NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22674 |
2jq8   |
15271 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ASP 1 HA ASP 1 -11.149 -9.128 -6.046
2 H1 ASP 1 1HT ASP 1 -13.340 -8.120 -7.694
3 H2 ASP 1 2HT ASP 1 -12.711 -7.114 -6.473
4 H3 ASP 1 3HT ASP 1 -13.338 -8.641 -6.080
5 HB2 ASP 1 2HB ASP 1 -12.052 -10.657 -7.650
6 HB3 ASP 1 1HB ASP 1 -12.008 -9.442 -8.926
7 H GLN 2 H GLN 2 -11.814 -6.805 -8.623
8 HA GLN 2 HA GLN 2 -9.041 -6.269 -9.104
9 HB2 GLN 2 2HB GLN 2 -11.617 -5.135 -10.136
10 HB3 GLN 2 1HB GLN 2 -10.085 -4.346 -10.492
11 HG2 GLN 2 2HG GLN 2 -10.226 -5.691 -12.306
12 HG3 GLN 2 1HG GLN 2 -9.402 -6.796 -11.207
13 HE21 GLN 2 1HE2 GLN 2 -10.258 -8.472 -12.574
14 HE22 GLN 2 2HE2 GLN 2 -11.888 -9.018 -12.356
15 H GLU 3 H GLU 3 -9.321 -5.874 -6.494
16 HA GLU 3 HA GLU 3 -9.123 -2.949 -6.213
17 HB2 GLU 3 2HB GLU 3 -9.192 -3.744 -3.647
18 HB3 GLU 3 1HB GLU 3 -10.639 -3.349 -4.562
19 HG2 GLU 3 2HG GLU 3 -9.847 -6.136 -4.843
20 HG3 GLU 3 1HG GLU 3 -10.178 -5.673 -3.176
21 H SER 4 H SER 4 -7.257 -5.161 -7.112
22 HA SER 4 HA SER 4 -5.235 -5.566 -5.214
23 HG SER 4 HG SER 4 -6.273 -7.000 -8.411
24 HB2 SER 4 2HB SER 4 -4.026 -5.707 -7.709
25 HB3 SER 4 1HB SER 4 -4.831 -7.041 -6.880
26 H CYS 5 H CYS 5 -2.984 -4.733 -5.487
27 HA CYS 5 HA CYS 5 -3.137 -1.834 -5.711
28 HB2 CYS 5 2HB CYS 5 -1.462 -3.749 -4.243
29 HB3 CYS 5 1HB CYS 5 -0.593 -2.353 -4.882
30 H LYS 6 H LYS 6 -2.371 -0.729 -7.345
31 HA LYS 6 HA LYS 6 -0.260 -1.912 -8.997
32 HB2 LYS 6 2HB LYS 6 -2.892 -0.820 -9.802
33 HB3 LYS 6 1HB LYS 6 -1.521 -0.340 -10.795
34 HG2 LYS 6 2HG LYS 6 -1.717 -2.250 -11.886
35 HG3 LYS 6 1HG LYS 6 -1.242 -3.088 -10.409
36 HD2 LYS 6 2HD LYS 6 -3.887 -2.548 -9.956
37 HD3 LYS 6 1HD LYS 6 -3.860 -2.882 -11.689
38 HE2 LYS 6 2HE LYS 6 -2.718 -4.659 -9.536
39 HE3 LYS 6 1HE LYS 6 -4.256 -4.913 -10.359
40 HZ1 LYS 6 3HZ LYS 6 -2.654 -4.765 -12.457
41 HZ2 LYS 6 1HZ LYS 6 -2.947 -6.224 -11.641
42 HZ3 LYS 6 2HZ LYS 6 -1.533 -5.345 -11.322
43 H GLY 7 H GLY 7 -1.678 1.161 -9.755
44 HA2 GLY 7 2HA GLY 7 0.884 2.421 -9.140
45 HA3 GLY 7 1HA GLY 7 -0.384 3.087 -10.155
46 H ARG 8 H ARG 8 -1.657 1.874 -7.289
47 HA ARG 8 HA ARG 8 -2.238 4.585 -6.390
48 HE ARG 8 HE ARG 8 -5.084 -0.936 -4.999
49 HB2 ARG 8 2HB ARG 8 -3.817 3.473 -4.833
50 HB3 ARG 8 1HB ARG 8 -4.097 2.996 -6.500
51 HG2 ARG 8 2HG ARG 8 -3.250 0.850 -6.154
52 HG3 ARG 8 1HG ARG 8 -2.414 1.316 -4.672
53 HD2 ARG 8 2HD ARG 8 -4.166 0.590 -3.512
54 HD3 ARG 8 1HD ARG 8 -5.133 1.872 -4.238
55 HH11 ARG 8 1HH1 ARG 8 -6.225 2.307 -5.681
56 HH12 ARG 8 2HH1 ARG 8 -7.436 1.775 -6.810
57 HH21 ARG 8 1HH2 ARG 8 -6.678 -1.631 -6.469
58 HH22 ARG 8 2HH2 ARG 8 -7.704 -0.456 -7.242
59 H CYS 9 H CYS 9 0.387 4.019 -6.115
60 HA CYS 9 HA CYS 9 0.681 3.966 -3.191
61 HB2 CYS 9 2HB CYS 9 1.445 1.822 -4.483
62 HB3 CYS 9 1HB CYS 9 2.811 2.819 -4.970
63 H THR 10 H THR 10 0.556 5.962 -5.481
64 HA THR 10 HA THR 10 3.118 7.322 -4.932
65 HB THR 10 HB THR 10 1.978 8.161 -7.444
66 HG1 THR 10 1HG THR 10 1.128 6.030 -7.538
67 HG21 THR 10 3HG2 THR 10 4.167 7.915 -8.209
68 HG22 THR 10 1HG2 THR 10 4.506 6.582 -7.104
69 HG23 THR 10 2HG2 THR 10 4.386 8.231 -6.489
70 H GLU 11 H GLU 11 -0.297 7.595 -5.681
71 HA GLU 11 HA GLU 11 -0.441 10.437 -5.420
72 HB2 GLU 11 2HB GLU 11 -2.887 10.047 -5.455
73 HB3 GLU 11 1HB GLU 11 -2.050 9.218 -6.761
74 HG2 GLU 11 2HG GLU 11 -2.510 7.683 -4.287
75 HG3 GLU 11 1HG GLU 11 -3.913 8.044 -5.297
76 H GLY 12 H GLY 12 -0.604 7.760 -3.238
77 HA2 GLY 12 2HA GLY 12 -0.025 8.462 -0.896
78 HA3 GLY 12 1HA GLY 12 -1.373 9.581 -1.050
79 H PHE 13 H PHE 13 -1.589 8.038 1.023
80 HA PHE 13 HA PHE 13 -2.611 5.431 0.572
81 HD1 PHE 13 1HD PHE 13 -5.166 5.637 3.246
82 HD2 PHE 13 2HD PHE 13 -1.200 4.110 3.205
83 HE1 PHE 13 1HE PHE 13 -5.966 3.556 4.273
84 HE2 PHE 13 2HE PHE 13 -1.986 2.022 4.229
85 HZ PHE 13 HZ PHE 13 -4.375 1.737 4.764
86 HB2 PHE 13 2HB PHE 13 -1.589 6.373 2.718
87 HB3 PHE 13 1HB PHE 13 -3.159 7.113 3.014
88 H ASN 14 H ASN 14 -4.461 5.028 -0.456
89 HA ASN 14 HA ASN 14 -6.769 6.740 -0.245
90 HB2 ASN 14 2HB ASN 14 -6.025 4.726 -2.000
91 HB3 ASN 14 1HB ASN 14 -7.295 3.982 -1.033
92 HD21 ASN 14 1HD2 ASN 14 -8.548 6.709 -0.656
93 HD22 ASN 14 2HD2 ASN 14 -9.393 6.980 -2.143
94 H VAL 15 H VAL 15 -7.429 6.887 1.855
95 HA VAL 15 HA VAL 15 -7.589 4.526 3.513
96 HB VAL 15 HB VAL 15 -9.051 6.855 4.507
97 HG11 VAL 15 1HG1 VAL 15 -8.431 5.937 6.427
98 HG12 VAL 15 2HG1 VAL 15 -6.724 6.122 6.016
99 HG13 VAL 15 3HG1 VAL 15 -7.606 4.677 5.509
100 HG21 VAL 15 3HG2 VAL 15 -6.605 7.876 4.992
101 HG22 VAL 15 1HG2 VAL 15 -7.641 8.407 3.667
102 HG23 VAL 15 2HG2 VAL 15 -6.358 7.236 3.367
103 H ASP 16 H ASP 16 -9.390 5.698 1.057
104 HA ASP 16 HA ASP 16 -11.854 4.506 2.112
105 HB2 ASP 16 2HB ASP 16 -11.871 7.025 1.565
106 HB3 ASP 16 1HB ASP 16 -11.827 6.517 -0.121
107 H LYS 17 H LYS 17 -9.918 2.897 0.974
108 HA LYS 17 HA LYS 17 -11.512 1.948 -1.302
109 HB2 LYS 17 2HB LYS 17 -8.680 2.553 -1.245
110 HB3 LYS 17 1HB LYS 17 -8.949 0.857 -1.626
111 HG2 LYS 17 2HG LYS 17 -10.117 3.217 -3.077
112 HG3 LYS 17 1HG LYS 17 -8.824 2.163 -3.650
113 HD2 LYS 17 2HD LYS 17 -10.369 0.265 -3.645
114 HD3 LYS 17 1HD LYS 17 -11.661 1.313 -3.057
115 HE2 LYS 17 2HE LYS 17 -10.340 2.298 -5.477
116 HE3 LYS 17 1HE LYS 17 -11.142 0.739 -5.682
117 HZ1 LYS 17 3HZ LYS 17 -12.502 2.835 -6.095
118 HZ2 LYS 17 1HZ LYS 17 -12.532 3.020 -4.410
119 HZ3 LYS 17 2HZ LYS 17 -13.198 1.633 -5.125
120 H LYS 18 H LYS 18 -11.040 -0.479 -1.662
121 HA LYS 18 HA LYS 18 -11.549 -1.828 0.833
122 HB2 LYS 18 2HB LYS 18 -11.111 -3.205 -1.805
123 HB3 LYS 18 1HB LYS 18 -12.114 -3.714 -0.455
124 HG2 LYS 18 2HG LYS 18 -13.859 -2.860 -1.510
125 HG3 LYS 18 1HG LYS 18 -13.164 -1.256 -1.271
126 HD2 LYS 18 2HD LYS 18 -12.314 -1.160 -3.398
127 HD3 LYS 18 1HD LYS 18 -12.180 -2.913 -3.538
128 HE2 LYS 18 2HE LYS 18 -14.880 -1.665 -3.326
129 HE3 LYS 18 1HE LYS 18 -14.019 -1.604 -4.863
130 HZ1 LYS 18 3HZ LYS 18 -13.868 -4.221 -3.832
131 HZ2 LYS 18 1HZ LYS 18 -14.615 -3.682 -5.258
132 HZ3 LYS 18 2HZ LYS 18 -15.493 -3.721 -3.807
133 H CYS 19 H CYS 19 -8.879 -1.205 -1.183
134 HA CYS 19 HA CYS 19 -7.107 -2.626 0.612
135 HB2 CYS 19 2HB CYS 19 -7.857 -4.056 -1.488
136 HB3 CYS 19 1HB CYS 19 -6.658 -3.068 -2.313
137 H GLN 20 H GLN 20 -5.057 -1.657 0.696
138 HA GLN 20 HA GLN 20 -4.882 0.864 -0.797
139 HB2 GLN 20 2HB GLN 20 -3.894 1.320 1.816
140 HB3 GLN 20 1HB GLN 20 -5.277 2.071 1.029
141 HG2 GLN 20 2HG GLN 20 -5.537 -0.587 2.378
142 HG3 GLN 20 1HG GLN 20 -5.574 0.908 3.312
143 HE21 GLN 20 1HE2 GLN 20 -7.745 -0.299 3.699
144 HE22 GLN 20 2HE2 GLN 20 -9.058 0.225 2.697
145 H CYS 21 H CYS 21 -2.823 1.755 -1.075
146 HA CYS 21 HA CYS 21 -0.554 0.366 0.145
147 HB2 CYS 21 2HB CYS 21 -0.982 0.798 -2.810
148 HB3 CYS 21 1HB CYS 21 0.641 0.668 -2.133
149 H ASP 22 H ASP 22 0.539 1.895 1.208
150 HA ASP 22 HA ASP 22 1.540 4.130 -0.312
151 HB2 ASP 22 2HB ASP 22 -0.603 4.935 0.821
152 HB3 ASP 22 1HB ASP 22 0.244 4.715 2.349
153 H GLU 23 H GLU 23 3.131 5.405 1.235
154 HA GLU 23 HA GLU 23 4.850 3.612 2.612
155 HB2 GLU 23 2HB GLU 23 5.807 5.760 3.585
156 HB3 GLU 23 1HB GLU 23 5.829 5.629 1.832
157 HG2 GLU 23 2HG GLU 23 3.786 7.011 1.740
158 HG3 GLU 23 1HG GLU 23 3.866 7.197 3.491
159 H LEU 24 H LEU 24 1.972 5.312 3.416
160 HA LEU 24 HA LEU 24 2.232 4.963 6.277
161 HG LEU 24 HG LEU 24 1.846 7.431 4.640
162 HB2 LEU 24 2HB LEU 24 -0.126 5.833 4.605
163 HB3 LEU 24 1HB LEU 24 -0.062 5.861 6.357
164 HD11 LEU 24 1HD1 LEU 24 -0.939 7.853 4.988
165 HD12 LEU 24 2HD1 LEU 24 0.236 8.866 4.153
