23 1HB SER 23 5.187 4.781 -6.067
147 HG SER 23 HG SER 23 6.964 5.594 -4.711
148 H CYS 24 HN CNP 24 2.999 4.220 -2.265
149 HA CYS 24 HA CNP 24 0.911 3.931 -4.337
150 1HB CYS 24 2HB CNP 24 -0.200 2.941 -2.148
151 2HB CYS 24 1HB CNP 24 0.758 1.995 -3.222
152 H SER 25 H SER 25 -1.113 5.019 -3.964
153 HA SER 25 HA SER 25 -0.764 7.537 -2.447
154 1HB SER 25 2HB SER 25 -2.397 8.308 -3.886
155 2HB SER 25 1HB SER 25 -1.939 6.889 -4.825
156 HG SER 25 HG SER 25 -3.741 5.919 -4.245
157 H CYS 26 HN CAG 26 -1.365 4.569 -1.462
158 HA CYS 26 HA CAG 26 -3.832 4.527 -0.116
159 1HB CYS 26 2HB CAG 26 -1.044 3.474 0.434
160 2HB CYS 26 1HB CAG 26 -2.474 2.951 1.320
161 HA PRO 27 HA PRO 27 -2.903 8.038 2.555
162 1HB PRO 27 2HB PRO 27 -5.307 7.943 3.887
163 2HB PRO 27 1HB PRO 27 -5.105 8.722 2.304
164 1HG PRO 27 2HG PRO 27 -6.122 5.986 2.949
165 2HG PRO 27 1HG PRO 27 -6.756 7.178 1.799
166 1HD PRO 27 2HD PRO 27 -5.275 5.107 0.969
167 2HD PRO 27 1HD PRO 27 -5.121 6.711 0.210
168 H THR 28 H THR 28 -1.335 7.134 3.793
169 HA THR 28 HA THR 28 -0.907 4.994 5.238
170 HB THR 28 HB THR 28 0.165 6.532 6.992
171 HG1 THR 28 HG1 THR 28 -0.064 8.685 6.665
172 1HG2 THR 28 3HG2 THR 28 0.938 5.802 4.539
173 2HG2 THR 28 2HG2 THR 28 0.824 7.541 4.269
174 3HG2 THR 28 1HG2 THR 28 1.892 6.912 5.523
175 H GLY 29 H GLY 29 -3.051 4.455 5.417
176 1HA GLY 29 2HA GLY 29 -3.906 4.137 8.143
177 2HA GLY 29 1HA GLY 29 -5.068 5.033 7.156
178 H CYS 30 HN CAG 30 -3.729 3.250 4.777
179 HA CYS 30 HA CAG 30 -5.866 1.562 4.326
180 1HB CYS 30 2HB CAG 30 -3.720 2.199 3.043
181 2HB CYS 30 1HB CAG 30 -3.033 0.756 3.770
182 H ASN 31 H ASN 31 -6.636 0.510 6.152
183 HA ASN 31 HA ASN 31 -4.902 -1.641 7.333
184 1HB ASN 31 2HB ASN 31 -7.039 0.192 8.343
185 2HB ASN 31 1HB ASN 31 -7.002 -1.435 9.023
186 1HD2 ASN 31 2HD2 ASN 31 -4.250 1.257 10.207
187 2HD2 ASN 31 1HD2 ASN 31 -5.565 1.674 9.218
188 H SER 32 H SER 32 -8.378 -1.001 6.845
189 HA SER 32 HA SER 32 -8.791 -3.825 5.968
190 1HB SER 32 2HB SER 32 -11.243 -2.810 6.092
191 2HB SER 32 1HB SER 32 -10.389 -3.220 7.577
192 HG SER 32 HG SER 32 -10.499 -1.191 8.071
193 H ASP 33 H ASP 33 -7.861 -3.611 3.864
194 HA ASP 33 HA ASP 33 -9.567 -2.129 1.943
195 1HB ASP 33 2HB ASP 33 -6.624 -1.812 2.484
196 2HB ASP 33 1HB ASP 33 -7.286 -1.445 0.892
197 H ASP 34 H ASP 34 -10.152 -4.422 1.646
198 HA ASP 34 HA ASP 34 -8.216 -6.202 0.382
199 1HB ASP 34 2HB ASP 34 -9.845 -7.198 1.848
200 2HB ASP 34 1HB ASP 34 -11.165 -6.341 1.052
201 H LYS 35 H LYS 35 -8.930 -3.659 -0.764
202 HA LYS 35 HA LYS 35 -9.648 -4.544 -3.494
203 1HB LYS 35 2HB LYS 35 -11.502 -3.282 -2.223
204 2HB LYS 35 1HB LYS 35 -10.416 -1.892 -2.223
205 1HG LYS 35 2HG LYS 35 -10.407 -2.794 -4.873
206 2HG LYS 35 1HG LYS 35 -12.092 -2.910 -4.368
207 1HD LYS 35 2HD LYS 35 -11.290 -0.478 -3.306
208 2HD LYS 35 1HD LYS 35 -10.460 -0.527 -4.862
209 1HE LYS 35 2HE LYS 35 -12.402 -0.040 -5.914
210 2HE LYS 35 1HE LYS 35 -13.147 -1.496 -5.223
211 1HZ LYS 35 2HZ LYS 35 -12.696 0.783 -3.445
212 2HZ LYS 35 1HZ LYS 35 -13.974 0.907 -4.558
213 3HZ LYS 35 3HZ LYS 35 -13.949 -0.364 -3.435
214 H CYS 36 HN CAG 36 -7.253 -4.261 -2.008
215 HA CYS 36 HA CAG 36 -5.860 -2.047 -3.436
216 1HB CYS 36 2HB CAG 36 -6.026 -1.950 -0.899
217 2HB CYS 36 1HB CAG 36 -4.994 -3.377 -0.891
218 HA PRO 37 HA PRO 37 -3.751 -5.789 -4.645
219 1HB PRO 37 2HB PRO 37 -4.481 -5.597 -7.326
220 2HB PRO 37 1HB PRO 37 -5.410 -6.490 -6.108
221 1HG PRO 37 2HG PRO 37 -6.184 -4.099 -7.470
222 2HG PRO 37 1HG PRO 37 -7.072 -4.987 -6.226
223 1HD PRO 37 2HD PRO 37 -5.386 -2.582 -5.970
224 2HD PRO 37 1HD PRO 37 -6.762 -3.140 -4.982
225 H CYS 38 HN CAG 38 -2.929 -3.221 -4.010
226 HA CYS 38 HA CAG 38 -1.494 -1.818 -6.072
227 1HB CYS 38 2HB CAG 38 -2.013 -0.595 -4.257
228 2HB CYS 38 1HB CAG 38 -1.839 -1.921 -3.134
229 H GLY 39 H GLY 39 0.397 -2.024 -6.798
230 1HA GLY 39 2HA GLY 39 2.380 -3.865 -5.549
231 2HA GLY 39 1HA GLY 39 2.004 -4.043 -7.267
232 H ASN 40 HN ASN 40 1.669 -0.827 -6.408
233 HA ASN 40 HA ASN 40 4.513 -0.076 -6.672
234 1HB ASN 40 2HB ASN 40 4.081 1.099 -8.835
235 2HB ASN 40 1HB ASN 40 3.866 -0.648 -8.967
236 1HD2 ASN 40 2HD2 ASN 40 0.542 1.774 -9.098
237 2HD2 ASN 40 1HD2 ASN 40 1.965 2.355 -8.380
Start of MODEL 6
1 1H GLN 1 1H GLN 1 -1.491 11.584 -6.353
2 2H GLN 1 3H GLN 1 -1.635 10.833 -7.867
3 3H GLN 1 2H GLN 1 -1.873 9.931 -6.447
4 HA GLN 1 HA GLN 1 0.268 9.309 -7.013
5 1HB GLN 1 2HB GLN 1 1.781 10.891 -8.110
6 2HB GLN 1 1HB GLN 1 0.214 10.935 -8.919
7 1HG GLN 1 2HG GLN 1 -0.074 13.107 -8.398
8 2HG GLN 1 1HG GLN 1 0.276 12.799 -6.697
9 1HE2 GLN 1 2HE2 GLN 1 3.697 13.287 -8.893
10 2HE2 GLN 1 1HE2 GLN 1 2.550 12.125 -9.357
11 H ASN 2 H ASN 2 -0.969 10.488 -4.546
12 HA ASN 2 HA ASN 2 1.256 11.942 -3.245
13 1HB ASN 2 2HB ASN 2 -1.427 12.109 -3.075
14 2HB ASN 2 1HB ASN 2 -1.143 10.953 -1.774
15 1HD2 ASN 2 2HD2 ASN 2 -0.438 13.674 0.354
16 2HD2 ASN 2 1HD2 ASN 2 -1.366 12.280 0.075
17 H GLU 3 H GLU 3 1.792 9.199 -4.091
18 HA GLU 3 HA GLU 3 1.725 7.558 -1.612
19 1HB GLU 3 2HB GLU 3 2.647 5.857 -3.161
20 2HB GLU 3 1HB GLU 3 1.250 6.648 -3.892
21 1HG GLU 3 2HG GLU 3 3.629 8.152 -4.499
22 2HG GLU 3 1HG GLU 3 3.863 6.464 -4.959
23 H GLY 4 H GLY 4 3.252 9.967 -1.563
24 1HA GLY 4 2HA GLY 4 6.084 9.079 -1.664
25 2HA GLY 4 1HA GLY 4 5.532 10.723 -1.293
26 H HIS 5 H HIS 5 4.658 7.534 -0.022
27 HA HIS 5 HA HIS 5 5.325 8.527 2.734
28 1HB HIS 5 2HB HIS 5 3.179 7.527 3.419
29 2HB HIS 5 1HB HIS 5 2.922 8.706 2.138
30 HD1 HIS 5 HD1 HIS 5 4.314 5.809 0.499
31 HD2 HIS 5 HD2 HIS 5 0.527 6.782 1.864
32 HE1 HIS 5 HE1 HIS 5 2.698 4.190 -0.561
33 H GLU 6 H GLU 6 4.830 6.424 4.242
34 HA GLU 6 HA GLU 6 6.646 4.304 3.228
35 1HB GLU 6 2HB GLU 6 5.361 4.947 5.895
36 2HB GLU 6 1HB GLU 6 6.313 3.489 5.619
37 1HG GLU 6 2HG GLU 6 8.258 4.835 5.001
38 2HG GLU 6 1HG GLU 6 7.319 6.317 5.190
39 H CYS 7 HN CNP 7 5.708 2.474 2.381
40 HA CYS 7 HA CNP 7 2.990 2.216 1.815
41 1HB CYS 7 2HB CNP 7 5.009 0.886 1.031
42 2HB CYS 7 1HB CNP 7 4.818 -0.099 2.474
43 H GLN 8 H GLN 8 1.393 2.408 3.307
44 HA GLN 8 HA GLN 8 1.794 1.238 6.023
45 1HB GLN 8 2HB GLN 8 0.106 3.346 4.736
46 2HB GLN 8 1HB GLN 8 -0.501 2.587 6.209
47 1HG GLN 8 2HG GLN 8 2.341 3.327 6.348
48 2HG GLN 8 1HG GLN 8 1.260 4.705 6.144
49 1HE2 GLN 8 2HE2 GLN 8 1.125 4.446 9.728
50 2HE2 GLN 8 1HE2 GLN 8 1.946 5.219 8.459
51 H CYS 9 HN CAG 9 1.109 -0.375 3.524
52 HA CYS 9 HA CAG 9 -1.657 -1.196 3.752
53 1HB CYS 9 2HB CAG 9 0.888 -2.044 2.458
54 2HB CYS 9 1HB CAG 9 -0.440 -3.210 2.483
55 H GLN 10 H GLN 10 -2.503 -2.566 5.304
56 HA GLN 10 HA GLN 10 -0.663 -3.908 7.197
57 1HB GLN 10 2HB GLN 10 -3.189 -2.689 7.298
58 2HB GLN 10 1HB GLN 10 -3.521 -4.411 7.498
59 1HG GLN 10 2HG GLN 10 -1.694 -4.457 9.253
60 2HG GLN 10 1HG GLN 10 -1.658 -2.696 9.157
61 1HE2 GLN 10 2HE2 GLN 10 -4.064 -2.997 11.806
62 2HE2 GLN 10 1HE2 GLN 10 -2.410 -2.772 11.491
63 H CYS 11 HN CNP 11 -1.278 -4.690 4.247
64 HA CYS 11 HA CNP 11 -2.553 -7.291 4.396
65 1HB CYS 11 2HB CNP 11 -0.892 -6.090 2.183
66 2HB CYS 11 1HB CNP 11 -2.269 -7.151 2.063
67 H GLY 12 H GLY 12 -0.977 -8.710 2.669
68 1HA GLY 12 2HA GLY 12 1.515 -9.202 4.244
69 2HA GLY 12 1HA GLY 12 0.633 -10.464 3.377