166 HD13 LEU 24 3HD1 LEU 24 -0.067 9.105 5.871
167 HD21 LEU 24 3HD2 LEU 24 1.713 8.794 6.890
168 HD22 LEU 24 1HD2 LEU 24 2.787 7.408 6.724
169 HD23 LEU 24 2HD2 LEU 24 1.236 7.227 7.543
170 H CYS 25 H CYS 25 1.989 2.708 4.121
171 HA CYS 25 HA CYS 25 -0.380 1.299 4.642
172 HB2 CYS 25 2HB CYS 25 0.484 0.008 3.042
173 HB3 CYS 25 1HB CYS 25 2.009 0.870 3.161
174 H SER 26 H SER 26 2.757 1.300 6.258
175 HA SER 26 HA SER 26 2.088 -0.713 8.162
176 HG SER 26 HG SER 26 5.446 1.202 7.357
177 HB2 SER 26 2HB SER 26 4.138 0.960 9.170
178 HB3 SER 26 1HB SER 26 4.318 -0.604 8.372
179 H TYR 27 H TYR 27 1.599 2.690 7.907
180 HA TYR 27 HA TYR 27 1.280 3.324 10.643
181 HD1 TYR 27 1HD TYR 27 1.207 5.901 11.506
182 HD2 TYR 27 2HD TYR 27 -1.652 5.804 8.362
183 HE1 TYR 27 1HE TYR 27 -0.142 7.584 12.689
184 HE2 TYR 27 2HE TYR 27 -3.015 7.478 9.530
185 HH TYR 27 HH TYR 27 -2.946 9.076 11.199
186 HB2 TYR 27 2HB TYR 27 1.730 5.086 9.088
187 HB3 TYR 27 1HB TYR 27 0.343 4.654 8.099
188 H TYR 28 H TYR 28 -1.062 2.590 8.065
189 HA TYR 28 HA TYR 28 -3.225 2.484 10.011
190 HD1 TYR 28 1HD TYR 28 -5.472 3.955 9.241
191 HD2 TYR 28 2HD TYR 28 -2.460 4.182 6.249
192 HE1 TYR 28 1HE TYR 28 -5.929 6.359 8.977
193 HE2 TYR 28 2HE TYR 28 -2.898 6.587 5.978
194 HH TYR 28 HH TYR 28 -3.856 8.429 7.119
195 HB2 TYR 28 2HB TYR 28 -3.173 2.082 7.014
196 HB3 TYR 28 1HB TYR 28 -4.622 1.918 7.995
197 H GLN 29 H GLN 29 -0.925 0.402 8.685
198 HA GLN 29 HA GLN 29 -0.652 -1.843 8.487
199 HB2 GLN 29 2HB GLN 29 -2.733 -1.827 10.679
200 HB3 GLN 29 1HB GLN 29 -1.885 -3.271 10.152
201 HG2 GLN 29 2HG GLN 29 0.255 -1.931 10.692
202 HG3 GLN 29 1HG GLN 29 -0.829 -0.897 11.624
203 HE21 GLN 29 1HE2 GLN 29 -2.540 -2.523 12.812
204 HE22 GLN 29 2HE2 GLN 29 -1.733 -3.678 13.826
205 H SER 30 H SER 30 -2.006 -0.902 6.477
206 HA SER 30 HA SER 30 -3.928 -2.970 5.830
207 HG SER 30 HG SER 30 -4.493 -1.004 7.687
208 HB2 SER 30 2HB SER 30 -4.804 -0.228 5.085
209 HB3 SER 30 1HB SER 30 -5.769 -1.642 5.501
210 H CYS 31 H CYS 31 -1.982 -3.470 4.578
211 HA CYS 31 HA CYS 31 -2.084 -2.028 2.021
212 HB2 CYS 31 2HB CYS 31 0.406 -3.289 2.107
213 HB3 CYS 31 1HB CYS 31 0.096 -1.566 2.265
214 H CYS 32 H CYS 32 -1.997 -3.306 0.152
215 HA CYS 32 HA CYS 32 -2.986 -5.972 0.426
216 HB2 CYS 32 2HB CYS 32 -1.930 -4.786 -2.126
217 HB3 CYS 32 1HB CYS 32 -3.230 -5.958 -1.915
218 H THR 33 H THR 33 -2.010 -7.782 -0.908
219 HA THR 33 HA THR 33 0.571 -8.376 0.100
220 HB THR 33 HB THR 33 -0.248 -10.088 -2.092
221 HG1 THR 33 1HG THR 33 -2.168 -10.661 -0.433
222 HG21 THR 33 3HG2 THR 33 -0.344 -10.774 0.826
223 HG22 THR 33 1HG2 THR 33 1.201 -10.522 0.016
224 HG23 THR 33 2HG2 THR 33 0.109 -11.791 -0.541
225 H ASP 34 H ASP 34 -0.600 -7.081 -2.931
226 HA ASP 34 HA ASP 34 1.969 -7.505 -4.221
227 HB2 ASP 34 2HB ASP 34 0.675 -6.009 -6.028
228 HB3 ASP 34 1HB ASP 34 0.464 -7.749 -5.913
229 H TYR 35 H TYR 35 1.378 -5.627 -1.881
230 HA TYR 35 HA TYR 35 1.805 -2.979 -2.806
231 HD1 TYR 35 2HD TYR 35 1.917 -0.851 -1.487
232 HD2 TYR 35 1HD TYR 35 3.747 -3.448 1.344
233 HE1 TYR 35 2HE TYR 35 3.172 1.047 -0.572
234 HE2 TYR 35 1HE TYR 35 5.006 -1.551 2.272
235 HH TYR 35 HH TYR 35 4.241 1.623 1.666
236 HB2 TYR 35 2HB TYR 35 0.913 -3.233 -0.610
237 HB3 TYR 35 1HB TYR 35 2.205 -4.327 -0.132
238 H THR 36 H THR 36 3.925 -5.487 -1.524
239 HA THR 36 HA THR 36 6.309 -3.953 -1.774
240 HB THR 36 HB THR 36 7.166 -6.531 -1.641
241 HG1 THR 36 1HG THR 36 4.928 -6.732 0.003
242 HG21 THR 36 3HG2 THR 36 6.023 -5.136 0.761
243 HG22 THR 36 1HG2 THR 36 7.459 -4.534 -0.067
244 HG23 THR 36 2HG2 THR 36 7.473 -6.141 0.660
245 H ALA 37 H ALA 37 4.547 -6.149 -3.817
246 HA ALA 37 HA ALA 37 6.586 -6.595 -5.741
247 HB1 ALA 37 3HB ALA 37 4.928 -8.178 -5.863
248 HB2 ALA 37 1HB ALA 37 4.473 -7.115 -7.193
249 HB3 ALA 37 2HB ALA 37 3.634 -7.002 -5.647
250 H GLU 38 H GLU 38 3.698 -4.472 -5.827
251 HA GLU 38 HA GLU 38 4.544 -3.318 -8.321
252 HB2 GLU 38 2HB GLU 38 2.190 -2.995 -6.514
253 HB3 GLU 38 1HB GLU 38 2.505 -1.764 -7.732
254 HG2 GLU 38 2HG GLU 38 2.372 -4.665 -8.446
255 HG3 GLU 38 1HG GLU 38 0.915 -3.684 -8.304
256 H CYS 39 H CYS 39 4.422 -2.215 -4.950
257 HA CYS 39 HA CYS 39 5.214 0.466 -5.716
258 HB2 CYS 39 2HB CYS 39 3.620 -0.203 -3.787
259 HB3 CYS 39 1HB CYS 39 5.093 -0.540 -2.891
260 H LYS 40 H LYS 40 6.606 -2.109 -3.668
261 HA LYS 40 HA LYS 40 8.727 -2.541 -2.971
262 HB2 LYS 40 2HB LYS 40 8.968 -1.719 -5.710
263 HB3 LYS 40 1HB LYS 40 10.363 -1.139 -4.810
264 HG2 LYS 40 2HG LYS 40 11.227 -3.188 -4.621
265 HG3 LYS 40 1HG LYS 40 9.664 -3.906 -4.220
266 HD2 LYS 40 2HD LYS 40 9.290 -3.308 -6.837
267 HD3 LYS 40 1HD LYS 40 11.020 -3.658 -6.823
268 HE2 LYS 40 2HE LYS 40 10.710 -5.849 -6.306
269 HE3 LYS 40 1HE LYS 40 9.235 -5.539 -5.390
270 HZ1 LYS 40 3HZ LYS 40 9.517 -5.606 -8.351
271 HZ2 LYS 40 1HZ LYS 40 8.107 -5.125 -7.542
272 HZ3 LYS 40 2HZ LYS 40 8.673 -6.714 -7.377
273 HA PRO 41 HA PRO 41 8.829 1.683 -1.116
274 HB2 PRO 41 2HB PRO 41 8.568 0.933 1.456
275 HB3 PRO 41 1HB PRO 41 7.185 1.070 0.367
276 HG2 PRO 41 2HG PRO 41 8.683 -1.374 1.225
277 HG3 PRO 41 1HG PRO 41 6.934 -1.139 1.052
278 HD2 PRO 41 2HD PRO 41 8.480 -2.384 -0.819
279 HD3 PRO 41 1HD PRO 41 6.983 -1.515 -1.210
280 H GLN 42 H GLN 42 10.813 -1.086 -0.790
281 HA GLN 42 HA GLN 42 12.993 -1.396 -0.243
282 HB2 GLN 42 2HB GLN 42 13.016 1.619 -0.392
283 HB3 GLN 42 1HB GLN 42 14.458 0.670 -0.064
284 HG2 GLN 42 2HG GLN 42 14.277 -0.419 -2.209
285 HG3 GLN 42 1HG GLN 42 12.761 0.421 -2.538
286 HE21 GLN 42 1HE2 GLN 42 13.357 2.948 -1.658
287 HE22 GLN 42 2HE2 GLN 42 14.598 3.636 -2.647
288 H VAL 43 H VAL 43 11.928 -2.181 1.784
289 HA VAL 43 HA VAL 43 12.079 -0.467 4.094
290 HB VAL 43 HB VAL 43 11.781 -3.445 4.274
291 HG11 VAL 43 1HG1 VAL 43 10.923 -3.044 6.335
292 HG12 VAL 43 2HG1 VAL 43 10.181 -1.517 5.852
293 HG13 VAL 43 3HG1 VAL 43 11.914 -1.594 6.184
294 HG21 VAL 43 3HG2 VAL 43 9.264 -2.942 4.105
295 HG22 VAL 43 1HG2 VAL 43 10.193 -3.034 2.608
296 HG23 VAL 43 2HG2 VAL 43 9.759 -1.464 3.281
297 H THR 44 H THR 44 14.230 0.130 4.140
298 HA THR 44 HA THR 44 16.466 -1.479 3.983
299 HB THR 44 HB THR 44 16.913 0.611 5.872
300 HG1 THR 44 1HG THR 44 15.463 2.017 5.283
301 HG21 THR 44 3HG2 THR 44 17.501 0.604 2.912
302 HG22 THR 44 1HG2 THR 44 18.457 -0.290 4.093
303 HG23 THR 44 2HG2 THR 44 18.367 1.468 4.182
304 H ARG 45 H ARG 45 15.522 0.003 7.086
305 HA ARG 45 HA ARG 45 16.996 -2.037 8.494
306 HE ARG 45 HE ARG 45 15.025 -1.255 12.720
307 HB2 ARG 45 2HB ARG 45 16.575 0.566 9.003
308 HB3 ARG 45 1HB ARG 45 15.305 -0.128 10.002
309 HG2 ARG 45 2HG ARG 45 17.512 -1.679 10.592
310 HG3 ARG 45 1HG ARG 45 18.171 -0.050 10.430
311 HD2 ARG 45 2HD ARG 45 17.578 -0.021 12.637
312 HD3 ARG 45 1HD ARG 45 16.091 0.583 11.910
313 HH11 ARG 45 1HH1 ARG 45 18.449 -1.990 12.552
314 HH12 ARG 45 2HH1 ARG 45 18.277 -3.572 13.238
315 HH21 ARG 45 1HH2 ARG 45 14.784 -3.317 13.642
316 HH22 ARG 45 2HH2 ARG 45 16.186 -4.341 13.853
317 H GLY 46 H GLY 46 13.839 -1.780 7.407
318 HA2 GLY 46 2HA GLY 46 12.018 -3.166 7.755
319 HA3 GLY 46 1HA GLY 46 12.976 -4.062 8.926
320 H ASP 47 H ASP 47 12.975 -3.441 11.078
321 HA ASP 47 HA ASP 47 11.296 -1.173 11.850
322 HB2 ASP 47 2HB ASP 47 9.773 -3.029 12.057
323 HB3 ASP 47 1HB ASP 47 10.987 -4.003 12.884
Start of MODEL 2
1 HA ASP 1 HA ASP 1 -14.250 -5.990 -8.119
2 H1 ASP 1 1HT ASP 1 -15.298 -7.899 -6.956
3 H2 ASP 1 2HT ASP 1 -16.179 -6.458 -6.860
4 H3 ASP 1 3HT ASP 1 -15.274 -6.995 -5.524
5 HB2 ASP 1 2HB ASP 1 -13.278 -4.989 -5.487
6 HB3 ASP 1 1HB ASP 1 -13.526 -4.119 -6.995
7 H GLN 2 H GLN 2 -12.169 -6.453 -8.669