70 H SER 13 H SER 13 0.188 -8.245 1.239
71 HA SER 13 HA SER 13 2.453 -9.015 -0.443
72 1HB SER 13 2HB SER 13 1.145 -8.029 -2.144
73 2HB SER 13 1HB SER 13 -0.066 -8.590 -0.995
74 HG SER 13 HG SER 13 -0.581 -6.590 -0.614
75 H CYS 14 HN CAG 14 1.340 -6.035 1.196
76 HA CYS 14 HA CAG 14 3.619 -4.501 0.197
77 1HB CYS 14 2HB CAG 14 1.365 -3.879 2.155
78 2HB CYS 14 1HB CAG 14 2.404 -2.757 1.350
79 H LYS 15 H LYS 15 2.262 -5.265 3.407
80 HA LYS 15 HA LYS 15 4.201 -4.425 5.150
81 1HB LYS 15 2HB LYS 15 2.740 -7.080 5.033
82 2HB LYS 15 1HB LYS 15 3.582 -6.495 6.467
83 1HG LYS 15 2HG LYS 15 2.138 -4.346 6.144
84 2HG LYS 15 1HG LYS 15 1.120 -5.381 5.143
85 1HD LYS 15 2HD LYS 15 0.222 -5.513 7.361
86 2HD LYS 15 1HD LYS 15 1.087 -7.024 7.088
87 1HE LYS 15 2HE LYS 15 1.669 -6.132 9.307
88 2HE LYS 15 1HE LYS 15 3.086 -6.025 8.245
89 1HZ LYS 15 1HZ LYS 15 1.240 -3.794 8.099
90 2HZ LYS 15 3HZ LYS 15 2.078 -3.932 9.567
91 3HZ LYS 15 2HZ LYS 15 2.940 -3.799 8.109
92 H ASN 16 H ASN 16 4.559 -7.068 2.834
93 HA ASN 16 HA ASN 16 7.249 -7.698 3.991
94 1HB ASN 16 2HB ASN 16 5.259 -9.216 2.291
95 2HB ASN 16 1HB ASN 16 6.893 -9.807 2.595
96 1HD2 ASN 16 2HD2 ASN 16 4.292 -9.583 5.784
97 2HD2 ASN 16 1HD2 ASN 16 4.092 -8.511 4.483
98 H ASN 17 H ASN 17 5.929 -8.154 0.709
99 HA ASN 17 HA ASN 17 8.298 -7.768 -0.722
100 1HB ASN 17 2HB ASN 17 5.777 -8.367 -1.339
101 2HB ASN 17 1HB ASN 17 5.739 -6.664 -1.804
102 1HD2 ASN 17 2HD2 ASN 17 6.978 -8.775 -4.696
103 2HD2 ASN 17 1HD2 ASN 17 5.593 -8.871 -3.718
104 H GLU 18 H GLU 18 9.660 -6.075 -0.343
105 HA GLU 18 HA GLU 18 8.651 -3.361 0.141
106 1HB GLU 18 2HB GLU 18 11.303 -4.778 0.004
107 2HB GLU 18 1HB GLU 18 11.261 -3.014 -0.009
108 1HG GLU 18 2HG GLU 18 9.571 -3.458 2.036
109 2HG GLU 18 1HG GLU 18 10.562 -4.910 2.176
110 H GLN 19 H GLN 19 8.698 -5.114 -2.569
111 HA GLN 19 HA GLN 19 10.090 -3.310 -4.393
112 1HB GLN 19 2HB GLN 19 9.197 -5.936 -4.380
113 2HB GLN 19 1HB GLN 19 8.110 -5.144 -5.519
114 1HG GLN 19 2HG GLN 19 9.854 -4.523 -6.954
115 2HG GLN 19 1HG GLN 19 11.075 -4.670 -5.689
116 1HE2 GLN 19 2HE2 GLN 19 11.870 -7.889 -6.868
117 2HE2 GLN 19 1HE2 GLN 19 12.423 -6.362 -6.376
118 H CYS 20 HN CAG 20 7.068 -3.367 -2.934
119 HA CYS 20 HA CAG 20 5.997 -1.337 -4.828
120 1HB CYS 20 2HB CAG 20 3.901 -2.456 -4.630
121 2HB CYS 20 1HB CAG 20 5.090 -3.731 -4.838
122 H GLN 21 H GLN 21 7.160 -1.861 -1.767
123 HA GLN 21 HA GLN 21 5.157 -0.345 -0.253
124 1HB GLN 21 2HB GLN 21 7.771 -1.725 0.239
125 2HB GLN 21 1HB GLN 21 7.153 -0.604 1.450
126 1HG GLN 21 2HG GLN 21 4.906 -2.051 0.905
127 2HG GLN 21 1HG GLN 21 6.154 -3.276 0.676
128 1HE2 GLN 21 2HE2 GLN 21 7.214 -3.185 4.117
129 2HE2 GLN 21 1HE2 GLN 21 7.784 -3.463 2.544
130 H LYS 22 H LYS 22 6.442 1.115 -2.523
131 HA LYS 22 HA LYS 22 7.523 3.345 -0.880
132 1HB LYS 22 2HB LYS 22 8.951 2.210 -3.291
133 2HB LYS 22 1HB LYS 22 9.540 3.475 -2.211
134 1HG LYS 22 2HG LYS 22 9.410 1.815 -0.320
135 2HG LYS 22 1HG LYS 22 9.042 0.569 -1.513
136 1HD LYS 22 2HD LYS 22 11.318 0.317 -1.516
137 2HD LYS 22 1HD LYS 22 11.235 1.655 -2.661
138 1HE LYS 22 2HE LYS 22 12.223 3.097 -1.201
139 2HE LYS 22 1HE LYS 22 11.235 2.522 0.157
140 1HZ LYS 22 3HZ LYS 22 12.593 0.421 0.030
141 2HZ LYS 22 2HZ LYS 22 13.660 1.261 -0.992
142 3HZ LYS 22 1HZ LYS 22 13.417 1.789 0.605
143 H SER 23 H SER 23 5.293 2.585 -3.158
144 HA SER 23 HA SER 23 5.164 5.376 -4.011
145 1HB SER 23 2HB SER 23 6.550 3.401 -5.570
146 2HB SER 23 1HB SER 23 5.143 3.951 -6.474
147 HG SER 23 HG SER 23 6.751 5.833 -5.157
148 H CYS 24 HN CNP 24 3.368 3.601 -2.685
149 HA CYS 24 HA CNP 24 1.152 3.277 -4.612
150 1HB CYS 24 2HB CNP 24 0.576 1.545 -3.213
151 2HB CYS 24 1HB CNP 24 2.297 1.537 -3.013
152 H SER 25 H SER 25 -0.470 4.789 -4.518
153 HA SER 25 HA SER 25 -0.267 7.009 -2.662
154 1HB SER 25 2HB SER 25 -1.104 7.081 -5.021
155 2HB SER 25 1HB SER 25 -2.527 6.178 -4.513
156 HG SER 25 HG SER 25 -3.181 7.879 -3.308
157 H CYS 26 HN CAG 26 -1.021 4.098 -1.662
158 HA CYS 26 HA CAG 26 -3.600 4.077 -0.582
159 1HB CYS 26 2HB CAG 26 -0.852 3.110 0.110
160 2HB CYS 26 1HB CAG 26 -2.134 2.920 1.306
161 HA PRO 27 HA PRO 27 -3.153 7.736 1.994
162 1HB PRO 27 2HB PRO 27 -5.695 7.655 3.017
163 2HB PRO 27 1HB PRO 27 -5.334 8.311 1.407
164 1HG PRO 27 2HG PRO 27 -6.378 5.621 2.163
165 2HG PRO 27 1HG PRO 27 -6.854 6.676 0.822
166 1HD PRO 27 2HD PRO 27 -5.224 4.542 0.482
167 2HD PRO 27 1HD PRO 27 -5.083 6.018 -0.501
168 H THR 28 H THR 28 -1.696 6.817 3.404
169 HA THR 28 HA THR 28 -1.489 4.740 4.973
170 HB THR 28 HB THR 28 -0.539 6.303 6.764
171 HG1 THR 28 HG1 THR 28 -0.823 8.405 6.510
172 1HG2 THR 28 2HG2 THR 28 0.563 5.447 4.586
173 2HG2 THR 28 1HG2 THR 28 0.279 7.074 3.970
174 3HG2 THR 28 3HG2 THR 28 1.301 6.833 5.387
175 H GLY 29 H GLY 29 -3.614 4.230 4.944
176 1HA GLY 29 2HA GLY 29 -4.812 4.083 7.558
177 2HA GLY 29 1HA GLY 29 -5.830 4.914 6.373
178 H CYS 30 HN CAG 30 -4.272 3.019 4.273
179 HA CYS 30 HA CAG 30 -6.325 1.252 3.703
180 1HB CYS 30 2HB CAG 30 -4.099 1.810 2.538
181 2HB CYS 30 1HB CAG 30 -3.398 0.536 3.533
182 H ASN 31 H ASN 31 -7.283 -0.270 4.953
183 HA ASN 31 HA ASN 31 -5.584 -2.087 6.593
184 1HB ASN 31 2HB ASN 31 -7.101 0.106 7.575
185 2HB ASN 31 1HB ASN 31 -7.966 -1.358 8.042
186 1HD2 ASN 31 2HD2 ASN 31 -4.222 -0.667 9.580
187 2HD2 ASN 31 1HD2 ASN 31 -4.728 0.182 8.200
188 H SER 32 H SER 32 -7.644 -1.947 4.165
189 HA SER 32 HA SER 32 -9.266 -4.310 5.058
190 1HB SER 32 2HB SER 32 -9.892 -2.179 2.989
191 2HB SER 32 1HB SER 32 -10.967 -3.480 3.489
192 HG SER 32 HG SER 32 -10.043 -1.250 4.961
193 H ASP 33 H ASP 33 -9.925 -5.669 3.053
194 HA ASP 33 HA ASP 33 -7.472 -6.177 1.452
195 1HB ASP 33 2HB ASP 33 -9.765 -7.669 2.527
196 2HB ASP 33 1HB ASP 33 -9.352 -8.125 0.874
197 H ASP 34 H ASP 34 -10.931 -5.438 1.029
198 HA ASP 34 HA ASP 34 -10.574 -5.293 -1.890
199 1HB ASP 34 2HB ASP 34 -13.008 -4.876 -0.126
200 2HB ASP 34 1HB ASP 34 -13.035 -5.032 -1.883
201 H LYS 35 H LYS 35 -9.316 -3.484 -0.056
202 HA LYS 35 HA LYS 35 -10.226 -0.957 -1.298
203 1HB LYS 35 2HB LYS 35 -10.945 -1.360 1.189
204 2HB LYS 35 1HB LYS 35 -9.240 -1.104 1.556
205 1HG LYS 35 2HG LYS 35 -10.042 1.070 1.740
206 2HG LYS 35 1HG LYS 35 -9.561 1.043 0.043
207 1HD LYS 35 2HD LYS 35 -12.249 0.007 0.341
208 2HD LYS 35 1HD LYS 35 -12.123 1.611 1.066
209 1HE LYS 35 2HE LYS 35 -11.272 2.556 -0.997
210 2HE LYS 35 1HE LYS 35 -11.143 0.946 -1.732
211 1HZ LYS 35 2HZ LYS 35 -13.556 0.674 -1.288
212 2HZ LYS 35 1HZ LYS 35 -13.623 2.308 -0.828
213 3HZ LYS 35 3HZ LYS 35 -13.209 1.892 -2.419
214 H CYS 36 HN CAG 36 -8.237 -2.982 -1.773
215 HA CYS 36 HA CAG 36 -5.771 -1.293 -1.659
216 1HB CYS 36 2HB CAG 36 -6.078 -3.328 -0.061
217 2HB CYS 36 1HB CAG 36 -5.755 -4.258 -1.504
218 HA PRO 37 HA PRO 37 -6.445 -3.124 -5.757
219 1HB PRO 37 2HB PRO 37 -7.225 -0.847 -7.105
220 2HB PRO 37 1HB PRO 37 -8.370 -1.961 -6.335
221 1HG PRO 37 2HG PRO 37 -7.601 0.724 -5.524
222 2HG PRO 37 1HG PRO 37 -8.961 -0.266 -4.987
223 1HD PRO 37 2HD PRO 37 -6.454 0.225 -3.654
224 2HD PRO 37 1HD PRO 37 -7.880 -0.658 -3.065
225 H CYS 38 HN CAG 38 -4.254 -2.208 -4.230
226 HA CYS 38 HA CAG 38 -2.653 -0.378 -5.906