8 HA GLN 2 HA GLN 2 -10.715 -8.339 -6.954
9 HB2 GLN 2 2HB GLN 2 -11.129 -8.334 -9.670
10 HB3 GLN 2 1HB GLN 2 -9.523 -7.624 -9.545
11 HG2 GLN 2 2HG GLN 2 -9.938 -10.014 -7.900
12 HG3 GLN 2 1HG GLN 2 -10.052 -10.283 -9.638
13 HE21 GLN 2 1HE2 GLN 2 -8.026 -10.943 -7.469
14 HE22 GLN 2 2HE2 GLN 2 -6.514 -10.443 -8.150
15 H GLU 3 H GLU 3 -9.484 -7.344 -5.497
16 HA GLU 3 HA GLU 3 -8.499 -4.674 -6.006
17 HB2 GLU 3 2HB GLU 3 -8.802 -6.413 -3.606
18 HB3 GLU 3 1HB GLU 3 -7.601 -5.128 -3.553
19 HG2 GLU 3 2HG GLU 3 -10.568 -4.907 -3.877
20 HG3 GLU 3 1HG GLU 3 -9.532 -4.181 -2.649
21 H SER 4 H SER 4 -6.674 -4.409 -7.007
22 HA SER 4 HA SER 4 -4.360 -6.020 -6.180
23 HG SER 4 HG SER 4 -6.524 -6.047 -8.331
24 HB2 SER 4 2HB SER 4 -3.942 -5.143 -8.855
25 HB3 SER 4 1HB SER 4 -4.113 -6.802 -8.276
26 H CYS 5 H CYS 5 -2.434 -4.865 -5.963
27 HA CYS 5 HA CYS 5 -2.858 -2.012 -5.679
28 HB2 CYS 5 2HB CYS 5 -1.186 -3.945 -4.383
29 HB3 CYS 5 1HB CYS 5 -0.174 -2.655 -5.028
30 H LYS 6 H LYS 6 -2.392 -0.626 -7.175
31 HA LYS 6 HA LYS 6 0.031 -0.864 -8.747
32 HB2 LYS 6 2HB LYS 6 -2.725 -1.094 -9.860
33 HB3 LYS 6 1HB LYS 6 -1.577 -0.113 -10.759
34 HG2 LYS 6 2HG LYS 6 -0.094 -1.978 -11.010
35 HG3 LYS 6 1HG LYS 6 -1.102 -2.974 -9.957
36 HD2 LYS 6 2HD LYS 6 -2.329 -1.725 -12.362
37 HD3 LYS 6 1HD LYS 6 -1.287 -3.132 -12.577
38 HE2 LYS 6 2HE LYS 6 -2.747 -4.177 -10.694
39 HE3 LYS 6 1HE LYS 6 -3.895 -2.907 -11.125
40 HZ1 LYS 6 3HZ LYS 6 -4.344 -4.950 -12.334
41 HZ2 LYS 6 1HZ LYS 6 -2.779 -4.932 -12.990
42 HZ3 LYS 6 2HZ LYS 6 -3.882 -3.714 -13.403
43 H GLY 7 H GLY 7 -2.792 1.053 -9.527
44 HA2 GLY 7 2HA GLY 7 -1.273 3.500 -9.174
45 HA3 GLY 7 1HA GLY 7 -2.897 3.356 -9.837
46 H ARG 8 H ARG 8 -1.875 2.015 -6.773
47 HA ARG 8 HA ARG 8 -3.378 4.114 -5.373
48 HE ARG 8 HE ARG 8 -6.056 0.787 -3.856
49 HB2 ARG 8 2HB ARG 8 -4.301 2.470 -3.836
50 HB3 ARG 8 1HB ARG 8 -4.758 2.077 -5.486
51 HG2 ARG 8 2HG ARG 8 -2.664 0.526 -5.393
52 HG3 ARG 8 1HG ARG 8 -2.884 0.667 -3.648
53 HD2 ARG 8 2HD ARG 8 -4.355 -0.911 -5.566
54 HD3 ARG 8 1HD ARG 8 -4.364 -0.990 -3.806
55 HH11 ARG 8 1HH1 ARG 8 -5.584 -1.216 -6.691
56 HH12 ARG 8 2HH1 ARG 8 -7.112 -0.801 -7.398
57 HH21 ARG 8 1HH2 ARG 8 -8.076 1.315 -4.782
58 HH22 ARG 8 2HH2 ARG 8 -8.530 0.647 -6.321
59 H CYS 9 H CYS 9 -0.459 3.030 -5.913
60 HA CYS 9 HA CYS 9 0.454 3.546 -3.156
61 HB2 CYS 9 2HB CYS 9 1.104 1.335 -4.425
62 HB3 CYS 9 1HB CYS 9 2.241 2.373 -5.275
63 H THR 10 H THR 10 0.100 4.755 -6.227
64 HA THR 10 HA THR 10 2.373 6.591 -6.055
65 HB THR 10 HB THR 10 1.136 7.012 -8.495
66 HG1 THR 10 1HG THR 10 0.423 5.080 -9.235
67 HG21 THR 10 3HG2 THR 10 3.155 6.395 -9.315
68 HG22 THR 10 1HG2 THR 10 3.151 4.860 -8.446
69 HG23 THR 10 2HG2 THR 10 3.612 6.342 -7.613
70 H GLU 11 H GLU 11 -0.861 6.460 -5.290
71 HA GLU 11 HA GLU 11 -1.335 9.275 -5.979
72 HB2 GLU 11 2HB GLU 11 -3.731 8.774 -5.566
73 HB3 GLU 11 1HB GLU 11 -3.038 7.792 -6.846
74 HG2 GLU 11 2HG GLU 11 -2.888 5.895 -5.372
75 HG3 GLU 11 1HG GLU 11 -3.441 6.869 -4.010
76 H GLY 12 H GLY 12 -0.548 7.265 -3.402
77 HA2 GLY 12 2HA GLY 12 -0.073 7.985 -1.221
78 HA3 GLY 12 1HA GLY 12 -1.102 9.387 -1.481
79 H PHE 13 H PHE 13 -1.045 7.467 0.721
80 HA PHE 13 HA PHE 13 -3.119 5.632 0.671
81 HD1 PHE 13 2HD PHE 13 -4.978 6.131 3.336
82 HD2 PHE 13 1HD PHE 13 -1.286 4.018 3.344
83 HE1 PHE 13 2HE PHE 13 -6.059 4.262 4.507
84 HE2 PHE 13 1HE PHE 13 -2.351 2.146 4.518
85 HZ PHE 13 HZ PHE 13 -4.747 2.261 5.099
86 HB2 PHE 13 2HB PHE 13 -1.335 6.139 2.503
87 HB3 PHE 13 1HB PHE 13 -2.549 7.240 3.141
88 H ASN 14 H ASN 14 -5.091 6.091 -0.055
89 HA ASN 14 HA ASN 14 -6.530 8.379 1.085
90 HB2 ASN 14 2HB ASN 14 -6.617 7.731 -1.423
91 HB3 ASN 14 1HB ASN 14 -7.637 6.395 -0.884
92 HD21 ASN 14 1HD2 ASN 14 -9.577 6.865 -1.494
93 HD22 ASN 14 2HD2 ASN 14 -10.418 8.350 -1.193
94 H VAL 15 H VAL 15 -7.526 7.977 2.951
95 HA VAL 15 HA VAL 15 -7.984 5.251 3.786
96 HB VAL 15 HB VAL 15 -9.069 7.513 5.393
97 HG11 VAL 15 1HG1 VAL 15 -8.835 6.083 7.132
98 HG12 VAL 15 2HG1 VAL 15 -7.308 5.438 6.528
99 HG13 VAL 15 3HG1 VAL 15 -8.836 4.873 5.851
100 HG21 VAL 15 3HG2 VAL 15 -6.325 7.135 6.082
101 HG22 VAL 15 1HG2 VAL 15 -7.152 8.621 5.609
102 HG23 VAL 15 2HG2 VAL 15 -6.433 7.582 4.379
103 H ASP 16 H ASP 16 -9.401 6.000 1.512
104 HA ASP 16 HA ASP 16 -11.984 5.042 2.343
105 HB2 ASP 16 2HB ASP 16 -12.045 7.642 2.134
106 HB3 ASP 16 1HB ASP 16 -11.987 7.332 0.400
107 H LYS 17 H LYS 17 -9.591 4.110 0.996
108 HA LYS 17 HA LYS 17 -10.733 3.363 -1.611
109 HB2 LYS 17 2HB LYS 17 -7.960 3.776 -0.631
110 HB3 LYS 17 1HB LYS 17 -8.203 2.432 -1.737
111 HG2 LYS 17 2HG LYS 17 -9.345 5.054 -2.495
112 HG3 LYS 17 1HG LYS 17 -7.591 4.862 -2.567
113 HD2 LYS 17 2HD LYS 17 -7.718 3.185 -4.170
114 HD3 LYS 17 1HD LYS 17 -9.401 2.815 -3.788
115 HE2 LYS 17 2HE LYS 17 -9.322 3.950 -5.897
116 HE3 LYS 17 1HE LYS 17 -10.041 5.027 -4.700
117 HZ1 LYS 17 3HZ LYS 17 -7.959 5.621 -6.361
118 HZ2 LYS 17 1HZ LYS 17 -7.197 5.342 -4.874
119 HZ3 LYS 17 2HZ LYS 17 -8.429 6.507 -4.995
120 H LYS 18 H LYS 18 -10.614 1.137 -2.205
121 HA LYS 18 HA LYS 18 -11.310 -0.666 -0.164
122 HB2 LYS 18 2HB LYS 18 -10.293 -1.827 -2.682
123 HB3 LYS 18 1HB LYS 18 -11.807 -2.117 -1.837
124 HG2 LYS 18 2HG LYS 18 -12.669 -1.053 -3.622
125 HG3 LYS 18 1HG LYS 18 -12.253 0.384 -2.686
126 HD2 LYS 18 2HD LYS 18 -10.585 0.976 -4.096
127 HD3 LYS 18 1HD LYS 18 -10.094 -0.696 -4.378
128 HE2 LYS 18 2HE LYS 18 -12.458 0.714 -5.612
129 HE3 LYS 18 1HE LYS 18 -10.947 0.302 -6.422
130 HZ1 LYS 18 3HZ LYS 18 -11.509 -2.083 -5.787
131 HZ2 LYS 18 1HZ LYS 18 -12.423 -1.372 -7.032
132 HZ3 LYS 18 2HZ LYS 18 -13.082 -1.507 -5.476
133 H CYS 19 H CYS 19 -8.573 -1.236 -2.380
134 HA CYS 19 HA CYS 19 -7.041 -2.211 -0.073
135 HB2 CYS 19 2HB CYS 19 -7.417 -3.480 -2.414
136 HB3 CYS 19 1HB CYS 19 -5.985 -2.547 -2.833
137 H GLN 20 H GLN 20 -4.744 -1.618 0.051
138 HA GLN 20 HA GLN 20 -4.222 1.045 -1.034
139 HB2 GLN 20 2HB GLN 20 -5.305 0.805 1.413
140 HB3 GLN 20 1HB GLN 20 -3.599 0.680 1.825
141 HG2 GLN 20 2HG GLN 20 -3.937 2.928 1.994
142 HG3 GLN 20 1HG GLN 20 -3.374 2.788 0.327
143 HE21 GLN 20 1HE2 GLN 20 -6.532 1.951 1.613
144 HE22 GLN 20 2HE2 GLN 20 -7.413 3.120 0.702
145 H CYS 21 H CYS 21 -2.129 1.593 -1.305
146 HA CYS 21 HA CYS 21 -0.075 0.048 0.109
147 HB2 CYS 21 2HB CYS 21 -0.223 0.567 -2.859
148 HB3 CYS 21 1HB CYS 21 1.315 0.303 -2.060
149 H ASP 22 H ASP 22 1.008 1.518 1.276
150 HA ASP 22 HA ASP 22 1.992 3.932 0.038
151 HB2 ASP 22 2HB ASP 22 -0.343 4.449 0.966
152 HB3 ASP 22 1HB ASP 22 0.362 4.233 2.562
153 H GLU 23 H GLU 23 3.331 5.195 1.816
154 HA GLU 23 HA GLU 23 4.924 3.418 3.383
155 HB2 GLU 23 2HB GLU 23 6.056 5.393 2.893
156 HB3 GLU 23 1HB GLU 23 4.636 6.393 3.151
157 HG2 GLU 23 2HG GLU 23 5.933 6.952 4.957
158 HG3 GLU 23 1HG GLU 23 4.914 5.684 5.633
159 H LEU 24 H LEU 24 2.079 5.394 3.869
160 HA LEU 24 HA LEU 24 1.864 4.938 6.690
161 HG LEU 24 HG LEU 24 1.817 7.396 5.180
162 HB2 LEU 24 2HB LEU 24 -0.150 5.854 4.645
163 HB3 LEU 24 1HB LEU 24 -0.445 5.822 6.373
164 HD11 LEU 24 1HD1 LEU 24 0.003 8.366 4.083
165 HD12 LEU 24 2HD1 LEU 24 0.211 9.367 5.521
166 HD13 LEU 24 3HD1 LEU 24 -1.067 8.153 5.468
167 HD21 LEU 24 3HD2 LEU 24 1.122 8.731 7.363
168 HD22 LEU 24 1HD2 LEU 24 2.227 7.357 7.420
169 HD23 LEU 24 2HD2 LEU 24 0.527 7.139 7.839
170 H CYS 25 H CYS 25 1.634 2.788 4.257
171 HA CYS 25 HA CYS 25 -0.750 1.392 4.819
172 HB2 CYS 25 2HB CYS 25 -0.068 0.097 3.122
173 HB3 CYS 25 1HB CYS 25 1.369 1.104 3.020
174 H SER 26 H SER 26 2.467 1.328 6.233
175 HA SER 26 HA SER 26 1.961 -0.875 7.970
176 HG SER 26 HG SER 26 4.781 1.786 7.376