227 1HB CYS 38 2HB CAG 38 -2.492 -0.093 -3.634
228 2HB CYS 38 1HB CAG 38 -2.447 -1.806 -3.279
229 H GLY 39 H GLY 39 -1.032 -0.871 -7.045
230 1HA GLY 39 2HA GLY 39 -0.060 -3.679 -7.268
231 2HA GLY 39 1HA GLY 39 -0.509 -2.798 -8.734
232 H ASN 40 HN ASN 40 0.639 -0.601 -6.493
233 HA ASN 40 HA ASN 40 3.515 -0.959 -7.088
234 1HB ASN 40 2HB ASN 40 3.478 1.374 -8.193
235 2HB ASN 40 1HB ASN 40 2.836 0.033 -9.142
236 1HD2 ASN 40 2HD2 ASN 40 0.366 3.047 -7.996
237 2HD2 ASN 40 1HD2 ASN 40 2.006 3.041 -7.557
Start of MODEL 7
1 1H GLN 1 2H GLN 1 -4.744 9.015 -1.033
2 2H GLN 1 1H GLN 1 -5.813 10.196 -0.441
3 3H GLN 1 3H GLN 1 -5.513 10.084 -2.107
4 HA GLN 1 HA GLN 1 -4.288 11.953 -1.207
5 1HB GLN 1 2HB GLN 1 -3.881 9.879 0.840
6 2HB GLN 1 1HB GLN 1 -2.421 10.798 0.470
7 1HG GLN 1 2HG GLN 1 -4.238 12.813 0.592
8 2HG GLN 1 1HG GLN 1 -4.934 11.690 1.760
9 1HE2 GLN 1 2HE2 GLN 1 -1.584 11.740 3.531
10 2HE2 GLN 1 1HE2 GLN 1 -2.398 10.538 2.651
11 H ASN 2 H ASN 2 -1.636 11.978 -1.246
12 HA ASN 2 HA ASN 2 -0.911 10.855 -3.823
13 1HB ASN 2 2HB ASN 2 -0.155 12.992 -2.394
14 2HB ASN 2 1HB ASN 2 1.109 11.879 -1.869
15 1HD2 ASN 2 2HD2 ASN 2 0.989 13.034 -5.814
16 2HD2 ASN 2 1HD2 ASN 2 -0.409 13.179 -4.862
17 H GLU 3 H GLU 3 1.205 9.539 -3.999
18 HA GLU 3 HA GLU 3 1.191 7.389 -1.894
19 1HB GLU 3 2HB GLU 3 2.000 5.980 -3.835
20 2HB GLU 3 1HB GLU 3 0.413 6.690 -4.125
21 1HG GLU 3 2HG GLU 3 2.573 8.469 -4.952
22 2HG GLU 3 1HG GLU 3 2.628 6.920 -5.794
23 H GLY 4 H GLY 4 2.710 9.805 -1.767
24 1HA GLY 4 2HA GLY 4 5.510 8.866 -2.217
25 2HA GLY 4 1HA GLY 4 5.048 10.538 -1.852
26 H HIS 5 H HIS 5 4.112 7.457 -0.404
27 HA HIS 5 HA HIS 5 4.999 8.518 2.262
28 1HB HIS 5 2HB HIS 5 2.958 7.403 3.105
29 2HB HIS 5 1HB HIS 5 2.569 8.577 1.853
30 HD1 HIS 5 HD1 HIS 5 3.971 5.706 0.145
31 HD2 HIS 5 HD2 HIS 5 0.234 6.602 1.686
32 HE1 HIS 5 HE1 HIS 5 2.322 4.087 -0.882
33 H GLU 6 H GLU 6 4.778 6.504 3.878
34 HA GLU 6 HA GLU 6 6.584 4.402 2.818
35 1HB GLU 6 2HB GLU 6 5.511 5.121 5.565
36 2HB GLU 6 1HB GLU 6 6.598 3.763 5.264
37 1HG GLU 6 2HG GLU 6 8.388 5.126 5.224
38 2HG GLU 6 1HG GLU 6 7.627 6.157 4.011
39 H CYS 7 HN CNP 7 5.704 2.442 2.241
40 HA CYS 7 HA CNP 7 3.057 1.904 1.763
41 1HB CYS 7 2HB CNP 7 4.967 0.486 1.183
42 2HB CYS 7 1HB CNP 7 5.139 -0.010 2.859
43 H GLN 8 H GLN 8 1.368 2.296 3.158
44 HA GLN 8 HA GLN 8 1.730 1.614 6.043
45 1HB GLN 8 2HB GLN 8 0.033 3.410 4.380
46 2HB GLN 8 1HB GLN 8 -0.679 2.808 5.878
47 1HG GLN 8 2HG GLN 8 2.074 4.062 5.769
48 2HG GLN 8 1HG GLN 8 0.612 4.996 6.082
49 1HE2 GLN 8 2HE2 GLN 8 2.057 3.832 9.358
50 2HE2 GLN 8 1HE2 GLN 8 2.677 4.735 8.062
51 H CYS 9 HN CAG 9 1.215 -0.397 3.764
52 HA CYS 9 HA CAG 9 -1.487 -1.389 4.411
53 1HB CYS 9 2HB CAG 9 0.810 -2.249 2.651
54 2HB CYS 9 1HB CAG 9 -0.805 -2.972 2.592
55 H GLN 10 H GLN 10 -1.697 -2.737 6.196
56 HA GLN 10 HA GLN 10 0.704 -3.995 7.375
57 1HB GLN 10 2HB GLN 10 -2.106 -3.365 8.116
58 2HB GLN 10 1HB GLN 10 -1.401 -4.781 8.896
59 1HG GLN 10 2HG GLN 10 0.221 -3.541 9.997
60 2HG GLN 10 1HG GLN 10 0.215 -2.261 8.783
61 1HE2 GLN 10 2HE2 GLN 10 -2.974 -0.941 10.155
62 2HE2 GLN 10 1HE2 GLN 10 -2.421 -1.478 8.642
63 H CYS 11 HN CNP 11 -0.610 -4.907 4.742
64 HA CYS 11 HA CNP 11 -1.569 -7.590 5.390
65 1HB CYS 11 2HB CNP 11 -0.994 -6.581 2.641
66 2HB CYS 11 1HB CNP 11 -2.340 -7.506 3.227
67 H GLY 12 H GLY 12 -0.506 -9.402 4.211
68 1HA GLY 12 2HA GLY 12 2.385 -9.327 4.535
69 2HA GLY 12 1HA GLY 12 1.449 -10.714 3.975
70 H SER 13 H SER 13 0.219 -8.574 2.026
71 HA SER 13 HA SER 13 1.947 -9.272 -0.220
72 1HB SER 13 2HB SER 13 -0.250 -9.135 -0.890
73 2HB SER 13 1HB SER 13 -0.647 -7.926 0.328
74 HG SER 13 HG SER 13 0.296 -7.634 -2.260
75 H CYS 14 HN CAG 14 1.200 -6.287 1.606
76 HA CYS 14 HA CAG 14 3.182 -4.783 0.036
77 1HB CYS 14 2HB CAG 14 1.269 -3.917 2.239
78 2HB CYS 14 1HB CAG 14 2.014 -2.961 1.004
79 H LYS 15 H LYS 15 2.289 -5.115 3.460
80 HA LYS 15 HA LYS 15 4.347 -3.991 4.828
81 1HB LYS 15 2HB LYS 15 3.687 -5.379 6.581
82 2HB LYS 15 1HB LYS 15 2.331 -5.585 5.481
83 1HG LYS 15 2HG LYS 15 3.373 -7.640 4.582
84 2HG LYS 15 1HG LYS 15 4.732 -7.429 5.684
85 1HD LYS 15 2HD LYS 15 2.581 -7.254 7.391
86 2HD LYS 15 1HD LYS 15 2.034 -8.461 6.227
87 1HE LYS 15 2HE LYS 15 4.833 -8.704 7.267
88 2HE LYS 15 1HE LYS 15 3.496 -9.190 8.329
89 1HZ LYS 15 3HZ LYS 15 2.584 -10.474 6.446
90 2HZ LYS 15 2HZ LYS 15 3.979 -10.114 5.545
91 3HZ LYS 15 1HZ LYS 15 4.094 -11.052 6.958
92 H ASN 16 H ASN 16 4.675 -6.909 2.852
93 HA ASN 16 HA ASN 16 7.544 -7.103 3.704
94 1HB ASN 16 2HB ASN 16 5.441 -8.962 3.552
95 2HB ASN 16 1HB ASN 16 6.496 -9.348 2.192
96 1HD2 ASN 16 2HD2 ASN 16 7.813 -11.121 5.218
97 2HD2 ASN 16 1HD2 ASN 16 6.351 -11.155 4.357
98 H ASN 17 H ASN 17 5.489 -7.577 0.781
99 HA ASN 17 HA ASN 17 7.488 -7.746 -1.178
100 1HB ASN 17 2HB ASN 17 4.954 -7.900 -1.379
101 2HB ASN 17 1HB ASN 17 4.939 -6.137 -1.425
102 1HD2 ASN 17 2HD2 ASN 17 5.119 -6.922 -4.965
103 2HD2 ASN 17 1HD2 ASN 17 3.987 -6.771 -3.710
104 H GLU 18 H GLU 18 9.242 -6.444 -1.284
105 HA GLU 18 HA GLU 18 9.129 -3.616 -0.557
106 1HB GLU 18 2HB GLU 18 11.218 -5.467 -1.732
107 2HB GLU 18 1HB GLU 18 11.545 -3.778 -1.341
108 1HG GLU 18 2HG GLU 18 10.244 -4.923 0.914
109 2HG GLU 18 1HG GLU 18 11.520 -6.040 0.426
110 H GLN 19 H GLN 19 7.916 -5.146 -3.150
111 HA GLN 19 HA GLN 19 8.998 -3.361 -5.236
112 1HB GLN 19 2HB GLN 19 7.633 -5.898 -5.039
113 2HB GLN 19 1HB GLN 19 6.814 -4.853 -6.200
114 1HG GLN 19 2HG GLN 19 9.811 -5.201 -6.242
115 2HG GLN 19 1HG GLN 19 8.742 -6.318 -7.092
116 1HE2 GLN 19 2HE2 GLN 19 9.611 -3.597 -9.488
117 2HE2 GLN 19 1HE2 GLN 19 10.477 -4.799 -8.658
118 H CYS 20 HN CAG 20 6.341 -3.575 -3.151
119 HA CYS 20 HA CAG 20 5.035 -1.227 -4.442
120 1HB CYS 20 2HB CAG 20 2.963 -2.305 -4.006
121 2HB CYS 20 1HB CAG 20 4.007 -3.582 -4.605
122 H GLN 21 H GLN 21 6.892 -2.040 -1.922
123 HA GLN 21 HA GLN 21 5.314 -0.995 0.312
124 1HB GLN 21 2HB GLN 21 7.741 -2.465 -0.200
125 2HB GLN 21 1HB GLN 21 8.065 -1.155 0.934
126 1HG GLN 21 2HG GLN 21 5.574 -2.327 1.672
127 2HG GLN 21 1HG GLN 21 6.729 -3.639 1.432
128 1HE2 GLN 21 2HE2 GLN 21 8.994 -2.264 3.979
129 2HE2 GLN 21 1HE2 GLN 21 9.085 -2.858 2.391
130 H LYS 22 H LYS 22 6.152 0.818 -2.136
131 HA LYS 22 HA LYS 22 6.854 3.108 -0.422
132 1HB LYS 22 2HB LYS 22 8.937 3.539 -1.750
133 2HB LYS 22 1HB LYS 22 8.999 2.093 -0.743
134 1HG LYS 22 2HG LYS 22 8.534 0.674 -2.646
135 2HG LYS 22 1HG LYS 22 8.254 2.078 -3.676
136 1HD LYS 22 2HD LYS 22 10.831 2.291 -2.382
137 2HD LYS 22 1HD LYS 22 10.707 0.756 -3.243
138 1HE LYS 22 2HE LYS 22 10.548 1.775 -5.312
139 2HE LYS 22 1HE LYS 22 9.734 3.210 -4.656
140 1HZ LYS 22 2HZ LYS 22 12.531 2.516 -3.969
141 2HZ LYS 22 1HZ LYS 22 12.147 3.509 -5.293
142 3HZ LYS 22 3HZ LYS 22 11.728 3.993 -3.723
143 H SER 23 H SER 23 5.053 2.090 -2.909
144 HA SER 23 HA SER 23 4.942 4.840 -4.020
145 1HB SER 23 2HB SER 23 5.702 2.332 -5.484
146 2HB SER 23 1HB SER 23 4.904 3.637 -6.356
147 HG SER 23 HG SER 23 7.239 3.752 -6.319
148 H CYS 24 HN CNP 24 2.965 3.666 -2.441
149 HA CYS 24 HA CNP 24 0.816 3.115 -4.388
150 1HB CYS 24 2HB CNP 24 -0.178 2.300 -2.074
151 2HB CYS 24 1HB CNP 24 0.779 1.289 -3.086
152 H SER 25 H SER 25 -1.163 4.263 -4.149
153 HA SER 25 HA SER 25 -0.851 6.861 -2.761
154 1HB SER 25 2HB SER 25 -2.782 7.468 -4.066
155 2HB SER 25 1HB SER 25 -1.798 6.456 -5.119
156 HG SER 25 HG SER 25 -3.673 5.454 -5.278
157 H CYS 26 HN CAG 26 -1.376 4.013 -1.547
158 HA CYS 26 HA CAG 26 -3.861 3.816 -0.327
159 1HB CYS 26 2HB CAG 26 -0.996 3.205 0.338
160 2HB CYS 26 1HB CAG 26 -2.250 2.869 1.520
161 HA PRO 27 HA PRO 27 -3.664 7.644 2.032
162 1HB PRO 27 2HB PRO 27 -6.143 7.342 3.178
163 2HB PRO 27 1HB PRO 27 -5.918 7.984 1.537
164 1HG PRO 27 2HG PRO 27 -6.642 5.221 2.403
165 2HG PRO 27 1HG PRO 27 -7.295 6.188 1.069
166 1HD PRO 27 2HD PRO 27 -5.480 4.238 0.660
167 2HD PRO 27 1HD PRO 27 -5.507 5.721 -0.323
168 H THR 28 H THR 28 -2.032 6.773 3.300
169 HA THR 28 HA THR 28 -1.585 4.778 4.898
170 HB THR 28 HB THR 28 -0.511 6.405 6.524
171 HG1 THR 28 HG1 THR 28 -2.398 7.942 5.808
172 1HG2 THR 28 2HG2 THR 28 0.172 5.698 4.017
173 2HG2 THR 28 1HG2 THR 28 0.012 7.438 3.784
174 3HG2 THR 28 3HG2 THR 28 1.144 6.809 4.981
175 H GLY 29 H GLY 29 -3.751 4.221 5.055
176 1HA GLY 29 2HA GLY 29 -4.636 4.004 7.783
177 2HA GLY 29 1HA GLY 29 -5.796 4.847 6.748
178 H CYS 30 HN CAG 30 -4.282 2.882 4.554
179 HA CYS 30 HA CAG 30 -6.292 1.245 3.817
180 1HB CYS 30 2HB CAG 30 -3.930 1.443 2.953
181 2HB CYS 30 1HB CAG 30 -3.447 0.298 4.202
182 H ASN 31 H ASN 31 -7.615 -0.138 4.851
183 HA ASN 31 HA ASN 31 -6.508 -2.057 6.835
184 1HB ASN 31 2HB ASN 31 -8.025 0.330 7.420
185 2HB ASN 31 1HB ASN 31 -8.969 -1.089 7.874
186 1HD2 ASN 31 2HD2 ASN 31 -5.769 -0.037 10.104
187 2HD2 ASN 31 1HD2 ASN 31 -6.314 0.914 8.807
188 H SER 32 H SER 32 -7.993 -1.778 4.048
189 HA SER 32 HA SER 32 -10.037 -3.907 4.606
190 1HB SER 32 2HB SER 32 -10.216 -1.291 3.405
191 2HB SER 32 1HB SER 32 -10.625 -2.513 2.204
192 HG SER 32 HG SER 32 -12.491 -2.229 3.253
193 H ASP 33 H ASP 33 -10.542 -5.020 2.331
194 HA ASP 33 HA ASP 33 -7.897 -5.825 1.203
195 1HB ASP 33 2HB ASP 33 -10.626 -7.076 1.484
196 2HB ASP 33 1HB ASP 33 -9.457 -7.737 0.341
197 H ASP 34 H ASP 34 -11.123 -4.668 0.283
198 HA ASP 34 HA ASP 34 -10.346 -4.590 -2.559
199 1HB ASP 34 2HB ASP 34 -12.694 -4.179 -2.952
200 2HB ASP 34 1HB ASP 34 -12.613 -5.394 -1.675
201 H LYS 35 H LYS 35 -9.151 -2.959 -0.529
202 HA LYS 35 HA LYS 35 -9.522 -0.332 -1.841
203 1HB LYS 35 2HB LYS 35 -10.293 -1.018 0.805
204 2HB LYS 35 1HB LYS 35 -8.803 -0.088 0.965
205 1HG LYS 35 2HG LYS 35 -9.853 1.622 -0.612
206 2HG LYS 35 1HG LYS 35 -11.373 0.755 -0.390
207 1HD LYS 35 2HD LYS 35 -11.608 1.443 1.790
208 2HD LYS 35 1HD LYS 35 -9.867 1.472 2.077
209 1HE LYS 35 2HE LYS 35 -10.781 3.451 0.082
210 2HE LYS 35 1HE LYS 35 -11.391 3.728 1.726
211 1HZ LYS 35 2HZ LYS 35 -8.609 2.896 1.470
212 2HZ LYS 35 1HZ LYS 35 -8.969 4.482 0.977
213 3HZ LYS 35 3HZ LYS 35 -9.317 3.988 2.562
214 H CYS 36 HN CAG 36 -7.783 -2.575 -2.137
215 HA CYS 36 HA CAG 36 -5.163 -1.273 -1.551
216 1HB CYS 36 2HB CAG 36 -6.059 -3.312 -0.152
217 2HB CYS 36 1HB CAG 36 -5.503 -4.216 -1.531
218 HA PRO 37 HA PRO 37 -5.346 -2.758 -5.812
219 1HB PRO 37 2HB PRO 37 -5.357 -0.267 -7.013
220 2HB PRO 37 1HB PRO 37 -6.827 -1.160 -6.582
221 1HG PRO 37 2HG PRO 37 -5.769 1.250 -5.388
222 2HG PRO 37 1HG PRO 37 -7.324 0.458 -5.115
223 1HD PRO 37 2HD PRO 37 -4.913 0.377 -3.496
224 2HD PRO 37 1HD PRO 37 -6.568 -0.141 -3.098
225 H CYS 38 HN CAG 38 -3.300 -2.703 -3.988
226 HA CYS 38 HA CAG 38 -1.057 -1.063 -4.899
227 1HB CYS 38 2HB CAG 38 -1.893 -2.207 -2.666
228 2HB CYS 38 1HB CAG 38 -0.816 -3.472 -3.206
229 H GLY 39 H GLY 39 -2.420 -3.330 -6.357
230 1HA GLY 39 2HA GLY 39 -0.238 -5.177 -6.985
231 2HA GLY 39 1HA GLY 39 -1.831 -5.186 -7.743
232 H ASN 40 HN ASN 40 0.297 -2.346 -7.542
233 HA ASN 40 HA ASN 40 0.283 -2.236 -10.521
234 1HB ASN 40 2HB ASN 40 0.784 0.120 -10.153
235 2HB ASN 40 1HB ASN 40 -0.533 -0.340 -9.073
236 1HD2 ASN 40 2HD2 ASN 40 1.326 0.261 -6.129
237 2HD2 ASN 40 1HD2 ASN 40 -0.148 -0.242 -6.804
Start of MODEL 8
1 1H GLN 1 3H GLN 1 0.855 12.501 1.438
2 2H GLN 1 2H GLN 1 0.361 13.793 0.453
3 3H GLN 1 1H GLN 1 0.010 13.806 2.116
4 HA GLN 1 HA GLN 1 -1.530 12.003 1.893
5 1HB GLN 1 2HB GLN 1 -1.867 14.036 -0.336
6 2HB GLN 1 1HB GLN 1 -3.156 13.207 0.538
7 1HG GLN 1 2HG GLN 1 -1.748 14.303 2.606
8 2HG GLN 1 1HG GLN 1 -1.517 15.524 1.356
9 1HE2 GLN 1 2HE2 GLN 1 -4.652 16.659 2.746
10 2HE2 GLN 1 1HE2 GLN 1 -2.974 16.811 2.946
11 H ASN 2 H ASN 2 0.159 12.756 -1.155
12 HA ASN 2 HA ASN 2 -1.009 10.710 -2.767
13 1HB ASN 2 2HB ASN 2 0.601 12.767 -3.220
14 2HB ASN 2 1HB ASN 2 1.861 11.546 -3.032
15 1HD2 ASN 2 2HD2 ASN 2 1.191 11.271 -6.584
16 2HD2 ASN 2 1HD2 ASN 2 2.113 12.172 -5.480
17 H GLU 3 H GLU 3 1.746 9.561 -3.467
18 HA GLU 3 HA GLU 3 1.746 7.453 -1.332
19 1HB GLU 3 2HB GLU 3 2.563 5.996 -3.115
20 2HB GLU 3 1HB GLU 3 1.170 6.881 -3.739
21 1HG GLU 3 2HG GLU 3 3.537 8.443 -4.175
22 2HG GLU 3 1HG GLU 3 3.801 6.815 -4.802
23 H GLY 4 H GLY 4 3.126 9.983 -1.224
24 1HA GLY 4 2HA GLY 4 5.996 9.199 -1.417
25 2HA GLY 4 1HA GLY 4 5.405 10.836 -1.069
26 H HIS 5 H HIS 5 4.570 7.674 0.243
27 HA HIS 5 HA HIS 5 5.203 8.696 2.995
28 1HB HIS 5 2HB HIS 5 3.076 7.665 3.651
29 2HB HIS 5 1HB HIS 5 2.803 8.781 2.317
30 HD1 HIS 5 HD1 HIS 5 4.321 5.926 0.754
31 HD2 HIS 5 HD2 HIS 5 0.498 6.710 2.133
32 HE1 HIS 5 HE1 HIS 5 2.803 4.154 -0.207
33 H GLU 6 H GLU 6 4.815 6.626 4.529
34 HA GLU 6 HA GLU 6 6.642 4.519 3.507
35 1HB GLU 6 2HB GLU 6 6.509 3.748 5.881
36 2HB GLU 6 1HB GLU 6 7.059 5.417 5.742
37 1HG GLU 6 2HG GLU 6 4.218 5.475 5.857
38 2HG GLU 6 1HG GLU 6 4.770 4.407 7.146
39 H CYS 7 HN CNP 7 5.684 2.756 2.621
40 HA CYS 7 HA CNP 7 2.963 2.399 2.181
41 1HB CYS 7 2HB CNP 7 4.903 1.110 1.246
42 2HB CYS 7 1HB CNP 7 4.958 0.183 2.739
43 H GLN 8 H GLN 8 1.317 2.344 3.672
44 HA GLN 8 HA GLN 8 1.936 1.005 6.302
45 1HB GLN 8 2HB GLN 8 0.524 3.502 5.493
46 2HB GLN 8 1HB GLN 8 -0.095 2.643 6.906
47 1HG GLN 8 2HG GLN 8 2.501 2.548 7.523
48 2HG GLN 8 1HG GLN 8 2.538 3.997 6.517
49 1HE2 GLN 8 2HE2 GLN 8 1.574 5.816 9.388
50 2HE2 GLN 8 1HE2 GLN 8 2.741 5.584 8.177
51 H CYS 9 HN CAG 9 0.872 -0.381 3.952
52 HA CYS 9 HA CAG 9 -1.973 -0.868 4.710
53 1HB CYS 9 2HB CAG 9 -0.240 -1.817 2.434
54 2HB CYS 9 1HB CAG 9 -1.992 -1.999 2.522
55 H GLN 10 H GLN 10 -2.611 -2.953 5.455
56 HA GLN 10 HA GLN 10 -0.385 -4.682 6.408
57 1HB GLN 10 2HB GLN 10 -2.813 -3.741 7.454
58 2HB GLN 10 1HB GLN 10 -3.090 -5.456 7.148
59 1HG GLN 10 2HG GLN 10 -1.036 -6.013 8.403
60 2HG GLN 10 1HG GLN 10 -0.765 -4.298 8.715
61 1HE2 GLN 10 2HE2 GLN 10 -3.524 -4.069 11.051
62 2HE2 GLN 10 1HE2 GLN 10 -2.719 -3.167 9.860
63 H CYS 11 HN CNP 11 -1.473 -4.617 3.519
64 HA CYS 11 HA CNP 11 -2.813 -7.160 3.157
65 1HB CYS 11 2HB CNP 11 -1.412 -5.519 1.061
66 2HB CYS 11 1HB CNP 11 -2.883 -6.434 0.940
67 H GLY 12 H GLY 12 -1.758 -8.695 1.543
68 1HA GLY 12 2HA GLY 12 0.872 -9.479 2.501
69 2HA GLY 12 1HA GLY 12 -0.044 -10.290 1.227
70 H SER 13 H SER 13 -0.242 -7.270 0.200
71 HA SER 13 HA SER 13 2.043 -7.559 -1.650
72 1HB SER 13 2HB SER 13 -0.606 -6.544 -1.695
73 2HB SER 13 1HB SER 13 0.456 -5.165 -1.960
74 HG SER 13 HG SER 13 1.444 -7.125 -3.388
75 H CYS 14 HN CAG 14 0.941 -5.397 0.956