177 HB2 SER 26 2HB SER 26 3.980 0.810 9.044
178 HB3 SER 26 1HB SER 26 4.189 -0.696 8.151
179 H TYR 27 H TYR 27 1.665 2.616 8.186
180 HA TYR 27 HA TYR 27 1.155 2.831 10.935
181 HD1 TYR 27 1HD TYR 27 0.999 5.198 12.213
182 HD2 TYR 27 2HD TYR 27 -1.672 5.655 8.927
183 HE1 TYR 27 1HE TYR 27 -0.471 6.599 13.606
184 HE2 TYR 27 2HE TYR 27 -3.141 7.052 10.309
185 HH TYR 27 HH TYR 27 -3.557 7.212 12.968
186 HB2 TYR 27 2HB TYR 27 1.681 4.824 9.726
187 HB3 TYR 27 1HB TYR 27 0.362 4.567 8.588
188 H TYR 28 H TYR 28 -1.047 2.464 8.169
189 HA TYR 28 HA TYR 28 -3.323 2.226 9.965
190 HD1 TYR 28 1HD TYR 28 -5.605 3.392 9.460
191 HD2 TYR 28 2HD TYR 28 -2.657 4.662 6.671
192 HE1 TYR 28 1HE TYR 28 -6.341 5.722 9.756
193 HE2 TYR 28 2HE TYR 28 -3.378 6.994 6.958
194 HH TYR 28 HH TYR 28 -4.814 8.374 7.931
195 HB2 TYR 28 2HB TYR 28 -2.991 2.390 6.988
196 HB3 TYR 28 1HB TYR 28 -4.507 1.825 7.676
197 H GLN 29 H GLN 29 -1.009 0.181 8.699
198 HA GLN 29 HA GLN 29 -0.759 -2.069 8.509
199 HB2 GLN 29 2HB GLN 29 -2.712 -1.761 10.752
200 HB3 GLN 29 1HB GLN 29 -2.322 -3.376 10.173
201 HG2 GLN 29 2HG GLN 29 -0.436 -3.380 11.322
202 HG3 GLN 29 1HG GLN 29 0.090 -1.890 10.541
203 HE21 GLN 29 1HE2 GLN 29 -1.355 0.056 11.437
204 HE22 GLN 29 2HE2 GLN 29 -1.359 0.166 13.164
205 H SER 30 H SER 30 -2.166 -1.149 6.434
206 HA SER 30 HA SER 30 -3.992 -3.330 5.843
207 HG SER 30 HG SER 30 -4.871 -1.082 7.700
208 HB2 SER 30 2HB SER 30 -4.874 -0.456 5.460
209 HB3 SER 30 1HB SER 30 -5.822 -1.908 5.143
210 H CYS 31 H CYS 31 -1.955 -3.692 4.567
211 HA CYS 31 HA CYS 31 -2.157 -2.227 2.012
212 HB2 CYS 31 2HB CYS 31 0.349 -3.590 2.209
213 HB3 CYS 31 1HB CYS 31 0.043 -1.865 2.054
214 H CYS 32 H CYS 32 -1.913 -3.432 0.083
215 HA CYS 32 HA CYS 32 -2.925 -6.112 0.228
216 HB2 CYS 32 2HB CYS 32 -1.796 -5.016 -2.304
217 HB3 CYS 32 1HB CYS 32 -3.264 -5.954 -2.041
218 H THR 33 H THR 33 -1.851 -7.975 -0.761
219 HA THR 33 HA THR 33 0.748 -8.414 0.192
220 HB THR 33 HB THR 33 0.186 -10.176 -1.993
221 HG1 THR 33 1HG THR 33 -1.918 -10.852 -1.303
222 HG21 THR 33 3HG2 THR 33 -0.431 -11.554 0.279
223 HG22 THR 33 1HG2 THR 33 0.576 -10.253 0.914
224 HG23 THR 33 2HG2 THR 33 1.204 -11.320 -0.341
225 H ASP 34 H ASP 34 -0.394 -7.079 -2.786
226 HA ASP 34 HA ASP 34 2.071 -7.514 -4.233
227 HB2 ASP 34 2HB ASP 34 -0.606 -6.964 -4.921
228 HB3 ASP 34 1HB ASP 34 0.341 -5.591 -5.489
229 H TYR 35 H TYR 35 1.778 -5.694 -1.748
230 HA TYR 35 HA TYR 35 2.153 -3.025 -2.613
231 HD1 TYR 35 1HD TYR 35 2.369 -1.053 -1.525
232 HD2 TYR 35 2HD TYR 35 4.253 -3.376 1.489
233 HE1 TYR 35 1HE TYR 35 3.565 0.946 -0.764
234 HE2 TYR 35 2HE TYR 35 5.470 -1.388 2.270
235 HH TYR 35 HH TYR 35 4.665 1.565 1.772
236 HB2 TYR 35 2HB TYR 35 1.442 -3.433 -0.344
237 HB3 TYR 35 1HB TYR 35 2.864 -4.424 -0.025
238 H THR 36 H THR 36 4.388 -5.536 -1.529
239 HA THR 36 HA THR 36 6.715 -3.941 -1.909
240 HB THR 36 HB THR 36 7.677 -6.454 -1.791
241 HG1 THR 36 1HG THR 36 6.223 -7.712 -0.568
242 HG21 THR 36 3HG2 THR 36 6.528 -4.873 0.505
243 HG22 THR 36 1HG2 THR 36 8.131 -4.657 -0.202
244 HG23 THR 36 2HG2 THR 36 7.735 -6.152 0.648
245 H ALA 37 H ALA 37 4.899 -6.177 -3.855
246 HA ALA 37 HA ALA 37 6.872 -6.683 -5.817
247 HB1 ALA 37 3HB ALA 37 3.867 -6.851 -5.903
248 HB2 ALA 37 1HB ALA 37 5.010 -8.165 -5.629
249 HB3 ALA 37 2HB ALA 37 4.919 -7.390 -7.211
250 H GLU 38 H GLU 38 4.168 -4.364 -5.693
251 HA GLU 38 HA GLU 38 4.912 -3.291 -8.267
252 HB2 GLU 38 2HB GLU 38 2.655 -2.879 -6.364
253 HB3 GLU 38 1HB GLU 38 2.979 -1.648 -7.577
254 HG2 GLU 38 2HG GLU 38 2.538 -4.559 -8.190
255 HG3 GLU 38 1HG GLU 38 1.284 -3.323 -8.260
256 H CYS 39 H CYS 39 4.763 -2.004 -4.919
257 HA CYS 39 HA CYS 39 5.840 0.522 -5.828
258 HB2 CYS 39 2HB CYS 39 4.370 -0.316 -3.580
259 HB3 CYS 39 1HB CYS 39 5.925 0.233 -2.961
260 H LYS 40 H LYS 40 6.987 -2.225 -3.927
261 HA LYS 40 HA LYS 40 9.064 -2.924 -3.303
262 HB2 LYS 40 2HB LYS 40 9.110 -2.289 -6.028
263 HB3 LYS 40 1HB LYS 40 10.599 -1.616 -5.377
264 HG2 LYS 40 2HG LYS 40 11.492 -3.640 -4.967
265 HG3 LYS 40 1HG LYS 40 9.941 -4.363 -4.535
266 HD2 LYS 40 2HD LYS 40 9.669 -3.767 -7.220
267 HD3 LYS 40 1HD LYS 40 11.335 -4.331 -7.083
268 HE2 LYS 40 2HE LYS 40 9.846 -6.099 -5.526
269 HE3 LYS 40 1HE LYS 40 8.865 -5.823 -6.964
270 HZ1 LYS 40 3HZ LYS 40 10.451 -6.714 -8.337
271 HZ2 LYS 40 1HZ LYS 40 10.674 -7.671 -6.952
272 HZ3 LYS 40 2HZ LYS 40 11.733 -6.384 -7.279
273 HA PRO 41 HA PRO 41 10.482 1.296 -1.822
274 HB2 PRO 41 2HB PRO 41 9.305 1.526 0.556
275 HB3 PRO 41 1HB PRO 41 8.412 1.873 -0.930
276 HG2 PRO 41 2HG PRO 41 8.344 -0.562 0.798
277 HG3 PRO 41 1HG PRO 41 7.006 0.280 -0.005
278 HD2 PRO 41 2HD PRO 41 8.262 -2.001 -0.969
279 HD3 PRO 41 1HD PRO 41 7.310 -0.872 -1.949
280 H GLN 42 H GLN 42 10.486 -1.886 -0.517
281 HA GLN 42 HA GLN 42 12.588 -1.191 1.412
282 HB2 GLN 42 2HB GLN 42 10.953 -3.728 1.237
283 HB3 GLN 42 1HB GLN 42 12.120 -3.329 2.490
284 HG2 GLN 42 2HG GLN 42 9.597 -1.775 1.952
285 HG3 GLN 42 1HG GLN 42 9.760 -3.034 3.173
286 HE21 GLN 42 1HE2 GLN 42 8.964 -0.545 3.911
287 HE22 GLN 42 2HE2 GLN 42 10.227 0.237 4.809
288 H VAL 43 H VAL 43 14.423 -1.206 0.265
289 HA VAL 43 HA VAL 43 15.020 -3.194 -1.706
290 HB VAL 43 HB VAL 43 17.073 -1.435 -0.383
291 HG11 VAL 43 1HG1 VAL 43 17.456 -3.349 -2.177
292 HG12 VAL 43 2HG1 VAL 43 18.390 -1.852 -2.197
293 HG13 VAL 43 3HG1 VAL 43 17.017 -2.053 -3.288
294 HG21 VAL 43 3HG2 VAL 43 14.829 -0.326 -1.325
295 HG22 VAL 43 1HG2 VAL 43 15.728 -0.465 -2.838
296 HG23 VAL 43 2HG2 VAL 43 16.410 0.437 -1.485
297 H THR 44 H THR 44 15.370 -5.228 -1.130
298 HA THR 44 HA THR 44 16.272 -5.973 1.474
299 HB THR 44 HB THR 44 16.505 -8.191 -0.236
300 HG1 THR 44 1HG THR 44 13.989 -7.146 -0.797
301 HG21 THR 44 3HG2 THR 44 14.552 -7.192 1.784
302 HG22 THR 44 1HG2 THR 44 15.555 -8.642 1.804
303 HG23 THR 44 2HG2 THR 44 14.104 -8.588 0.803
304 H ARG 45 H ARG 45 18.324 -5.137 1.786
305 HA ARG 45 HA ARG 45 20.508 -5.654 0.014
306 HE ARG 45 HE ARG 45 21.638 -2.309 -1.239
307 HB2 ARG 45 2HB ARG 45 20.145 -4.424 2.684
308 HB3 ARG 45 1HB ARG 45 21.722 -5.138 2.386
309 HG2 ARG 45 2HG ARG 45 20.398 -3.048 0.673
310 HG3 ARG 45 1HG ARG 45 21.665 -2.754 1.864
311 HD2 ARG 45 2HD ARG 45 23.254 -3.322 0.413
312 HD3 ARG 45 1HD ARG 45 22.442 -4.842 0.038
313 HH11 ARG 45 1HH1 ARG 45 22.778 -5.613 -1.488
314 HH12 ARG 45 2HH1 ARG 45 22.383 -5.754 -3.179
315 HH21 ARG 45 1HH2 ARG 45 21.145 -2.469 -3.441
316 HH22 ARG 45 2HH2 ARG 45 21.462 -3.952 -4.302
317 H GLY 46 H GLY 46 20.154 -6.691 3.395
318 HA2 GLY 46 2HA GLY 46 20.095 -8.996 4.056
319 HA3 GLY 46 1HA GLY 46 20.966 -9.398 2.586
320 H ASP 47 H ASP 47 21.263 -9.195 5.808
321 HA ASP 47 HA ASP 47 24.178 -8.893 5.614
322 HB2 ASP 47 2HB ASP 47 23.556 -6.887 6.696
323 HB3 ASP 47 1HB ASP 47 22.302 -7.684 7.636
Start of MODEL 3
1 HA ASP 1 HA ASP 1 -11.843 -8.995 -2.137
2 H1 ASP 1 1HT ASP 1 -12.410 -7.134 -3.691
3 H2 ASP 1 2HT ASP 1 -13.573 -7.498 -2.514
4 H3 ASP 1 3HT ASP 1 -13.799 -8.012 -4.112
5 HB2 ASP 1 2HB ASP 1 -12.892 -11.161 -2.623
6 HB3 ASP 1 1HB ASP 1 -14.081 -9.989 -2.066
7 H GLN 2 H GLN 2 -11.169 -7.588 -4.708
8 HA GLN 2 HA GLN 2 -9.278 -9.553 -5.650
9 HB2 GLN 2 2HB GLN 2 -11.737 -9.373 -7.001
10 HB3 GLN 2 1HB GLN 2 -10.579 -8.512 -8.007
11 HG2 GLN 2 2HG GLN 2 -9.695 -10.407 -8.724
12 HG3 GLN 2 1HG GLN 2 -9.441 -10.975 -7.072
13 HE21 GLN 2 1HE2 GLN 2 -11.579 -11.666 -5.987
14 HE22 GLN 2 2HE2 GLN 2 -12.590 -12.692 -6.951
15 H GLU 3 H GLU 3 -9.606 -6.738 -4.535
16 HA GLU 3 HA GLU 3 -8.709 -4.971 -6.587
17 HB2 GLU 3 2HB GLU 3 -8.800 -4.652 -3.584