76 HA CYS 14 HA CAG 14 3.273 -3.643 0.575
77 1HB CYS 14 2HB CAG 14 0.771 -3.671 2.288
78 2HB CYS 14 1HB CAG 14 1.960 -2.411 2.322
79 H LYS 15 H LYS 15 1.685 -5.512 3.158
80 HA LYS 15 HA LYS 15 3.369 -5.255 5.295
81 1HB LYS 15 2HB LYS 15 2.443 -7.291 6.025
82 2HB LYS 15 1HB LYS 15 1.282 -6.745 4.823
83 1HG LYS 15 2HG LYS 15 2.220 -8.219 3.151
84 2HG LYS 15 1HG LYS 15 3.560 -8.646 4.218
85 1HD LYS 15 2HD LYS 15 0.640 -9.205 4.814
86 2HD LYS 15 1HD LYS 15 1.782 -10.394 4.187
87 1HE LYS 15 2HE LYS 15 2.919 -9.072 6.501
88 2HE LYS 15 1HE LYS 15 1.336 -9.768 6.902
89 1HZ LYS 15 2HZ LYS 15 2.145 -11.764 5.550
90 2HZ LYS 15 1HZ LYS 15 3.702 -11.116 5.755
91 3HZ LYS 15 3HZ LYS 15 2.784 -11.562 7.110
92 H ASN 16 H ASN 16 4.090 -7.344 2.442
93 HA ASN 16 HA ASN 16 6.884 -7.521 3.524
94 1HB ASN 16 2HB ASN 16 6.802 -9.846 2.349
95 2HB ASN 16 1HB ASN 16 5.987 -9.656 3.900
96 1HD2 ASN 16 2HD2 ASN 16 2.915 -10.658 2.527
97 2HD2 ASN 16 1HD2 ASN 16 3.946 -10.591 3.875
98 H ASN 17 H ASN 17 4.879 -7.579 0.554
99 HA ASN 17 HA ASN 17 7.068 -7.652 -1.305
100 1HB ASN 17 2HB ASN 17 4.221 -7.440 -1.280
101 2HB ASN 17 1HB ASN 17 4.843 -6.145 -2.303
102 1HD2 ASN 17 2HD2 ASN 17 5.898 -9.982 -3.378
103 2HD2 ASN 17 1HD2 ASN 17 5.817 -9.585 -1.729
104 H GLU 18 H GLU 18 8.701 -6.158 -0.846
105 HA GLU 18 HA GLU 18 8.080 -3.380 -0.204
106 1HB GLU 18 2HB GLU 18 10.566 -3.193 -0.260
107 2HB GLU 18 1HB GLU 18 10.025 -4.552 0.723
108 1HG GLU 18 2HG GLU 18 10.283 -5.434 -1.995
109 2HG GLU 18 1HG GLU 18 11.772 -4.615 -1.521
110 H GLN 19 H GLN 19 7.690 -4.949 -3.005
111 HA GLN 19 HA GLN 19 9.110 -3.210 -4.847
112 1HB GLN 19 2HB GLN 19 8.084 -5.669 -5.020
113 2HB GLN 19 1HB GLN 19 6.693 -4.770 -5.629
114 1HG GLN 19 2HG GLN 19 8.590 -3.560 -7.073
115 2HG GLN 19 1HG GLN 19 9.406 -5.104 -6.826
116 1HE2 GLN 19 2HE2 GLN 19 6.164 -6.600 -8.287
117 2HE2 GLN 19 1HE2 GLN 19 6.659 -6.474 -6.668
118 H CYS 20 HN CAG 20 6.136 -3.138 -3.214
119 HA CYS 20 HA CAG 20 5.277 -0.712 -4.724
120 1HB CYS 20 2HB CAG 20 3.045 -1.532 -4.422
121 2HB CYS 20 1HB CAG 20 4.013 -2.900 -4.949
122 H GLN 21 H GLN 21 6.698 -1.572 -1.929
123 HA GLN 21 HA GLN 21 5.008 -0.107 -0.011
124 1HB GLN 21 2HB GLN 21 7.592 -1.635 -0.011
125 2HB GLN 21 1HB GLN 21 7.185 -0.622 1.370
126 1HG GLN 21 2HG GLN 21 5.039 -1.818 1.617
127 2HG GLN 21 1HG GLN 21 5.456 -2.844 0.242
128 1HE2 GLN 21 2HE2 GLN 21 7.630 -3.315 3.712
129 2HE2 GLN 21 1HE2 GLN 21 6.986 -1.788 3.348
130 H LYS 22 H LYS 22 6.349 1.309 -2.419
131 HA LYS 22 HA LYS 22 7.610 3.446 -0.772
132 1HB LYS 22 2HB LYS 22 9.459 3.531 -2.468
133 2HB LYS 22 1HB LYS 22 9.416 2.035 -1.535
134 1HG LYS 22 2HG LYS 22 7.722 1.533 -3.692
135 2HG LYS 22 1HG LYS 22 9.064 2.432 -4.402
136 1HD LYS 22 2HD LYS 22 9.702 0.244 -2.463
137 2HD LYS 22 1HD LYS 22 9.202 -0.205 -4.095
138 1HE LYS 22 2HE LYS 22 10.972 1.578 -4.857
139 2HE LYS 22 1HE LYS 22 11.639 1.338 -3.231
140 1HZ LYS 22 1HZ LYS 22 11.627 -1.051 -3.618
141 2HZ LYS 22 3HZ LYS 22 11.019 -0.816 -5.184
142 3HZ LYS 22 2HZ LYS 22 12.575 -0.262 -4.788
143 H SER 23 H SER 23 5.324 2.760 -3.036
144 HA SER 23 HA SER 23 5.135 5.584 -3.768
145 1HB SER 23 2HB SER 23 6.359 3.564 -5.502
146 2HB SER 23 1HB SER 23 5.068 4.456 -6.302
147 HG SER 23 HG SER 23 6.247 6.343 -5.218
148 H CYS 24 HN CNP 24 3.410 3.713 -2.473
149 HA CYS 24 HA CNP 24 1.160 3.424 -4.359
150 1HB CYS 24 2HB CNP 24 0.629 1.649 -2.998
151 2HB CYS 24 1HB CNP 24 2.352 1.660 -2.819
152 H SER 25 H SER 25 -0.400 4.971 -4.239
153 HA SER 25 HA SER 25 -0.209 7.172 -2.403
154 1HB SER 25 2HB SER 25 -2.287 7.871 -3.513
155 2HB SER 25 1HB SER 25 -1.162 7.217 -4.700
156 HG SER 25 HG SER 25 -3.548 6.472 -4.506
157 H CYS 26 HN CAG 26 -1.015 4.176 -1.428
158 HA CYS 26 HA CAG 26 -3.489 4.321 -0.139
159 1HB CYS 26 2HB CAG 26 -0.769 3.138 0.394
160 2HB CYS 26 1HB CAG 26 -2.097 2.898 1.538
161 HA PRO 27 HA PRO 27 -2.415 7.908 2.400
162 1HB PRO 27 2HB PRO 27 -4.931 8.162 3.480
163 2HB PRO 27 1HB PRO 27 -4.494 8.816 1.887
164 1HG PRO 27 2HG PRO 27 -5.881 6.257 2.565
165 2HG PRO 27 1HG PRO 27 -6.256 7.435 1.295
166 1HD PRO 27 2HD PRO 27 -4.952 5.156 0.744
167 2HD PRO 27 1HD PRO 27 -4.561 6.675 -0.097
168 H THR 28 H THR 28 -1.089 6.887 3.832
169 HA THR 28 HA THR 28 -1.079 4.775 5.385
170 HB THR 28 HB THR 28 -0.117 6.362 7.250
171 HG1 THR 28 HG1 THR 28 -1.036 8.265 6.692
172 1HG2 THR 28 2HG2 THR 28 0.794 5.486 4.653
173 2HG2 THR 28 1HG2 THR 28 1.554 7.018 5.083
174 3HG2 THR 28 3HG2 THR 28 1.702 5.628 6.158
175 H GLY 29 H GLY 29 -3.254 4.479 5.350
176 1HA GLY 29 2HA GLY 29 -4.442 4.422 7.967
177 2HA GLY 29 1HA GLY 29 -5.378 5.377 6.809
178 H CYS 30 HN CAG 30 -4.042 3.364 4.653
179 HA CYS 30 HA CAG 30 -6.334 1.826 4.175
180 1HB CYS 30 2HB CAG 30 -4.197 2.292 2.837
181 2HB CYS 30 1HB CAG 30 -3.518 0.890 3.657
182 H ASN 31 H ASN 31 -7.220 0.777 5.915
183 HA ASN 31 HA ASN 31 -5.594 -1.383 7.229
184 1HB ASN 31 2HB ASN 31 -7.486 0.666 8.149
185 2HB ASN 31 1HB ASN 31 -7.914 -0.949 8.717
186 1HD2 ASN 31 2HD2 ASN 31 -4.204 0.484 9.805
187 2HD2 ASN 31 1HD2 ASN 31 -4.827 0.894 8.281
188 H SER 32 H SER 32 -9.064 -0.703 6.722
189 HA SER 32 HA SER 32 -9.518 -3.532 5.914
190 1HB SER 32 2HB SER 32 -11.778 -1.675 5.822
191 2HB SER 32 1HB SER 32 -11.579 -3.127 6.800
192 HG SER 32 HG SER 32 -11.703 -1.212 8.066
193 H ASP 33 H ASP 33 -8.405 -3.400 3.875
194 HA ASP 33 HA ASP 33 -10.007 -2.090 1.755
195 1HB ASP 33 2HB ASP 33 -7.005 -1.807 2.052
196 2HB ASP 33 1HB ASP 33 -8.035 -1.000 0.869
197 H ASP 34 H ASP 34 -10.474 -4.434 1.541
198 HA ASP 34 HA ASP 34 -8.360 -6.166 0.543
199 1HB ASP 34 2HB ASP 34 -10.044 -7.869 0.605
200 2HB ASP 34 1HB ASP 34 -10.389 -6.828 1.987
201 H LYS 35 H LYS 35 -9.263 -3.700 -0.775
202 HA LYS 35 HA LYS 35 -9.728 -4.770 -3.509
203 1HB LYS 35 2HB LYS 35 -10.878 -2.516 -1.952
204 2HB LYS 35 1HB LYS 35 -10.381 -2.089 -3.589
205 1HG LYS 35 2HG LYS 35 -12.310 -2.979 -4.331
206 2HG LYS 35 1HG LYS 35 -11.701 -4.559 -3.838
207 1HD LYS 35 2HD LYS 35 -13.923 -4.022 -2.827
208 2HD LYS 35 1HD LYS 35 -12.667 -4.286 -1.616
209 1HE LYS 35 2HE LYS 35 -12.465 -1.560 -2.146
210 2HE LYS 35 1HE LYS 35 -14.214 -1.863 -2.161
211 1HZ LYS 35 2HZ LYS 35 -12.540 -3.136 -0.103
212 2HZ LYS 35 1HZ LYS 35 -13.000 -1.512 0.096
213 3HZ LYS 35 3HZ LYS 35 -14.185 -2.717 -0.042
214 H CYS 36 HN CAG 36 -7.395 -4.634 -1.971
215 HA CYS 36 HA CAG 36 -5.759 -2.514 -3.302
216 1HB CYS 36 2HB CAG 36 -6.008 -2.535 -0.756
217 2HB CYS 36 1HB CAG 36 -5.110 -4.049 -0.818
218 HA PRO 37 HA PRO 37 -3.843 -6.361 -4.553
219 1HB PRO 37 2HB PRO 37 -4.629 -6.232 -7.217
220 2HB PRO 37 1HB PRO 37 -5.584 -7.036 -5.954
221 1HG PRO 37 2HG PRO 37 -6.260 -4.654 -7.388
222 2HG PRO 37 1HG PRO 37 -7.175 -5.459 -6.106
223 1HD PRO 37 2HD PRO 37 -5.341 -3.146 -5.936
224 2HD PRO 37 1HD PRO 37 -6.745 -3.576 -4.932
225 H CYS 38 HN CAG 38 -3.090 -3.700 -4.049
226 HA CYS 38 HA CAG 38 -1.594 -2.542 -6.262
227 1HB CYS 38 2HB CAG 38 -2.390 -1.042 -4.810
228 2HB CYS 38 1HB CAG 38 -2.300 -2.101 -3.432
229 H GLY 39 H GLY 39 0.299 -2.840 -6.799
230 1HA GLY 39 2HA GLY 39 2.412 -3.853 -5.027
231 2HA GLY 39 1HA GLY 39 2.008 -4.909 -6.383
232 H ASN 40 HN ASN 40 1.509 -1.575 -7.002
233 HA ASN 40 HA ASN 40 3.667 -1.596 -8.998
234 1HB ASN 40 2HB ASN 40 2.547 0.278 -9.841
235 2HB ASN 40 1HB ASN 40 1.237 -0.577 -9.032
236 1HD2 ASN 40 2HD2 ASN 40 1.116 1.802 -6.292
237 2HD2 ASN 40 1HD2 ASN 40 0.952 0.142 -6.599
Start of MODEL 9
1 1H GLN 1 3H GLN 1 1.958 13.306 -5.232
2 2H GLN 1 2H GLN 1 1.971 11.942 -6.245
3 3H GLN 1 1H GLN 1 1.028 13.296 -6.651
4 HA GLN 1 HA GLN 1 -0.652 12.732 -5.266
5 1HB GLN 1 2HB GLN 1 0.511 10.682 -6.659
6 2HB GLN 1 1HB GLN 1 0.487 10.012 -5.027
7 1HG GLN 1 2HG GLN 1 -1.874 10.254 -4.848
8 2HG GLN 1 1HG GLN 1 -1.949 11.305 -6.263
9 1HE2 GLN 1 2HE2 GLN 1 -1.765 8.605 -8.606
10 2HE2 GLN 1 1HE2 GLN 1 -1.487 10.268 -8.408
11 H ASN 2 H ASN 2 -1.149 11.179 -3.190
12 HA ASN 2 HA ASN 2 0.528 12.287 -1.029
13 1HB ASN 2 2HB ASN 2 -2.080 10.788 -1.265
14 2HB ASN 2 1HB ASN 2 -1.329 11.058 0.308
15 1HD2 ASN 2 2HD2 ASN 2 -3.500 13.981 -0.100
16 2HD2 ASN 2 1HD2 ASN 2 -3.638 12.331 0.270
17 H GLU 3 H GLU 3 1.371 9.939 -2.904
18 HA GLU 3 HA GLU 3 1.651 7.748 -0.916
19 1HB GLU 3 2HB GLU 3 2.423 6.491 -2.845
20 2HB GLU 3 1HB GLU 3 1.052 7.452 -3.393
21 1HG GLU 3 2HG GLU 3 3.306 9.110 -3.690
22 2HG GLU 3 1HG GLU 3 3.797 7.527 -4.296
23 H GLY 4 H GLY 4 2.974 10.231 -0.443
24 1HA GLY 4 2HA GLY 4 5.854 9.594 -0.875
25 2HA GLY 4 1HA GLY 4 5.228 11.143 -0.275
26 H HIS 5 H HIS 5 4.444 7.842 0.664
27 HA HIS 5 HA HIS 5 5.288 8.480 3.472
28 1HB HIS 5 2HB HIS 5 3.201 7.338 4.106
29 2HB HIS 5 1HB HIS 5 2.855 8.652 2.985
30 HD1 HIS 5 HD1 HIS 5 4.271 5.984 0.983
31 HD2 HIS 5 HD2 HIS 5 0.501 6.745 2.508
32 HE1 HIS 5 HE1 HIS 5 2.692 4.373 -0.139
33 H GLU 6 H GLU 6 4.938 6.182 4.713
34 HA GLU 6 HA GLU 6 6.699 4.241 3.304
35 1HB GLU 6 2HB GLU 6 5.629 4.517 6.130
36 2HB GLU 6 1HB GLU 6 6.580 3.131 5.593
37 1HG GLU 6 2HG GLU 6 8.478 4.511 5.103
38 2HG GLU 6 1HG GLU 6 7.538 5.987 5.321
39 H CYS 7 HN CNP 7 5.688 2.459 2.345
40 HA CYS 7 HA CNP 7 2.931 2.285 1.937
41 1HB CYS 7 2HB CNP 7 4.328 0.904 0.646
42 2HB CYS 7 1HB CNP 7 5.137 0.232 2.055
43 H GLN 8 H GLN 8 1.373 2.281 3.497
44 HA GLN 8 HA GLN 8 1.940 0.859 6.067
45 1HB GLN 8 2HB GLN 8 1.549 3.240 6.230
46 2HB GLN 8 1HB GLN 8 0.098 3.114 5.236
47 1HG GLN 8 2HG GLN 8 -1.173 2.327 6.952
48 2HG GLN 8 1HG GLN 8 0.156 1.394 7.643
49 1HE2 GLN 8 2HE2 GLN 8 1.492 4.366 9.353
50 2HE2 GLN 8 1HE2 GLN 8 2.070 3.115 8.363
51 H CYS 9 HN CAG 9 0.899 -0.431 3.540
52 HA CYS 9 HA CAG 9 -1.935 -0.949 3.942
53 1HB CYS 9 2HB CAG 9 0.368 -2.048 2.361
54 2HB CYS 9 1HB CAG 9 -1.243 -2.765 2.226
55 H GLN 10 H GLN 10 -2.800 -2.583 5.253
56 HA GLN 10 HA GLN 10 -0.919 -4.175 6.891
57 1HB GLN 10 2HB GLN 10 -3.927 -3.777 6.834
58 2HB GLN 10 1HB GLN 10 -3.112 -4.823 7.997
59 1HG GLN 10 2HG GLN 10 -2.215 -1.972 7.650
60 2HG GLN 10 1HG GLN 10 -3.608 -2.345 8.666
61 1HE2 GLN 10 2HE2 GLN 10 -0.916 -2.574 11.088
62 2HE2 GLN 10 1HE2 GLN 10 -1.934 -1.430 10.354
63 H CYS 11 HN CNP 11 -1.704 -4.563 3.877
64 HA CYS 11 HA CNP 11 -3.011 -7.114 3.687
65 1HB CYS 11 2HB CNP 11 -1.170 -5.630 1.795
66 2HB CYS 11 1HB CNP 11 -2.426 -6.767 1.377
67 H GLY 12 H GLY 12 -1.407 -8.526 1.986
68 1HA GLY 12 2HA GLY 12 0.911 -9.286 3.710
69 2HA GLY 12 1HA GLY 12 0.051 -10.407 2.651
70 H SER 13 H SER 13 -0.047 -8.090 0.622
71 HA SER 13 HA SER 13 2.511 -8.783 -0.687
72 1HB SER 13 2HB SER 13 -0.054 -8.450 -1.547
73 2HB SER 13 1HB SER 13 0.606 -6.854 -1.895
74 HG SER 13 HG SER 13 2.452 -8.330 -2.745
75 H CYS 14 HN CAG 14 0.879 -5.961 0.734
76 HA CYS 14 HA CAG 14 3.030 -4.147 -0.042
77 1HB CYS 14 2HB CAG 14 0.628 -3.745 1.767
78 2HB CYS 14 1HB CAG 14 1.496 -2.566 0.849
79 H LYS 15 H LYS 15 1.452 -5.012 3.019
80 HA LYS 15 HA LYS 15 3.153 -3.992 4.903
81 1HB LYS 15 2HB LYS 15 2.088 -5.487 6.316
82 2HB LYS 15 1HB LYS 15 1.062 -5.662 4.899
83 1HG LYS 15 2HG LYS 15 2.003 -7.734 4.315
84 2HG LYS 15 1HG LYS 15 3.466 -7.453 5.253
85 1HD LYS 15 2HD LYS 15 1.130 -7.334 6.960
86 2HD LYS 15 1HD LYS 15 1.194 -8.869 6.090
87 1HE LYS 15 2HE LYS 15 3.361 -9.389 6.954
88 2HE LYS 15 1HE LYS 15 3.608 -7.730 7.528
89 1HZ LYS 15 2HZ LYS 15 1.174 -8.711 8.552
90 2HZ LYS 15 1HZ LYS 15 2.396 -9.837 8.900
91 3HZ LYS 15 3HZ LYS 15 2.560 -8.227 9.407
92 H ASN 16 H ASN 16 3.931 -6.669 2.729
93 HA ASN 16 HA ASN 16 6.612 -6.879 4.071
94 1HB ASN 16 2HB ASN 16 4.647 -8.787 3.774
95 2HB ASN 16 1HB ASN 16 5.702 -9.122 2.400
96 1HD2 ASN 16 2HD2 ASN 16 6.884 -10.696 5.738
97 2HD2 ASN 16 1HD2 ASN 16 5.302 -10.523 5.149
98 H ASN 17 H ASN 17 5.276 -7.904 0.894
99 HA ASN 17 HA ASN 17 7.626 -7.684 -0.611
100 1HB ASN 17 2HB ASN 17 4.882 -8.080 -1.025
101 2HB ASN 17 1HB ASN 17 5.294 -6.705 -2.049
102 1HD2 ASN 17 2HD2 ASN 17 6.597 -10.409 -3.055
103 2HD2 ASN 17 1HD2 ASN 17 5.633 -10.152 -1.681
104 H GLU 18 H GLU 18 8.976 -5.955 -0.457
105 HA GLU 18 HA GLU 18 8.013 -3.217 -0.204
106 1HB GLU 18 2HB GLU 18 10.630 -4.665 -0.445
107 2HB GLU 18 1HB GLU 18 10.600 -2.912 -0.636
108 1HG GLU 18 2HG GLU 18 9.173 -2.994 1.581
109 2HG GLU 18 1HG GLU 18 9.947 -4.567 1.783
110 H GLN 19 H GLN 19 7.922 -5.235 -2.761
111 HA GLN 19 HA GLN 19 9.125 -3.678 -4.861
112 1HB GLN 19 2HB GLN 19 7.624 -6.104 -4.502
113 2HB GLN 19 1HB GLN 19 6.954 -5.198 -5.859
114 1HG GLN 19 2HG GLN 19 9.682 -4.956 -6.252
115 2HG GLN 19 1HG GLN 19 9.517 -6.604 -5.645
116 1HE2 GLN 19 2HE2 GLN 19 7.188 -7.433 -8.407
117 2HE2 GLN 19 1HE2 GLN 19 7.165 -7.514 -6.711
118 H CYS 20 HN CAG 20 6.151 -3.585 -3.221
119 HA CYS 20 HA CAG 20 5.061 -1.475 -5.027
120 1HB CYS 20 2HB CAG 20 2.912 -2.188 -3.993
121 2HB CYS 20 1HB CAG 20 3.781 -3.544 -4.715
122 H GLN 21 H GLN 21 6.876 -1.657 -2.325
123 HA GLN 21 HA GLN 21 5.422 0.337 -0.681
124 1HB GLN 21 2HB GLN 21 7.973 -1.271 -0.516
125 2HB GLN 21 1HB GLN 21 7.681 0.059 0.606
126 1HG GLN 21 2HG GLN 21 5.289 -1.258 0.725
127 2HG GLN 21 1HG GLN 21 6.400 -2.600 0.465
128 1HE2 GLN 21 2HE2 GLN 21 6.183 -1.790 4.157
129 2HE2 GLN 21 1HE2 GLN 21 5.004 -2.125 2.983
130 H LYS 22 H LYS 22 6.384 0.913 -3.481
131 HA LYS 22 HA LYS 22 8.628 2.753 -3.132
132 1HB LYS 22 2HB LYS 22 7.140 1.439 -5.304
133 2HB LYS 22 1HB LYS 22 7.841 3.010 -5.695
134 1HG LYS 22 2HG LYS 22 10.047 2.267 -5.074
135 2HG LYS 22 1HG LYS 22 9.411 0.764 -4.406
136 1HD LYS 22 2HD LYS 22 9.760 -0.167 -6.428
137 2HD LYS 22 1HD LYS 22 8.434 0.832 -7.026
138 1HE LYS 22 2HE LYS 22 11.281 1.859 -6.852
139 2HE LYS 22 1HE LYS 22 10.622 1.090 -8.311
140 1HZ LYS 22 1HZ LYS 22 9.326 3.353 -6.886
141 2HZ LYS 22 3HZ LYS 22 10.305 3.538 -8.259
142 3HZ LYS 22 2HZ LYS 22 8.847 2.671 -8.367
143 H SER 23 H SER 23 5.427 3.048 -4.499
144 HA SER 23 HA SER 23 5.152 5.723 -3.240
145 1HB SER 23 2HB SER 23 5.731 5.172 -6.101
146 2HB SER 23 1HB SER 23 4.578 6.459 -5.761
147 HG SER 23 HG SER 23 6.318 7.075 -4.131
148 H CYS 24 HN CNP 24 3.430 3.712 -2.584
149 HA CYS 24 HA CNP 24 1.041 3.812 -4.274
150 1HB CYS 24 2HB CNP 24 0.524 1.958 -3.019
151 2HB CYS 24 1HB CNP 24 2.250 1.949 -2.843
152 H SER 25 H SER 25 -0.475 5.396 -4.005
153 HA SER 25 HA SER 25 -0.152 7.445 -1.988
154 1HB SER 25 2HB SER 25 -1.105 8.166 -3.985
155 2HB SER 25 1HB SER 25 -2.119 6.733 -4.139
156 HG SER 25 HG SER 25 -2.859 9.034 -3.242
157 H CYS 26 HN CAG 26 -1.030 4.443 -1.241