18 HB3 GLU 3 1HB GLU 3 -8.404 -3.362 -4.711
19 HG2 GLU 3 2HG GLU 3 -10.604 -2.923 -4.426
20 HG3 GLU 3 1HG GLU 3 -10.727 -4.065 -5.762
21 H SER 4 H SER 4 -6.863 -6.080 -7.372
22 HA SER 4 HA SER 4 -4.559 -6.454 -5.739
23 HG SER 4 HG SER 4 -6.126 -7.873 -7.658
24 HB2 SER 4 2HB SER 4 -4.691 -6.260 -8.757
25 HB3 SER 4 1HB SER 4 -3.428 -7.026 -7.792
26 H CYS 5 H CYS 5 -2.929 -5.071 -5.340
27 HA CYS 5 HA CYS 5 -3.466 -2.304 -5.698
28 HB2 CYS 5 2HB CYS 5 -2.032 -3.733 -3.887
29 HB3 CYS 5 1HB CYS 5 -0.740 -3.062 -4.876
30 H LYS 6 H LYS 6 -2.361 -0.770 -6.873
31 HA LYS 6 HA LYS 6 -0.135 -1.592 -8.549
32 HB2 LYS 6 2HB LYS 6 -2.782 -0.693 -9.541
33 HB3 LYS 6 1HB LYS 6 -1.371 -0.014 -10.344
34 HG2 LYS 6 2HG LYS 6 -0.634 -2.550 -10.395
35 HG3 LYS 6 1HG LYS 6 -2.378 -2.799 -10.307
36 HD2 LYS 6 2HD LYS 6 -1.386 -0.797 -12.252
37 HD3 LYS 6 1HD LYS 6 -1.083 -2.496 -12.619
38 HE2 LYS 6 2HE LYS 6 -3.315 -2.986 -12.832
39 HE3 LYS 6 1HE LYS 6 -3.813 -1.679 -11.757
40 HZ1 LYS 6 3HZ LYS 6 -2.529 -0.796 -14.188
41 HZ2 LYS 6 1HZ LYS 6 -3.952 -0.245 -13.443
42 HZ3 LYS 6 2HZ LYS 6 -3.993 -1.615 -14.440
43 H GLY 7 H GLY 7 -1.731 1.407 -9.243
44 HA2 GLY 7 2HA GLY 7 0.676 2.772 -8.336
45 HA3 GLY 7 1HA GLY 7 -0.568 3.434 -9.382
46 H ARG 8 H ARG 8 -1.103 1.924 -6.227
47 HA ARG 8 HA ARG 8 -2.556 4.224 -5.320
48 HE ARG 8 HE ARG 8 -6.229 1.903 -5.733
49 HB2 ARG 8 2HB ARG 8 -1.602 1.875 -3.669
50 HB3 ARG 8 1HB ARG 8 -2.858 3.023 -3.229
51 HG2 ARG 8 2HG ARG 8 -3.426 1.740 -5.753
52 HG3 ARG 8 1HG ARG 8 -3.203 0.570 -4.449
53 HD2 ARG 8 2HD ARG 8 -5.293 1.004 -3.815
54 HD3 ARG 8 1HD ARG 8 -4.746 2.610 -3.337
55 HH11 ARG 8 1HH1 ARG 8 -4.488 4.380 -3.964
56 HH12 ARG 8 2HH1 ARG 8 -5.082 5.675 -4.955
57 HH21 ARG 8 1HH2 ARG 8 -7.065 3.619 -6.985
58 HH22 ARG 8 2HH2 ARG 8 -6.537 5.248 -6.662
59 H CYS 9 H CYS 9 0.709 3.152 -5.173
60 HA CYS 9 HA CYS 9 1.447 4.506 -2.767
61 HB2 CYS 9 2HB CYS 9 2.726 2.807 -4.761
62 HB3 CYS 9 1HB CYS 9 3.776 4.116 -4.230
63 H THR 10 H THR 10 1.127 5.383 -6.073
64 HA THR 10 HA THR 10 2.823 7.719 -5.845
65 HB THR 10 HB THR 10 1.687 8.028 -8.249
66 HG1 THR 10 1HG THR 10 0.727 6.253 -8.948
67 HG21 THR 10 3HG2 THR 10 4.086 7.655 -7.708
68 HG22 THR 10 1HG2 THR 10 3.560 6.829 -9.177
69 HG23 THR 10 2HG2 THR 10 3.763 5.919 -7.678
70 H GLU 11 H GLU 11 -0.592 6.897 -6.034
71 HA GLU 11 HA GLU 11 -1.544 9.576 -6.144
72 HB2 GLU 11 2HB GLU 11 -2.934 7.057 -5.212
73 HB3 GLU 11 1HB GLU 11 -3.729 8.589 -5.545
74 HG2 GLU 11 2HG GLU 11 -3.265 8.429 -7.858
75 HG3 GLU 11 1HG GLU 11 -2.160 7.079 -7.608
76 H GLY 12 H GLY 12 -1.029 7.236 -3.548
77 HA2 GLY 12 2HA GLY 12 -0.195 8.188 -1.419
78 HA3 GLY 12 1HA GLY 12 -1.445 9.415 -1.598
79 H PHE 13 H PHE 13 -1.523 8.152 0.721
80 HA PHE 13 HA PHE 13 -3.094 5.762 0.631
81 HD1 PHE 13 1HD PHE 13 -5.123 6.212 3.318
82 HD2 PHE 13 2HD PHE 13 -1.274 4.395 3.307
83 HE1 PHE 13 1HE PHE 13 -6.060 4.254 4.458
84 HE2 PHE 13 2HE PHE 13 -2.205 2.415 4.443
85 HZ PHE 13 HZ PHE 13 -4.604 2.344 5.019
86 HB2 PHE 13 2HB PHE 13 -1.501 6.553 2.524
87 HB3 PHE 13 1HB PHE 13 -2.873 7.520 3.063
88 H ASN 14 H ASN 14 -5.058 5.909 -0.221
89 HA ASN 14 HA ASN 14 -6.832 8.084 0.513
90 HB2 ASN 14 2HB ASN 14 -6.655 6.110 -1.627
91 HB3 ASN 14 1HB ASN 14 -8.283 6.234 -0.964
92 HD21 ASN 14 1HD2 ASN 14 -9.389 8.138 -1.135
93 HD22 ASN 14 2HD2 ASN 14 -8.917 9.397 -2.230
94 H VAL 15 H VAL 15 -7.533 7.821 2.594
95 HA VAL 15 HA VAL 15 -8.088 5.198 3.661
96 HB VAL 15 HB VAL 15 -9.058 7.625 5.086
97 HG11 VAL 15 1HG1 VAL 15 -8.076 4.918 5.721
98 HG12 VAL 15 2HG1 VAL 15 -9.355 5.866 6.478
99 HG13 VAL 15 3HG1 VAL 15 -7.666 6.187 6.876
100 HG21 VAL 15 3HG2 VAL 15 -6.435 7.427 5.917
101 HG22 VAL 15 1HG2 VAL 15 -7.109 8.703 4.905
102 HG23 VAL 15 2HG2 VAL 15 -6.321 7.310 4.163
103 H ASP 16 H ASP 16 -9.538 5.300 1.531
104 HA ASP 16 HA ASP 16 -12.254 5.153 2.511
105 HB2 ASP 16 2HB ASP 16 -13.254 6.700 1.132
106 HB3 ASP 16 1HB ASP 16 -11.720 7.512 1.424
107 H LYS 17 H LYS 17 -9.869 4.590 0.017
108 HA LYS 17 HA LYS 17 -11.480 2.728 -1.439
109 HB2 LYS 17 2HB LYS 17 -8.631 3.625 -1.549
110 HB3 LYS 17 1HB LYS 17 -9.062 2.105 -2.323
111 HG2 LYS 17 2HG LYS 17 -10.300 4.790 -2.903
112 HG3 LYS 17 1HG LYS 17 -9.109 3.955 -3.903
113 HD2 LYS 17 2HD LYS 17 -10.907 3.160 -4.996
114 HD3 LYS 17 1HD LYS 17 -11.035 2.046 -3.636
115 HE2 LYS 17 2HE LYS 17 -13.150 3.269 -4.293
116 HE3 LYS 17 1HE LYS 17 -12.700 3.351 -2.591
117 HZ1 LYS 17 3HZ LYS 17 -13.187 5.465 -4.333
118 HZ2 LYS 17 1HZ LYS 17 -11.532 5.516 -3.974
119 HZ3 LYS 17 2HZ LYS 17 -12.671 5.554 -2.719
120 H LYS 18 H LYS 18 -10.656 0.422 -1.740
121 HA LYS 18 HA LYS 18 -10.923 -0.720 0.885
122 HB2 LYS 18 2HB LYS 18 -10.518 -2.431 -1.523
123 HB3 LYS 18 1HB LYS 18 -11.604 -2.655 -0.158
124 HG2 LYS 18 2HG LYS 18 -11.978 -0.637 -2.365
125 HG3 LYS 18 1HG LYS 18 -12.802 -2.192 -2.245
126 HD2 LYS 18 2HD LYS 18 -13.515 -1.309 0.108
127 HD3 LYS 18 1HD LYS 18 -13.141 0.271 -0.584
128 HE2 LYS 18 2HE LYS 18 -15.339 0.127 -1.161
129 HE3 LYS 18 1HE LYS 18 -14.622 -0.654 -2.569
130 HZ1 LYS 18 3HZ LYS 18 -15.170 -2.765 -1.758
131 HZ2 LYS 18 1HZ LYS 18 -16.560 -1.831 -1.474
132 HZ3 LYS 18 2HZ LYS 18 -15.503 -2.187 -0.198
133 H CYS 19 H CYS 19 -8.665 -1.448 -1.787
134 HA CYS 19 HA CYS 19 -6.733 -2.346 0.222
135 HB2 CYS 19 2HB CYS 19 -7.421 -3.491 -2.148
136 HB3 CYS 19 1HB CYS 19 -6.015 -2.551 -2.638
137 H GLN 20 H GLN 20 -4.750 -1.385 0.492
138 HA GLN 20 HA GLN 20 -4.373 1.172 -0.903
139 HB2 GLN 20 2HB GLN 20 -5.296 0.930 1.674
140 HB3 GLN 20 1HB GLN 20 -3.567 1.147 1.909
141 HG2 GLN 20 2HG GLN 20 -4.977 3.223 1.927
142 HG3 GLN 20 1HG GLN 20 -3.574 3.232 0.861
143 HE21 GLN 20 1HE2 GLN 20 -6.972 2.230 0.731
144 HE22 GLN 20 2HE2 GLN 20 -7.290 2.918 -0.817
145 H CYS 21 H CYS 21 -2.310 1.734 -1.365
146 HA CYS 21 HA CYS 21 -0.144 0.329 0.030
147 HB2 CYS 21 2HB CYS 21 -0.316 0.851 -2.949
148 HB3 CYS 21 1HB CYS 21 1.153 0.355 -2.121
149 H ASP 22 H ASP 22 0.956 1.818 1.069
150 HA ASP 22 HA ASP 22 1.871 4.206 -0.263
151 HB2 ASP 22 2HB ASP 22 -0.385 4.763 0.786
152 HB3 ASP 22 1HB ASP 22 0.370 4.486 2.351
153 H GLU 23 H GLU 23 3.372 5.440 1.432
154 HA GLU 23 HA GLU 23 5.020 3.574 2.827
155 HB2 GLU 23 2HB GLU 23 6.066 5.605 3.843
156 HB3 GLU 23 1HB GLU 23 6.024 5.642 2.087
157 HG2 GLU 23 2HG GLU 23 4.737 7.468 2.034
158 HG3 GLU 23 1HG GLU 23 3.713 6.904 3.355
159 H LEU 24 H LEU 24 2.195 5.418 3.500
160 HA LEU 24 HA LEU 24 2.170 4.983 6.348
161 HG LEU 24 HG LEU 24 1.726 7.046 6.794
162 HB2 LEU 24 2HB LEU 24 0.424 6.240 4.316
163 HB3 LEU 24 1HB LEU 24 -0.385 5.612 5.741
164 HD11 LEU 24 1HD1 LEU 24 1.382 9.297 5.688
165 HD12 LEU 24 2HD1 LEU 24 0.658 8.414 4.343
166 HD13 LEU 24 3HD1 LEU 24 2.340 8.121 4.787
167 HD21 LEU 24 3HD2 LEU 24 -0.126 8.757 7.239
168 HD22 LEU 24 1HD2 LEU 24 -0.364 7.114 7.836
169 HD23 LEU 24 2HD2 LEU 24 -1.179 7.645 6.363
170 H CYS 25 H CYS 25 2.133 2.698 4.206
171 HA CYS 25 HA CYS 25 -0.343 1.382 4.470
172 HB2 CYS 25 2HB CYS 25 0.609 0.160 2.860
173 HB3 CYS 25 1HB CYS 25 2.179 0.865 3.212
174 H SER 26 H SER 26 2.717 0.977 6.244
175 HA SER 26 HA SER 26 1.789 -1.030 7.996
176 HG SER 26 HG SER 26 4.944 -0.445 6.939
177 HB2 SER 26 2HB SER 26 3.849 0.700 9.116
178 HB3 SER 26 1HB SER 26 3.933 -1.008 8.678
179 H TYR 27 H TYR 27 1.463 2.391 7.944
180 HA TYR 27 HA TYR 27 0.930 2.942 10.650
181 HD1 TYR 27 2HD TYR 27 1.460 5.773 11.177
182 HD2 TYR 27 1HD TYR 27 -2.065 5.318 8.847
183 HE1 TYR 27 2HE TYR 27 0.378 7.564 12.469
184 HE2 TYR 27 1HE TYR 27 -3.152 7.114 10.119
185 HH TYR 27 HH TYR 27 -2.574 8.092 12.808
186 HB2 TYR 27 2HB TYR 27 1.478 4.643 8.966
187 HB3 TYR 27 1HB TYR 27 -0.032 4.317 8.132
188 H TYR 28 H TYR 28 -1.160 1.932 7.975
189 HA TYR 28 HA TYR 28 -3.429 1.842 9.843
190 HD1 TYR 28 1HD TYR 28 -5.946 2.797 9.297
191 HD2 TYR 28 2HD TYR 28 -2.918 4.396 6.767
192 HE1 TYR 28 1HE TYR 28 -6.811 5.063 9.707
193 HE2 TYR 28 2HE TYR 28 -3.773 6.670 7.167
194 HH TYR 28 HH TYR 28 -5.184 7.788 9.178
195 HB2 TYR 28 2HB TYR 28 -3.224 2.086 6.865
196 HB3 TYR 28 1HB TYR 28 -4.681 1.397 7.573
197 H GLN 29 H GLN 29 -1.193 -0.133 8.250
198 HA GLN 29 HA GLN 29 -0.936 -2.358 7.952
199 HB2 GLN 29 2HB GLN 29 -2.249 -2.044 10.485
200 HB3 GLN 29 1HB GLN 29 -2.840 -3.507 9.709
201 HG2 GLN 29 2HG GLN 29 0.015 -2.811 10.345
202 HG3 GLN 29 1HG GLN 29 -0.975 -4.060 11.099
203 HE21 GLN 29 1HE2 GLN 29 -1.471 -5.948 9.903
204 HE22 GLN 29 2HE2 GLN 29 -0.499 -6.417 8.550
205 H SER 30 H SER 30 -2.668 -1.094 6.199
206 HA SER 30 HA SER 30 -4.604 -3.229 5.626
207 HG SER 30 HG SER 30 -5.042 -1.345 7.393
208 HB2 SER 30 2HB SER 30 -5.108 -0.343 4.938
209 HB3 SER 30 1HB SER 30 -6.267 -1.670 5.002
210 H CYS 31 H CYS 31 -2.010 -3.193 4.622
211 HA CYS 31 HA CYS 31 -2.226 -2.147 1.898
212 HB2 CYS 31 2HB CYS 31 0.242 -3.493 2.293
213 HB3 CYS 31 1HB CYS 31 -0.041 -1.764 2.124
214 H CYS 32 H CYS 32 -1.959 -3.474 0.072
215 HA CYS 32 HA CYS 32 -3.005 -6.119 0.322
216 HB2 CYS 32 2HB CYS 32 -1.660 -5.155 -2.168
217 HB3 CYS 32 1HB CYS 32 -3.123 -6.121 -1.991
218 H THR 33 H THR 33 -1.926 -8.094 -0.325
219 HA THR 33 HA THR 33 0.566 -8.457 0.870
220 HB THR 33 HB THR 33 0.226 -10.511 -1.045
221 HG1 THR 33 1HG THR 33 -1.973 -11.017 -0.752
222 HG21 THR 33 3HG2 THR 33 0.899 -11.357 0.944
223 HG22 THR 33 1HG2 THR 33 -0.832 -11.538 1.224
224 HG23 THR 33 2HG2 THR 33 0.025 -10.143 1.875
225 H ASP 34 H ASP 34 -0.277 -7.864 -2.506
226 HA ASP 34 HA ASP 34 2.506 -8.156 -3.309
227 HB2 ASP 34 2HB ASP 34 -0.060 -8.321 -4.645
228 HB3 ASP 34 1HB ASP 34 1.063 -7.289 -5.527
229 H TYR 35 H TYR 35 2.015 -6.109 -1.539
230 HA TYR 35 HA TYR 35 1.760 -3.575 -2.801
231 HD1 TYR 35 2HD TYR 35 1.798 -1.200 -1.491
232 HD2 TYR 35 1HD TYR 35 4.442 -3.489 0.920
233 HE1 TYR 35 2HE TYR 35 2.972 0.855 -0.856
234 HE2 TYR 35 1HE TYR 35 5.631 -1.439 1.573
235 HH TYR 35 HH TYR 35 4.424 1.574 1.217
236 HB2 TYR 35 2HB TYR 35 1.251 -3.593 -0.509
237 HB3 TYR 35 1HB TYR 35 2.666 -4.552 -0.105
238 H THR 36 H THR 36 4.436 -5.600 -1.770
239 HA THR 36 HA THR 36 6.528 -3.796 -2.314
240 HB THR 36 HB THR 36 7.614 -6.323 -2.594
241 HG1 THR 36 1HG THR 36 5.694 -7.399 -2.178
242 HG21 THR 36 3HG2 THR 36 6.986 -5.007 0.041
243 HG22 THR 36 1HG2 THR 36 8.241 -4.423 -1.050
244 HG23 THR 36 2HG2 THR 36 8.363 -6.036 -0.349
245 H ALA 37 H ALA 37 4.781 -6.090 -4.273
246 HA ALA 37 HA ALA 37 6.599 -6.265 -6.427
247 HB1 ALA 37 3HB ALA 37 4.115 -6.747 -7.513
248 HB2 ALA 37 1HB ALA 37 3.904 -7.163 -5.811
249 HB3 ALA 37 2HB ALA 37 5.170 -7.944 -6.761
250 H GLU 38 H GLU 38 3.811 -4.157 -5.826
251 HA GLU 38 HA GLU 38 4.171 -2.957 -8.461
252 HB2 GLU 38 2HB GLU 38 1.971 -2.620 -6.422
253 HB3 GLU 38 1HB GLU 38 2.007 -1.833 -7.996
254 HG2 GLU 38 2HG GLU 38 1.851 -4.781 -7.439
255 HG3 GLU 38 1HG GLU 38 0.586 -3.752 -8.105
256 H CYS 39 H CYS 39 4.316 -2.058 -5.055
257 HA CYS 39 HA CYS 39 4.812 0.716 -5.700
258 HB2 CYS 39 2HB CYS 39 3.590 0.017 -3.635
259 HB3 CYS 39 1HB CYS 39 5.091 -0.675 -3.030
260 H LYS 40 H LYS 40 6.657 -2.005 -4.377
261 HA LYS 40 HA LYS 40 8.881 -2.316 -3.982
262 HB2 LYS 40 2HB LYS 40 8.436 -1.791 -6.696
263 HB3 LYS 40 1HB LYS 40 9.873 -0.864 -6.285
264 HG2 LYS 40 2HG LYS 40 11.133 -2.712 -5.927
265 HG3 LYS 40 1HG LYS 40 9.768 -3.667 -5.345
266 HD2 LYS 40 2HD LYS 40 9.538 -2.910 -8.156
267 HD3 LYS 40 1HD LYS 40 10.957 -3.902 -7.813
268 HE2 LYS 40 2HE LYS 40 8.631 -4.911 -6.441
269 HE3 LYS 40 1HE LYS 40 8.329 -4.765 -8.172
270 HZ1 LYS 40 3HZ LYS 40 9.245 -6.931 -7.570
271 HZ2 LYS 40 1HZ LYS 40 10.638 -6.186 -6.956
272 HZ3 LYS 40 2HZ LYS 40 10.283 -6.092 -8.612
273 HA PRO 41 HA PRO 41 9.272 2.152 -2.626
274 HB2 PRO 41 2HB PRO 41 9.138 1.791 0.040
275 HB3 PRO 41 1HB PRO 41 7.694 1.883 -0.975
276 HG2 PRO 41 2HG PRO 41 9.073 -0.523 0.147
277 HG3 PRO 41 1HG PRO 41 7.339 -0.177 0.032
278 HD2 PRO 41 2HD PRO 41 8.685 -1.794 -1.714
279 HD3 PRO 41 1HD PRO 41 7.220 -0.888 -2.143
280 H GLN 42 H GLN 42 11.217 -0.452 -2.595
281 HA GLN 42 HA GLN 42 13.433 -0.801 -2.285
282 HB2 GLN 42 2HB GLN 42 13.198 2.011 -2.708
283 HB3 GLN 42 1HB GLN 42 14.404 1.747 -1.458
284 HG2 GLN 42 2HG GLN 42 14.405 0.838 -4.307
285 HG3 GLN 42 1HG GLN 42 15.620 1.768 -3.435
286 HE21 GLN 42 1HE2 GLN 42 16.201 0.333 -1.266
287 HE22 GLN 42 2HE2 GLN 42 16.779 -1.240 -1.692
288 H VAL 43 H VAL 43 12.758 -2.003 -0.402
289 HA VAL 43 HA VAL 43 12.928 -0.835 2.196
290 HB VAL 43 HB VAL 43 13.167 -3.738 1.382
291 HG11 VAL 43 1HG1 VAL 43 12.245 -3.150 4.081
292 HG12 VAL 43 2HG1 VAL 43 13.900 -2.611 3.784
293 HG13 VAL 43 3HG1 VAL 43 13.461 -4.304 3.526
294 HG21 VAL 43 3HG2 VAL 43 10.765 -3.190 2.761
295 HG22 VAL 43 1HG2 VAL 43 10.967 -3.681 1.078
296 HG23 VAL 43 2HG2 VAL 43 10.932 -1.967 1.500
297 H THR 44 H THR 44 14.721 -0.044 3.010
298 HA THR 44 HA THR 44 17.258 -1.437 2.577
299 HB THR 44 HB THR 44 17.314 1.521 2.375
300 HG1 THR 44 1HG THR 44 15.590 0.847 0.945
301 HG21 THR 44 3HG2 THR 44 18.851 0.318 0.373
302 HG22 THR 44 1HG2 THR 44 19.015 -0.734 1.781
303 HG23 THR 44 2HG2 THR 44 19.429 0.974 1.903
304 H ARG 45 H ARG 45 18.687 -1.243 4.261
305 HA ARG 45 HA ARG 45 17.939 0.583 6.447
306 HE ARG 45 HE ARG 45 21.682 -2.600 8.545
307 HB2 ARG 45 2HB ARG 45 19.179 -1.045 7.956
308 HB3 ARG 45 1HB ARG 45 17.640 -1.610 7.326
309 HG2 ARG 45 2HG ARG 45 18.606 -3.203 6.008
310 HG3 ARG 45 1HG ARG 45 20.111 -2.300 5.827
311 HD2 ARG 45 2HD ARG 45 19.469 -3.185 8.564
312 HD3 ARG 45 1HD ARG 45 19.820 -4.472 7.414
313 HH11 ARG 45 1HH1 ARG 45 21.037 -4.711 5.826
314 HH12 ARG 45 2HH1 ARG 45 22.699 -4.817 5.343
315 HH21 ARG 45 1HH2 ARG 45 23.854 -2.721 7.922
316 HH22 ARG 45 2HH2 ARG 45 24.307 -3.647 6.520
317 H GLY 46 H GLY 46 19.475 2.001 7.093
318 HA2 GLY 46 2HA GLY 46 21.680 2.542 5.451
319 HA3 GLY 46 1HA GLY 46 21.429 3.211 7.055
320 H ASP 47 H ASP 47 21.779 1.422 8.823
321 HA ASP 47 HA ASP 47 23.995 -0.351 8.125
322 HB2 ASP 47 2HB ASP 47 25.271 1.437 8.941
323 HB3 ASP 47 1HB ASP 47 24.068 1.859 10.157
Start of MODEL 4
1 HA ASP 1 HA ASP 1 -11.684 -7.741 -6.063
2 H1 ASP 1 1HT ASP 1 -12.985 -6.138 -4.443
3 H2 ASP 1 2HT ASP 1 -13.409 -7.764 -4.655
4 H3 ASP 1 3HT ASP 1 -14.266 -6.547 -5.473
5 HB2 ASP 1 2HB ASP 1 -14.156 -7.452 -7.344
6 HB3 ASP 1 1HB ASP 1 -13.070 -6.372 -8.216
7 H GLN 2 H GLN 2 -10.837 -5.907 -4.573
8 HA GLN 2 HA GLN 2 -9.777 -3.831 -6.332
9 HB2 GLN 2 2HB GLN 2 -11.688 -3.354 -4.131
10 HB3 GLN 2 1HB GLN 2 -10.251 -2.341 -4.094
11 HG2 GLN 2 2HG GLN 2 -12.236 -2.585 -6.336
12 HG3 GLN 2 1HG GLN 2 -12.000 -1.202 -5.267
13 HE21 GLN 2 1HE2 GLN 2 -11.475 -2.197 -8.272
14 HE22 GLN 2 2HE2 GLN 2 -10.028 -1.325 -8.655
15 H GLU 3 H GLU 3 -8.903 -6.259 -4.885
16 HA GLU 3 HA GLU 3 -7.136 -5.189 -2.825
17 HB2 GLU 3 2HB GLU 3 -6.655 -7.804 -2.660
18 HB3 GLU 3 1HB GLU 3 -8.030 -7.053 -1.867
19 HG2 GLU 3 2HG GLU 3 -8.524 -7.967 -4.616
20 HG3 GLU 3 1HG GLU 3 -8.174 -9.238 -3.448
21 H SER 4 H SER 4 -6.406 -4.355 -5.281
22 HA SER 4 HA SER 4 -3.834 -5.708 -5.595
23 HG SER 4 HG SER 4 -5.877 -7.152 -6.836
24 HB2 SER 4 2HB SER 4 -5.082 -4.743 -8.109
25 HB3 SER 4 1HB SER 4 -4.037 -6.132 -7.830
26 H CYS 5 H CYS 5 -2.153 -4.339 -6.054
27 HA CYS 5 HA CYS 5 -2.781 -1.481 -5.899
28 HB2 CYS 5 2HB CYS 5 -0.088 -2.809 -5.521