158 HA CYS 26 HA CAG 26 -3.529 4.526 0.016
159 1HB CYS 26 2HB CAG 26 -0.834 3.273 0.480
160 2HB CYS 26 1HB CAG 26 -2.152 2.988 1.619
161 HA PRO 27 HA PRO 27 -2.520 7.890 2.837
162 1HB PRO 27 2HB PRO 27 -5.004 7.980 4.000
163 2HB PRO 27 1HB PRO 27 -4.641 8.756 2.444
164 1HG PRO 27 2HG PRO 27 -5.932 6.119 2.985
165 2HG PRO 27 1HG PRO 27 -6.370 7.363 1.801
166 1HD PRO 27 2HD PRO 27 -5.013 5.152 1.092
167 2HD PRO 27 1HD PRO 27 -4.713 6.724 0.315
168 H THR 28 H THR 28 -1.119 6.778 4.133
169 HA THR 28 HA THR 28 -1.028 4.567 5.533
170 HB THR 28 HB THR 28 0.043 5.963 7.434
171 HG1 THR 28 HG1 THR 28 -1.312 7.808 6.899
172 1HG2 THR 28 3HG2 THR 28 0.834 5.274 4.844
173 2HG2 THR 28 2HG2 THR 28 1.303 6.967 5.015
174 3HG2 THR 28 1HG2 THR 28 1.894 5.767 6.165
175 H GLY 29 H GLY 29 -3.191 4.232 5.551
176 1HA GLY 29 2HA GLY 29 -4.299 3.998 8.199
177 2HA GLY 29 1HA GLY 29 -5.285 4.990 7.115
178 H CYS 30 HN CAG 30 -3.966 3.126 4.822
179 HA CYS 30 HA CAG 30 -6.197 1.585 4.249
180 1HB CYS 30 2HB CAG 30 -3.988 2.023 3.031
181 2HB CYS 30 1HB CAG 30 -3.370 0.612 3.880
182 H ASN 31 H ASN 31 -7.191 0.520 5.929
183 HA ASN 31 HA ASN 31 -5.642 -1.620 7.359
184 1HB ASN 31 2HB ASN 31 -8.065 0.070 8.042
185 2HB ASN 31 1HB ASN 31 -7.649 -1.375 8.967
186 1HD2 ASN 31 2HD2 ASN 31 -4.482 0.134 10.084
187 2HD2 ASN 31 1HD2 ASN 31 -5.007 -1.325 9.394
188 H SER 32 H SER 32 -9.015 -0.929 6.436
189 HA SER 32 HA SER 32 -9.386 -3.785 5.641
190 1HB SER 32 2HB SER 32 -11.802 -2.458 5.395
191 2HB SER 32 1HB SER 32 -11.271 -3.304 6.844
192 HG SER 32 HG SER 32 -11.041 -0.553 6.207
193 H ASP 33 H ASP 33 -8.286 -3.714 3.624
194 HA ASP 33 HA ASP 33 -9.719 -2.199 1.510
195 1HB ASP 33 2HB ASP 33 -6.791 -2.127 2.236
196 2HB ASP 33 1HB ASP 33 -7.370 -1.636 0.645
197 H ASP 34 H ASP 34 -10.428 -4.498 1.261
198 HA ASP 34 HA ASP 34 -8.484 -6.364 0.113
199 1HB ASP 34 2HB ASP 34 -10.785 -6.650 1.586
200 2HB ASP 34 1HB ASP 34 -11.383 -6.947 -0.048
201 H LYS 35 H LYS 35 -9.132 -3.825 -1.066
202 HA LYS 35 HA LYS 35 -9.734 -4.714 -3.815
203 1HB LYS 35 2HB LYS 35 -11.731 -3.568 -2.875
204 2HB LYS 35 1HB LYS 35 -10.720 -2.209 -2.382
205 1HG LYS 35 2HG LYS 35 -10.122 -2.518 -5.080
206 2HG LYS 35 1HG LYS 35 -11.859 -2.815 -5.004
207 1HD LYS 35 2HD LYS 35 -10.852 -0.506 -3.423
208 2HD LYS 35 1HD LYS 35 -10.811 -0.331 -5.177
209 1HE LYS 35 2HE LYS 35 -13.305 -1.419 -4.819
210 2HE LYS 35 1HE LYS 35 -13.141 -0.414 -3.365
211 1HZ LYS 35 2HZ LYS 35 -12.581 0.471 -6.150
212 2HZ LYS 35 1HZ LYS 35 -13.957 0.890 -5.246
213 3HZ LYS 35 3HZ LYS 35 -12.425 1.427 -4.754
214 H CYS 36 HN CAG 36 -7.404 -4.440 -2.270
215 HA CYS 36 HA CAG 36 -5.996 -2.109 -3.500
216 1HB CYS 36 2HB CAG 36 -6.180 -2.232 -0.975
217 2HB CYS 36 1HB CAG 36 -5.211 -3.697 -1.081
218 HA PRO 37 HA PRO 37 -3.806 -5.733 -4.956
219 1HB PRO 37 2HB PRO 37 -4.553 -5.451 -7.623
220 2HB PRO 37 1HB PRO 37 -5.447 -6.427 -6.442
221 1HG PRO 37 2HG PRO 37 -6.303 -4.007 -7.699
222 2HG PRO 37 1HG PRO 37 -7.162 -4.982 -6.502
223 1HD PRO 37 2HD PRO 37 -5.563 -2.534 -6.128
224 2HD PRO 37 1HD PRO 37 -6.911 -3.187 -5.173
225 H CYS 38 HN CAG 38 -3.101 -3.159 -4.200
226 HA CYS 38 HA CAG 38 -1.740 -1.606 -6.209
227 1HB CYS 38 2HB CAG 38 -2.317 -0.479 -4.345
228 2HB CYS 38 1HB CAG 38 -2.058 -1.837 -3.276
229 H GLY 39 H GLY 39 0.186 -1.643 -6.902
230 1HA GLY 39 2HA GLY 39 2.169 -3.598 -5.815
231 2HA GLY 39 1HA GLY 39 1.932 -3.417 -7.558
232 H ASN 40 HN ASN 40 1.383 -0.435 -6.272
233 HA ASN 40 HA ASN 40 4.252 0.376 -6.164
234 1HB ASN 40 2HB ASN 40 3.693 2.146 -7.899
235 2HB ASN 40 1HB ASN 40 3.713 0.491 -8.511
236 1HD2 ASN 40 2HD2 ASN 40 0.156 2.513 -8.272
237 2HD2 ASN 40 1HD2 ASN 40 1.523 3.113 -7.464
Start of MODEL 10
1 1H GLN 1 1H GLN 1 -2.102 11.641 -5.912
2 2H GLN 1 3H GLN 1 -2.266 10.580 -7.225
3 3H GLN 1 2H GLN 1 -2.554 10.025 -5.645
4 HA GLN 1 HA GLN 1 -0.413 9.216 -6.242
5 1HB GLN 1 2HB GLN 1 -0.370 10.915 -8.144
6 2HB GLN 1 1HB GLN 1 0.225 12.087 -6.969
7 1HG GLN 1 2HG GLN 1 2.007 10.257 -6.416
8 2HG GLN 1 1HG GLN 1 1.566 9.596 -7.991
9 1HE2 GLN 1 2HE2 GLN 1 4.280 12.358 -8.129
10 2HE2 GLN 1 1HE2 GLN 1 4.072 11.134 -6.972
11 H ASN 2 H ASN 2 -1.645 10.099 -3.808
12 HA ASN 2 HA ASN 2 0.296 11.809 -2.390
13 1HB ASN 2 2HB ASN 2 -2.394 11.309 -2.207
14 2HB ASN 2 1HB ASN 2 -1.766 10.306 -0.898
15 1HD2 ASN 2 2HD2 ASN 2 -0.802 13.068 1.118
16 2HD2 ASN 2 1HD2 ASN 2 -0.701 11.387 0.903
17 H GLU 3 H GLU 3 1.355 9.301 -3.449
18 HA GLU 3 HA GLU 3 1.631 7.521 -1.083
19 1HB GLU 3 2HB GLU 3 2.695 6.052 -2.698
20 2HB GLU 3 1HB GLU 3 1.302 6.768 -3.508
21 1HG GLU 3 2HG GLU 3 3.466 8.556 -3.884
22 2HG GLU 3 1HG GLU 3 4.073 6.939 -4.237
23 H GLY 4 H GLY 4 2.690 10.150 -0.875
24 1HA GLY 4 2HA GLY 4 5.634 9.824 -1.100
25 2HA GLY 4 1HA GLY 4 4.797 11.297 -0.575
26 H HIS 5 H HIS 5 4.589 7.902 0.429
27 HA HIS 5 HA HIS 5 5.227 8.743 3.228
28 1HB HIS 5 2HB HIS 5 3.226 7.506 3.917
29 2HB HIS 5 1HB HIS 5 2.786 8.710 2.713
30 HD1 HIS 5 HD1 HIS 5 4.364 6.010 0.865
31 HD2 HIS 5 HD2 HIS 5 0.578 6.611 2.412
32 HE1 HIS 5 HE1 HIS 5 2.862 4.237 -0.130
33 H GLU 6 H GLU 6 5.144 6.538 4.586
34 HA GLU 6 HA GLU 6 6.988 4.654 3.212
35 1HB GLU 6 2HB GLU 6 5.986 4.941 6.061
36 2HB GLU 6 1HB GLU 6 7.100 3.681 5.529
37 1HG GLU 6 2HG GLU 6 8.861 5.107 5.401
38 2HG GLU 6 1HG GLU 6 7.876 6.415 4.745
39 H CYS 7 HN CNP 7 6.031 2.856 2.303
40 HA CYS 7 HA CNP 7 3.277 2.436 2.118
41 1HB CYS 7 2HB CNP 7 4.753 1.187 0.730
42 2HB CYS 7 1HB CNP 7 5.614 0.508 2.109
43 H GLN 8 H GLN 8 1.854 2.318 3.821
44 HA GLN 8 HA GLN 8 2.722 0.667 6.186
45 1HB GLN 8 2HB GLN 8 1.836 3.445 5.887
46 2HB GLN 8 1HB GLN 8 0.938 2.565 7.125
47 1HG GLN 8 2HG GLN 8 2.849 2.140 8.401
48 2HG GLN 8 1HG GLN 8 3.930 2.335 7.022
49 1HE2 GLN 8 2HE2 GLN 8 4.539 5.492 8.636
50 2HE2 GLN 8 1HE2 GLN 8 5.102 3.893 8.546
51 H CYS 9 HN CAG 9 1.187 -0.362 3.994
52 HA CYS 9 HA CAG 9 -1.650 -0.299 4.660
53 1HB CYS 9 2HB CAG 9 0.214 -1.903 2.929
54 2HB CYS 9 1HB CAG 9 -1.517 -2.254 2.974
55 H GLN 10 H GLN 10 -2.811 -2.138 5.623
56 HA GLN 10 HA GLN 10 -1.201 -3.564 7.653
57 1HB GLN 10 2HB GLN 10 -4.027 -2.837 7.122
58 2HB GLN 10 1HB GLN 10 -3.786 -4.350 7.997
59 1HG GLN 10 2HG GLN 10 -1.984 -2.600 9.198
60 2HG GLN 10 1HG GLN 10 -3.411 -1.603 8.916
61 1HE2 GLN 10 2HE2 GLN 10 -4.786 -2.959 11.869
62 2HE2 GLN 10 1HE2 GLN 10 -4.315 -1.564 11.023
63 H CYS 11 HN CNP 11 -1.500 -4.205 4.550
64 HA CYS 11 HA CNP 11 -2.594 -6.888 4.502
65 1HB CYS 11 2HB CNP 11 -0.824 -5.432 2.531
66 2HB CYS 11 1HB CNP 11 -2.023 -6.654 2.205
67 H GLY 12 H GLY 12 -0.778 -8.155 2.909
68 1HA GLY 12 2HA GLY 12 1.606 -8.529 4.667
69 2HA GLY 12 1HA GLY 12 0.850 -9.841 3.754
70 H SER 13 H SER 13 0.367 -7.901 1.483
71 HA SER 13 HA SER 13 2.820 -8.428 0.012
72 1HB SER 13 2HB SER 13 1.256 -8.245 -1.615
73 2HB SER 13 1HB SER 13 0.086 -7.658 -0.438
74 HG SER 13 HG SER 13 0.805 -5.581 -0.800
75 H CYS 14 HN CAG 14 1.463 -5.703 1.789
76 HA CYS 14 HA CAG 14 3.448 -3.799 0.771
77 1HB CYS 14 2HB CAG 14 1.111 -3.846 2.692
78 2HB CYS 14 1HB CAG 14 2.167 -2.477 2.589
79 H LYS 15 H LYS 15 2.546 -5.451 3.771
80 HA LYS 15 HA LYS 15 4.632 -4.425 5.442
81 1HB LYS 15 2HB LYS 15 2.995 -6.984 5.453