29 HB3 CYS 5 1HB CYS 5 -0.531 -1.156 -5.106
30 H LYS 6 H LYS 6 -2.425 -0.155 -7.576
31 HA LYS 6 HA LYS 6 -0.703 -1.128 -9.762
32 HB2 LYS 6 2HB LYS 6 -2.876 0.842 -10.333
33 HB3 LYS 6 1HB LYS 6 -2.162 -0.370 -11.388
34 HG2 LYS 6 2HG LYS 6 -3.542 -1.623 -9.198
35 HG3 LYS 6 1HG LYS 6 -4.605 -0.504 -10.055
36 HD2 LYS 6 2HD LYS 6 -4.806 -1.922 -11.753
37 HD3 LYS 6 1HD LYS 6 -3.054 -2.004 -11.942
38 HE2 LYS 6 2HE LYS 6 -3.679 -3.514 -9.652
39 HE3 LYS 6 1HE LYS 6 -4.863 -3.960 -10.879
40 HZ1 LYS 6 3HZ LYS 6 -1.909 -4.012 -11.217
41 HZ2 LYS 6 1HZ LYS 6 -3.044 -4.426 -12.409
42 HZ3 LYS 6 2HZ LYS 6 -2.915 -5.365 -11.006
43 H GLY 7 H GLY 7 -2.261 1.942 -8.844
44 HA2 GLY 7 2HA GLY 7 0.391 3.232 -9.010
45 HA3 GLY 7 1HA GLY 7 -1.124 4.032 -9.429
46 H ARG 8 H ARG 8 -0.733 1.896 -6.719
47 HA ARG 8 HA ARG 8 -1.573 4.072 -4.965
48 HE ARG 8 HE ARG 8 -4.972 1.429 -6.908
49 HB2 ARG 8 2HB ARG 8 -1.449 1.367 -3.817
50 HB3 ARG 8 1HB ARG 8 -2.738 2.560 -3.743
51 HG2 ARG 8 2HG ARG 8 -2.831 1.747 -6.354
52 HG3 ARG 8 1HG ARG 8 -2.392 0.265 -5.500
53 HD2 ARG 8 2HD ARG 8 -4.359 0.179 -4.345
54 HD3 ARG 8 1HD ARG 8 -4.572 1.927 -4.358
55 HH11 ARG 8 1HH1 ARG 8 -6.083 -0.389 -4.124
56 HH12 ARG 8 2HH1 ARG 8 -7.521 -0.956 -4.907
57 HH21 ARG 8 1HH2 ARG 8 -6.895 0.716 -7.919
58 HH22 ARG 8 2HH2 ARG 8 -8.001 -0.303 -7.054
59 H CYS 9 H CYS 9 0.818 4.531 -5.573
60 HA CYS 9 HA CYS 9 2.082 4.462 -3.013
61 HB2 CYS 9 2HB CYS 9 2.807 2.365 -4.697
62 HB3 CYS 9 1HB CYS 9 4.099 3.543 -4.909
63 H THR 10 H THR 10 1.074 6.514 -4.390
64 HA THR 10 HA THR 10 3.305 8.224 -4.915
65 HB THR 10 HB THR 10 1.918 8.638 -7.296
66 HG1 THR 10 1HG THR 10 1.142 6.763 -7.868
67 HG21 THR 10 3HG2 THR 10 4.034 7.454 -8.260
68 HG22 THR 10 1HG2 THR 10 4.554 7.435 -6.575
69 HG23 THR 10 2HG2 THR 10 4.199 8.967 -7.372
70 H GLU 11 H GLU 11 -0.159 7.653 -5.114
71 HA GLU 11 HA GLU 11 -0.872 10.424 -5.315
72 HB2 GLU 11 2HB GLU 11 -2.568 8.018 -4.632
73 HB3 GLU 11 1HB GLU 11 -3.175 9.609 -5.056
74 HG2 GLU 11 2HG GLU 11 -1.362 8.285 -6.978
75 HG3 GLU 11 1HG GLU 11 -2.993 7.634 -6.806
76 H GLY 12 H GLY 12 -0.403 8.158 -2.732
77 HA2 GLY 12 2HA GLY 12 -0.189 9.040 -0.457
78 HA3 GLY 12 1HA GLY 12 -1.543 10.107 -0.832
79 H PHE 13 H PHE 13 -1.636 8.404 1.367
80 HA PHE 13 HA PHE 13 -2.634 5.851 0.843
81 HD1 PHE 13 2HD PHE 13 -5.396 6.122 3.530
82 HD2 PHE 13 1HD PHE 13 -1.533 4.368 3.264
83 HE1 PHE 13 2HE PHE 13 -6.302 4.016 4.407
84 HE2 PHE 13 1HE PHE 13 -2.428 2.258 4.141
85 HZ PHE 13 HZ PHE 13 -4.818 2.074 4.713
86 HB2 PHE 13 2HB PHE 13 -1.816 6.744 3.076
87 HB3 PHE 13 1HB PHE 13 -3.405 7.491 3.252
88 H ASN 14 H ASN 14 -4.354 5.367 -0.296
89 HA ASN 14 HA ASN 14 -6.663 7.066 -0.470
90 HB2 ASN 14 2HB ASN 14 -5.731 4.609 -1.745
91 HB3 ASN 14 1HB ASN 14 -7.445 4.554 -1.350
92 HD21 ASN 14 1HD2 ASN 14 -7.924 7.357 -1.690
93 HD22 ASN 14 2HD2 ASN 14 -7.816 7.694 -3.389
94 H VAL 15 H VAL 15 -7.289 7.253 1.727
95 HA VAL 15 HA VAL 15 -7.897 4.949 3.302
96 HB VAL 15 HB VAL 15 -9.349 7.333 4.115
97 HG11 VAL 15 1HG1 VAL 15 -8.135 5.139 5.286
98 HG12 VAL 15 2HG1 VAL 15 -8.872 6.501 6.128
99 HG13 VAL 15 3HG1 VAL 15 -7.138 6.505 5.796
100 HG21 VAL 15 3HG2 VAL 15 -7.101 8.455 4.817
101 HG22 VAL 15 1HG2 VAL 15 -7.774 8.762 3.217
102 HG23 VAL 15 2HG2 VAL 15 -6.462 7.601 3.414
103 H ASP 16 H ASP 16 -9.353 6.368 0.687
104 HA ASP 16 HA ASP 16 -12.090 5.767 1.276
105 HB2 ASP 16 2HB ASP 16 -11.997 7.367 -0.376
106 HB3 ASP 16 1HB ASP 16 -10.545 6.684 -1.100
107 H LYS 17 H LYS 17 -9.364 4.037 -0.005
108 HA LYS 17 HA LYS 17 -10.895 2.255 -1.621
109 HB2 LYS 17 2HB LYS 17 -8.059 2.719 -1.029
110 HB3 LYS 17 1HB LYS 17 -8.461 1.039 -1.359
111 HG2 LYS 17 2HG LYS 17 -9.143 3.354 -3.158
112 HG3 LYS 17 1HG LYS 17 -7.747 2.298 -3.359
113 HD2 LYS 17 2HD LYS 17 -9.114 1.115 -4.695
114 HD3 LYS 17 1HD LYS 17 -9.765 0.486 -3.178
115 HE2 LYS 17 2HE LYS 17 -11.432 1.392 -4.908
116 HE3 LYS 17 1HE LYS 17 -11.617 1.913 -3.235
117 HZ1 LYS 17 3HZ LYS 17 -11.219 4.034 -3.793
118 HZ2 LYS 17 1HZ LYS 17 -11.492 3.546 -5.397
119 HZ3 LYS 17 2HZ LYS 17 -9.907 3.637 -4.800
120 H LYS 18 H LYS 18 -10.415 -0.172 -1.390
121 HA LYS 18 HA LYS 18 -11.395 -0.941 1.247
122 HB2 LYS 18 2HB LYS 18 -11.149 -2.977 -0.898
123 HB3 LYS 18 1HB LYS 18 -12.455 -2.702 0.242
124 HG2 LYS 18 2HG LYS 18 -11.970 -0.818 -2.042
125 HG3 LYS 18 1HG LYS 18 -12.910 -2.300 -2.243
126 HD2 LYS 18 2HD LYS 18 -14.696 -1.270 -1.426
127 HD3 LYS 18 1HD LYS 18 -13.844 -0.993 0.092
128 HE2 LYS 18 2HE LYS 18 -12.796 0.924 -1.582
129 HE3 LYS 18 1HE LYS 18 -14.487 0.855 -2.067
130 HZ1 LYS 18 3HZ LYS 18 -14.847 2.206 -0.353
131 HZ2 LYS 18 1HZ LYS 18 -13.318 1.926 0.320
132 HZ3 LYS 18 2HZ LYS 18 -14.595 0.861 0.657
133 H CYS 19 H CYS 19 -9.006 -2.069 -1.133
134 HA CYS 19 HA CYS 19 -7.314 -2.947 1.091
135 HB2 CYS 19 2HB CYS 19 -7.841 -4.424 -1.007
136 HB3 CYS 19 1HB CYS 19 -6.661 -3.393 -1.805
137 H GLN 20 H GLN 20 -5.258 -2.018 1.365
138 HA GLN 20 HA GLN 20 -5.080 0.590 0.011
139 HB2 GLN 20 2HB GLN 20 -4.022 0.349 2.756
140 HB3 GLN 20 1HB GLN 20 -4.854 1.689 1.981
141 HG2 GLN 20 2HG GLN 20 -6.294 -0.815 2.771
142 HG3 GLN 20 1HG GLN 20 -6.017 0.498 3.910
143 HE21 GLN 20 1HE2 GLN 20 -8.349 0.599 4.020
144 HE22 GLN 20 2HE2 GLN 20 -9.227 1.468 2.809
145 H CYS 21 H CYS 21 -3.223 1.105 -0.912
146 HA CYS 21 HA CYS 21 -0.760 0.138 0.333
147 HB2 CYS 21 2HB CYS 21 -0.320 0.416 -2.484
148 HB3 CYS 21 1HB CYS 21 -0.107 -1.010 -1.473
149 H ASP 22 H ASP 22 0.206 1.932 1.029
150 HA ASP 22 HA ASP 22 1.158 3.710 -1.003
151 HB2 ASP 22 2HB ASP 22 -0.992 4.779 -0.015
152 HB3 ASP 22 1HB ASP 22 0.002 5.090 1.407
153 H GLU 23 H GLU 23 2.547 5.513 0.470
154 HA GLU 23 HA GLU 23 4.564 4.090 1.838
155 HB2 GLU 23 2HB GLU 23 5.088 6.240 0.938
156 HB3 GLU 23 1HB GLU 23 3.743 6.996 1.775
157 HG2 GLU 23 2HG GLU 23 5.388 7.696 3.139
158 HG3 GLU 23 1HG GLU 23 5.113 6.124 3.892
159 H LEU 24 H LEU 24 1.519 5.444 2.755
160 HA LEU 24 HA LEU 24 2.004 5.230 5.609
161 HG LEU 24 HG LEU 24 1.516 7.207 6.251
162 HB2 LEU 24 2HB LEU 24 -0.010 6.454 3.848
163 HB3 LEU 24 1HB LEU 24 -0.637 5.819 5.357
164 HD11 LEU 24 1HD1 LEU 24 2.148 8.891 4.935
165 HD12 LEU 24 2HD1 LEU 24 0.486 9.288 4.501
166 HD13 LEU 24 3HD1 LEU 24 1.345 8.021 3.626
167 HD21 LEU 24 3HD2 LEU 24 -0.062 8.834 7.028
168 HD22 LEU 24 1HD2 LEU 24 -0.836 7.250 7.054
169 HD23 LEU 24 2HD2 LEU 24 -1.209 8.393 5.763
170 H CYS 25 H CYS 25 1.666 2.856 3.588
171 HA CYS 25 HA CYS 25 -0.734 1.536 4.259
172 HB2 CYS 25 2HB CYS 25 -0.027 0.054 2.748
173 HB3 CYS 25 1HB CYS 25 1.430 1.023 2.572
174 H SER 26 H SER 26 2.458 1.529 5.764
175 HA SER 26 HA SER 26 1.920 -0.552 7.620
176 HG SER 26 HG SER 26 5.203 1.105 6.590
177 HB2 SER 26 2HB SER 26 3.897 1.263 8.610
178 HB3 SER 26 1HB SER 26 4.134 -0.327 7.884
179 H TYR 27 H TYR 27 1.260 2.838 7.532
180 HA TYR 27 HA TYR 27 0.964 3.315 10.303
181 HD1 TYR 27 1HD TYR 27 0.741 5.726 11.358
182 HD2 TYR 27 2HD TYR 27 -2.060 5.881 8.156
183 HE1 TYR 27 1HE TYR 27 -0.663 7.270 12.662
184 HE2 TYR 27 2HE TYR 27 -3.464 7.420 9.445
185 HH TYR 27 HH TYR 27 -3.744 7.832 12.138
186 HB2 TYR 27 2HB TYR 27 1.308 5.171 8.834
187 HB3 TYR 27 1HB TYR 27 -0.079 4.728 7.845
188 H TYR 28 H TYR 28 -1.243 2.210 7.794
189 HA TYR 28 HA TYR 28 -3.429 2.101 9.745
190 HD1 TYR 28 1HD TYR 28 -6.178 2.852 8.934
191 HD2 TYR 28 2HD TYR 28 -2.950 4.416 6.652
192 HE1 TYR 28 1HE TYR 28 -7.142 5.103 9.114
193 HE2 TYR 28 2HE TYR 28 -3.900 6.673 6.833
194 HH TYR 28 HH TYR 28 -5.699 7.878 7.451
195 HB2 TYR 28 2HB TYR 28 -3.321 2.062 6.751
196 HB3 TYR 28 1HB TYR 28 -4.720 1.390 7.580