82 2HB LYS 15 1HB LYS 15 3.948 -6.413 6.823
83 1HG LYS 15 2HG LYS 15 2.618 -4.222 6.625
84 2HG LYS 15 1HG LYS 15 1.525 -5.117 5.569
85 1HD LYS 15 2HD LYS 15 0.641 -5.240 7.816
86 2HD LYS 15 1HD LYS 15 1.280 -6.830 7.402
87 1HE LYS 15 2HE LYS 15 3.508 -5.672 8.477
88 2HE LYS 15 1HE LYS 15 2.232 -4.902 9.439
89 1HZ LYS 15 2HZ LYS 15 2.043 -7.775 8.861
90 2HZ LYS 15 1HZ LYS 15 3.104 -7.263 10.085
91 3HZ LYS 15 3HZ LYS 15 1.450 -6.904 10.194
92 H ASN 16 H ASN 16 4.540 -6.997 3.053
93 HA ASN 16 HA ASN 16 7.348 -7.755 3.804
94 1HB ASN 16 2HB ASN 16 5.367 -9.488 2.320
95 2HB ASN 16 1HB ASN 16 6.792 -9.989 3.227
96 1HD2 ASN 16 2HD2 ASN 16 4.891 -8.926 6.351
97 2HD2 ASN 16 1HD2 ASN 16 6.221 -8.237 5.551
98 H ASN 17 H ASN 17 5.275 -8.273 0.925
99 HA ASN 17 HA ASN 17 7.301 -8.159 -1.019
100 1HB ASN 17 2HB ASN 17 4.473 -8.243 -0.852
101 2HB ASN 17 1HB ASN 17 4.867 -6.922 -1.953
102 1HD2 ASN 17 2HD2 ASN 17 4.850 -10.314 -3.722
103 2HD2 ASN 17 1HD2 ASN 17 3.747 -9.631 -2.628
104 H GLU 18 H GLU 18 8.814 -6.505 -0.891
105 HA GLU 18 HA GLU 18 7.996 -3.731 -0.433
106 1HB GLU 18 2HB GLU 18 10.396 -3.328 -0.567
107 2HB GLU 18 1HB GLU 18 10.127 -4.796 0.372
108 1HG GLU 18 2HG GLU 18 10.276 -5.534 -2.383
109 2HG GLU 18 1HG GLU 18 11.656 -4.495 -2.022
110 H GLN 19 H GLN 19 7.513 -5.607 -3.013
111 HA GLN 19 HA GLN 19 8.655 -4.064 -5.171
112 1HB GLN 19 2HB GLN 19 7.236 -6.471 -4.764
113 2HB GLN 19 1HB GLN 19 6.260 -5.508 -5.872
114 1HG GLN 19 2HG GLN 19 8.765 -5.116 -6.899
115 2HG GLN 19 1HG GLN 19 8.894 -6.769 -6.297
116 1HE2 GLN 19 2HE2 GLN 19 6.785 -6.062 -9.655
117 2HE2 GLN 19 1HE2 GLN 19 7.725 -4.866 -8.900
118 H CYS 20 HN CAG 20 5.922 -3.750 -3.198
119 HA CYS 20 HA CAG 20 4.743 -1.646 -4.952
120 1HB CYS 20 2HB CAG 20 2.668 -2.259 -3.752
121 2HB CYS 20 1HB CAG 20 3.433 -3.669 -4.483
122 H GLN 21 H GLN 21 6.760 -1.857 -2.358
123 HA GLN 21 HA GLN 21 5.479 0.178 -0.627
124 1HB GLN 21 2HB GLN 21 7.335 -0.293 0.806
125 2HB GLN 21 1HB GLN 21 6.843 -1.833 0.110
126 1HG GLN 21 2HG GLN 21 8.809 -2.090 -0.979
127 2HG GLN 21 1HG GLN 21 8.846 -0.416 -1.511
128 1HE2 GLN 21 2HE2 GLN 21 10.328 -1.189 2.256
129 2HE2 GLN 21 1HE2 GLN 21 8.981 -2.065 1.705
130 H LYS 22 H LYS 22 6.712 0.476 -3.528
131 HA LYS 22 HA LYS 22 8.822 2.416 -3.233
132 1HB LYS 22 2HB LYS 22 7.181 1.211 -5.388
133 2HB LYS 22 1HB LYS 22 8.056 2.699 -5.757
134 1HG LYS 22 2HG LYS 22 9.826 1.349 -6.165
135 2HG LYS 22 1HG LYS 22 9.951 1.217 -4.410
136 1HD LYS 22 2HD LYS 22 9.207 -0.925 -4.401
137 2HD LYS 22 1HD LYS 22 7.951 -0.587 -5.592
138 1HE LYS 22 2HE LYS 22 9.503 -2.104 -6.650
139 2HE LYS 22 1HE LYS 22 9.834 -0.501 -7.339
140 1HZ LYS 22 1HZ LYS 22 11.232 -1.688 -4.999
141 2HZ LYS 22 3HZ LYS 22 11.873 -1.580 -6.566
142 3HZ LYS 22 2HZ LYS 22 11.550 -0.166 -5.684
143 H SER 23 H SER 23 5.634 2.757 -4.576
144 HA SER 23 HA SER 23 5.333 5.411 -3.274
145 1HB SER 23 2HB SER 23 5.937 4.862 -6.120
146 2HB SER 23 1HB SER 23 4.678 6.061 -5.834
147 HG SER 23 HG SER 23 6.620 7.128 -5.799
148 H CYS 24 HN CNP 24 3.711 3.304 -2.626
149 HA CYS 24 HA CNP 24 1.298 3.247 -4.252
150 1HB CYS 24 2HB CNP 24 0.857 1.483 -2.843
151 2HB CYS 24 1HB CNP 24 2.582 1.569 -2.648
152 H SER 25 H SER 25 -0.311 4.767 -4.081
153 HA SER 25 HA SER 25 -0.034 6.948 -2.155
154 1HB SER 25 2HB SER 25 -2.373 7.450 -3.309
155 2HB SER 25 1HB SER 25 -0.878 7.608 -4.227
156 HG SER 25 HG SER 25 -1.676 6.139 -5.486
157 H CYS 26 HN CAG 26 -0.818 4.021 -1.298
158 HA CYS 26 HA CAG 26 -3.398 3.951 -0.239
159 1HB CYS 26 2HB CAG 26 -0.645 2.983 0.476
160 2HB CYS 26 1HB CAG 26 -1.979 2.706 1.602
161 HA PRO 27 HA PRO 27 -2.799 7.588 2.403
162 1HB PRO 27 2HB PRO 27 -5.430 7.734 3.186
163 2HB PRO 27 1HB PRO 27 -4.844 8.426 1.659
164 1HG PRO 27 2HG PRO 27 -6.204 5.812 2.146
165 2HG PRO 27 1HG PRO 27 -6.463 6.991 0.847
166 1HD PRO 27 2HD PRO 27 -5.019 4.755 0.455
167 2HD PRO 27 1HD PRO 27 -4.601 6.291 -0.343
168 H THR 28 H THR 28 -1.573 6.467 3.863
169 HA THR 28 HA THR 28 -1.701 4.299 5.310
170 HB THR 28 HB THR 28 -0.759 5.645 7.270
171 HG1 THR 28 HG1 THR 28 -1.170 7.690 7.270
172 1HG2 THR 28 3HG2 THR 28 0.231 6.218 4.464
173 2HG2 THR 28 2HG2 THR 28 1.191 6.370 5.935
174 3HG2 THR 28 1HG2 THR 28 0.612 4.786 5.419
175 H GLY 29 H GLY 29 -3.815 3.969 5.083
176 1HA GLY 29 2HA GLY 29 -5.274 3.825 7.563
177 2HA GLY 29 1HA GLY 29 -6.103 4.770 6.316
178 H CYS 30 HN CAG 30 -4.552 2.901 4.241
179 HA CYS 30 HA CAG 30 -6.700 1.227 3.562
180 1HB CYS 30 2HB CAG 30 -4.496 1.848 2.383
181 2HB CYS 30 1HB CAG 30 -3.786 0.493 3.257
182 H ASN 31 H ASN 31 -7.655 -0.295 4.831
183 HA ASN 31 HA ASN 31 -5.897 -2.155 6.395
184 1HB ASN 31 2HB ASN 31 -8.350 -0.591 7.214
185 2HB ASN 31 1HB ASN 31 -7.832 -2.022 8.105
186 1HD2 ASN 31 2HD2 ASN 31 -6.147 1.322 9.194
187 2HD2 ASN 31 1HD2 ASN 31 -7.727 1.102 8.613
188 H SER 32 H SER 32 -8.018 -1.972 3.895
189 HA SER 32 HA SER 32 -9.364 -4.556 4.586
190 1HB SER 32 2HB SER 32 -10.135 -2.530 2.473
191 2HB SER 32 1HB SER 32 -11.131 -3.822 3.133
192 HG SER 32 HG SER 32 -10.596 -2.616 5.229
193 H ASP 33 H ASP 33 -9.494 -6.133 2.853
194 HA ASP 33 HA ASP 33 -7.064 -6.242 1.210
195 1HB ASP 33 2HB ASP 33 -7.905 -8.511 0.739
196 2HB ASP 33 1HB ASP 33 -8.000 -8.168 2.467
197 H ASP 34 H ASP 34 -10.556 -5.814 0.670
198 HA ASP 34 HA ASP 34 -10.132 -5.756 -2.242
199 1HB ASP 34 2HB ASP 34 -12.476 -5.840 -0.368
200 2HB ASP 34 1HB ASP 34 -12.736 -5.293 -2.025
201 H LYS 35 H LYS 35 -9.058 -3.790 -0.455
202 HA LYS 35 HA LYS 35 -10.051 -1.392 -1.868
203 1HB LYS 35 2HB LYS 35 -11.021 -1.534 0.469
204 2HB LYS 35 1HB LYS 35 -9.370 -1.536 1.093
205 1HG LYS 35 2HG LYS 35 -10.187 0.736 1.197
206 2HG LYS 35 1HG LYS 35 -8.998 0.653 -0.102
207 1HD LYS 35 2HD LYS 35 -10.810 1.841 -1.054
208 2HD LYS 35 1HD LYS 35 -11.009 0.197 -1.659
209 1HE LYS 35 2HE LYS 35 -12.674 -0.279 0.084
210 2HE LYS 35 1HE LYS 35 -12.445 1.345 0.764
211 1HZ LYS 35 2HZ LYS 35 -12.806 1.909 -1.822
212 2HZ LYS 35 1HZ LYS 35 -13.801 0.540 -1.675
213 3HZ LYS 35 3HZ LYS 35 -14.068 1.890 -0.684
214 H CYS 36 HN CAG 36 -7.936 -3.298 -2.144
215 HA CYS 36 HA CAG 36 -5.573 -1.480 -1.895
216 1HB CYS 36 2HB CAG 36 -5.878 -3.484 -0.275
217 2HB CYS 36 1HB CAG 36 -5.434 -4.438 -1.676
218 HA PRO 37 HA PRO 37 -5.787 -3.392 -5.998
219 1HB PRO 37 2HB PRO 37 -6.568 -1.173 -7.441
220 2HB PRO 37 1HB PRO 37 -7.712 -2.349 -6.768
221 1HG PRO 37 2HG PRO 37 -7.188 0.383 -5.923
222 2HG PRO 37 1HG PRO 37 -8.524 -0.689 -5.492
223 1HD PRO 37 2HD PRO 37 -6.173 -0.028 -3.959
224 2HD PRO 37 1HD PRO 37 -7.592 -0.985 -3.479
225 H CYS 38 HN CAG 38 -3.802 -2.333 -4.289
226 HA CYS 38 HA CAG 38 -2.154 -0.400 -5.779
227 1HB CYS 38 2HB CAG 38 -2.136 -0.228 -3.489
228 2HB CYS 38 1HB CAG 38 -2.069 -1.958 -3.216
229 H GLY 39 H GLY 39 -0.448 -0.776 -6.846
230 1HA GLY 39 2HA GLY 39 0.600 -3.551 -7.164
231 2HA GLY 39 1HA GLY 39 0.241 -2.581 -8.599
232 H ASN 40 HN ASN 40 1.187 -0.479 -6.201
233 HA ASN 40 HA ASN 40 4.103 -0.766 -6.790
234 1HB ASN 40 2HB ASN 40 4.242 1.333 -7.823
235 2HB ASN 40 1HB ASN 40 2.697 0.737 -8.423
236 1HD2 ASN 40 2HD2 ASN 40 0.829 2.925 -6.139
237 2HD2 ASN 40 1HD2 ASN 40 0.816 1.303 -6.637
No H/Q in entry = 237