197 H GLN 29 H GLN 29 -1.094 0.173 8.265
198 HA GLN 29 HA GLN 29 -0.695 -2.054 8.080
199 HB2 GLN 29 2HB GLN 29 -1.937 -1.630 10.675
200 HB3 GLN 29 1HB GLN 29 -2.213 -3.258 10.075
201 HG2 GLN 29 2HG GLN 29 0.420 -1.898 10.562
202 HG3 GLN 29 1HG GLN 29 -0.245 -3.299 11.396
203 HE21 GLN 29 1HE2 GLN 29 2.306 -3.053 10.048
204 HE22 GLN 29 2HE2 GLN 29 2.323 -4.260 8.810
205 H SER 30 H SER 30 -2.266 -1.534 6.147
206 HA SER 30 HA SER 30 -4.075 -3.804 5.998
207 HG SER 30 HG SER 30 -4.865 -2.064 7.665
208 HB2 SER 30 2HB SER 30 -5.070 -1.062 5.192
209 HB3 SER 30 1HB SER 30 -5.990 -2.563 5.286
210 H CYS 31 H CYS 31 -1.671 -3.700 4.792
211 HA CYS 31 HA CYS 31 -2.053 -2.640 2.085
212 HB2 CYS 31 2HB CYS 31 0.494 -3.965 2.621
213 HB3 CYS 31 1HB CYS 31 0.169 -2.349 2.005
214 H CYS 32 H CYS 32 -2.215 -3.873 0.308
215 HA CYS 32 HA CYS 32 -2.800 -6.661 0.578
216 HB2 CYS 32 2HB CYS 32 -2.259 -5.549 -2.114
217 HB3 CYS 32 1HB CYS 32 -3.608 -6.526 -1.550
218 H THR 33 H THR 33 -1.718 -8.357 -0.693
219 HA THR 33 HA THR 33 1.049 -8.502 -0.251
220 HB THR 33 HB THR 33 0.566 -10.300 -2.302
221 HG1 THR 33 1HG THR 33 -1.547 -10.359 -2.475
222 HG21 THR 33 3HG2 THR 33 1.609 -11.225 -0.482
223 HG22 THR 33 1HG2 THR 33 -0.031 -11.809 -0.184
224 HG23 THR 33 2HG2 THR 33 0.567 -10.387 0.671
225 H ASP 34 H ASP 34 -0.799 -7.267 -2.904
226 HA ASP 34 HA ASP 34 1.243 -7.318 -4.887
227 HB2 ASP 34 2HB ASP 34 -1.413 -5.940 -4.636
228 HB3 ASP 34 1HB ASP 34 -0.318 -5.536 -5.954
229 H TYR 35 H TYR 35 0.875 -5.442 -2.128
230 HA TYR 35 HA TYR 35 1.608 -2.888 -3.130
231 HD1 TYR 35 2HD TYR 35 1.754 -0.729 -1.931
232 HD2 TYR 35 1HD TYR 35 3.235 -3.285 1.128
233 HE1 TYR 35 2HE TYR 35 3.104 1.121 -1.052
234 HE2 TYR 35 1HE TYR 35 4.595 -1.442 2.013
235 HH TYR 35 HH TYR 35 4.135 1.763 1.149
236 HB2 TYR 35 2HB TYR 35 0.544 -2.970 -0.999
237 HB3 TYR 35 1HB TYR 35 1.719 -4.127 -0.381
238 H THR 36 H THR 36 3.405 -5.525 -1.619
239 HA THR 36 HA THR 36 5.932 -4.221 -1.827
240 HB THR 36 HB THR 36 6.553 -6.845 -1.523
241 HG1 THR 36 1HG THR 36 4.861 -7.958 -0.818
242 HG21 THR 36 3HG2 THR 36 5.419 -5.171 0.707
243 HG22 THR 36 1HG2 THR 36 6.992 -4.858 -0.023
244 HG23 THR 36 2HG2 THR 36 6.695 -6.386 0.811
245 H ALA 37 H ALA 37 4.031 -6.328 -3.827
246 HA ALA 37 HA ALA 37 6.082 -7.123 -5.614
247 HB1 ALA 37 3HB ALA 37 4.179 -7.752 -7.102
248 HB2 ALA 37 1HB ALA 37 3.084 -7.035 -5.913
249 HB3 ALA 37 2HB ALA 37 4.081 -8.423 -5.473
250 H GLU 38 H GLU 38 3.586 -4.583 -5.787
251 HA GLU 38 HA GLU 38 4.624 -3.727 -8.353
252 HB2 GLU 38 2HB GLU 38 2.234 -2.880 -6.735
253 HB3 GLU 38 1HB GLU 38 2.691 -2.105 -8.247
254 HG2 GLU 38 2HG GLU 38 1.980 -5.008 -7.886
255 HG3 GLU 38 1HG GLU 38 0.958 -3.765 -8.605
256 H CYS 39 H CYS 39 4.326 -2.337 -5.077
257 HA CYS 39 HA CYS 39 5.574 0.124 -5.982
258 HB2 CYS 39 2HB CYS 39 3.828 0.258 -4.268
259 HB3 CYS 39 1HB CYS 39 4.794 -0.747 -3.191
260 H LYS 40 H LYS 40 6.372 -2.627 -3.939
261 HA LYS 40 HA LYS 40 8.315 -3.500 -3.186
262 HB2 LYS 40 2HB LYS 40 8.684 -3.035 -5.829
263 HB3 LYS 40 1HB LYS 40 10.027 -2.129 -5.150
264 HG2 LYS 40 2HG LYS 40 11.126 -3.982 -4.497
265 HG3 LYS 40 1HG LYS 40 9.645 -4.844 -4.077
266 HD2 LYS 40 2HD LYS 40 9.990 -4.308 -6.939
267 HD3 LYS 40 1HD LYS 40 11.196 -5.388 -6.241
268 HE2 LYS 40 2HE LYS 40 9.650 -7.010 -5.733
269 HE3 LYS 40 1HE LYS 40 8.330 -5.852 -5.586
270 HZ1 LYS 40 3HZ LYS 40 8.363 -7.407 -7.594
271 HZ2 LYS 40 1HZ LYS 40 9.582 -6.394 -8.200
272 HZ3 LYS 40 2HZ LYS 40 8.044 -5.764 -7.865
273 HA PRO 41 HA PRO 41 9.742 0.428 -1.098
274 HB2 PRO 41 2HB PRO 41 8.667 0.012 1.315
275 HB3 PRO 41 1HB PRO 41 7.700 0.705 0.002
276 HG2 PRO 41 2HG PRO 41 7.828 -2.145 0.947
277 HG3 PRO 41 1HG PRO 41 6.394 -1.147 0.623
278 HD2 PRO 41 2HD PRO 41 7.363 -2.924 -1.178
279 HD3 PRO 41 1HD PRO 41 6.576 -1.408 -1.665
280 H GLN 42 H GLN 42 9.689 -2.954 -0.541
281 HA GLN 42 HA GLN 42 12.291 -2.816 0.783
282 HB2 GLN 42 2HB GLN 42 10.970 -3.314 2.650
283 HB3 GLN 42 1HB GLN 42 9.845 -4.289 1.716
284 HG2 GLN 42 2HG GLN 42 10.941 -5.937 2.832
285 HG3 GLN 42 1HG GLN 42 11.970 -5.824 1.406
286 HE21 GLN 42 1HE2 GLN 42 14.059 -5.655 1.751
287 HE22 GLN 42 2HE2 GLN 42 14.804 -5.108 3.216
288 H VAL 43 H VAL 43 13.594 -3.655 -0.670
289 HA VAL 43 HA VAL 43 12.769 -5.824 -2.407
290 HB VAL 43 HB VAL 43 15.599 -4.834 -2.221
291 HG11 VAL 43 1HG1 VAL 43 14.255 -6.617 -3.874
292 HG12 VAL 43 2HG1 VAL 43 15.856 -5.934 -4.140
293 HG13 VAL 43 3HG1 VAL 43 14.442 -5.162 -4.850
294 HG21 VAL 43 3HG2 VAL 43 15.063 -2.741 -2.748
295 HG22 VAL 43 1HG2 VAL 43 13.348 -3.147 -2.728
296 HG23 VAL 43 2HG2 VAL 43 14.279 -3.328 -4.213
297 H THR 44 H THR 44 13.715 -7.899 -2.390
298 HA THR 44 HA THR 44 14.285 -9.001 0.134
299 HB THR 44 HB THR 44 15.320 -10.592 -2.064
300 HG1 THR 44 1HG THR 44 12.642 -10.413 -2.504
301 HG21 THR 44 3HG2 THR 44 14.126 -11.062 0.316
302 HG22 THR 44 1HG2 THR 44 14.221 -12.247 -0.987
303 HG23 THR 44 2HG2 THR 44 12.758 -11.283 -0.778
304 H ARG 45 H ARG 45 16.165 -9.282 1.217
305 HA ARG 45 HA ARG 45 18.505 -7.966 0.150
306 HE ARG 45 HE ARG 45 21.289 -8.938 3.006
307 HB2 ARG 45 2HB ARG 45 19.311 -7.906 2.298
308 HB3 ARG 45 1HB ARG 45 17.584 -7.971 2.608
309 HG2 ARG 45 2HG ARG 45 17.687 -10.032 3.525
310 HG3 ARG 45 1HG ARG 45 18.993 -10.565 2.463
311 HD2 ARG 45 2HD ARG 45 19.466 -8.503 4.582
312 HD3 ARG 45 1HD ARG 45 19.493 -10.222 4.974
313 HH11 ARG 45 1HH1 ARG 45 20.621 -11.359 5.457
314 HH12 ARG 45 2HH1 ARG 45 22.241 -11.995 5.451
315 HH21 ARG 45 1HH2 ARG 45 23.394 -9.805 2.972
316 HH22 ARG 45 2HH2 ARG 45 23.815 -11.132 4.022
317 H GLY 46 H GLY 46 20.667 -9.041 0.311
318 HA2 GLY 46 2HA GLY 46 20.495 -11.911 -0.304
319 HA3 GLY 46 1HA GLY 46 21.278 -10.821 -1.438
320 H ASP 47 H ASP 47 22.312 -13.121 0.111
321 HA ASP 47 HA ASP 47 24.379 -11.716 1.677
322 HB2 ASP 47 2HB ASP 47 22.773 -13.434 2.813
323 HB3 ASP 47 1HB ASP 47 23.784 -14.637 2.018
Start of MODEL 5
1 HA ASP 1 HA ASP 1 -8.496 -7.828 -8.274
2 H1 ASP 1 1HT ASP 1 -9.343 -9.450 -7.105
3 H2 ASP 1 2HT ASP 1 -10.615 -9.632 -8.204
4 H3 ASP 1 3HT ASP 1 -10.782 -8.580 -6.885
5 HB2 ASP 1 2HB ASP 1 -9.298 -8.903 -10.253
6 HB3 ASP 1 1HB ASP 1 -10.929 -8.287 -10.005
7 H GLN 2 H GLN 2 -8.637 -6.353 -6.628
8 HA GLN 2 HA GLN 2 -9.604 -3.853 -7.129
9 HB2 GLN 2 2HB GLN 2 -11.717 -3.606 -6.358
10 HB3 GLN 2 1HB GLN 2 -11.833 -5.345 -6.562
11 HG2 GLN 2 2HG GLN 2 -10.976 -5.456 -4.136
12 HG3 GLN 2 1HG GLN 2 -11.447 -3.758 -4.063
13 HE21 GLN 2 1HE2 GLN 2 -12.465 -6.827 -3.485
14 HE22 GLN 2 2HE2 GLN 2 -14.182 -6.572 -3.538
15 H GLU 3 H GLU 3 -8.954 -6.310 -4.764
16 HA GLU 3 HA GLU 3 -7.608 -4.381 -3.016
17 HB2 GLU 3 2HB GLU 3 -7.593 -7.276 -2.358
18 HB3 GLU 3 1HB GLU 3 -7.837 -5.890 -1.307
19 HG2 GLU 3 2HG GLU 3 -9.901 -6.897 -1.244
20 HG3 GLU 3 1HG GLU 3 -10.124 -5.696 -2.514
21 H SER 4 H SER 4 -6.544 -4.705 -5.508
22 HA SER 4 HA SER 4 -4.059 -6.172 -4.977
23 HG SER 4 HG SER 4 -6.243 -7.808 -6.185
24 HB2 SER 4 2HB SER 4 -4.847 -5.950 -7.804
25 HB3 SER 4 1HB SER 4 -4.204 -7.335 -6.919
26 H CYS 5 H CYS 5 -2.328 -4.891 -5.087
27 HA CYS 5 HA CYS 5 -2.703 -2.146 -5.950
28 HB2 CYS 5 2HB CYS 5 -1.351 -3.200 -3.872
29 HB3 CYS 5 1HB CYS 5 -0.042 -3.085 -5.043
30 H LYS 6 H LYS 6 -1.839 -1.224 -7.713
31 HA LYS 6 HA LYS 6 0.117 -2.772 -9.276
32 HB2 LYS 6 2HB LYS 6 -2.002 -0.922 -10.394
33 HB3 LYS 6 1HB LYS 6 -0.835 -1.848 -11.325
34 HG2 LYS 6 2HG LYS 6 -2.067 -3.704 -11.242
35 HG3 LYS 6 1HG LYS 6 -2.473 -3.474 -9.540
36 HD2 LYS 6 2HD LYS 6 -4.538 -3.222 -10.526
37 HD3 LYS 6 1HD LYS 6 -3.979 -1.548 -10.472
38 HE2 LYS 6 2HE LYS 6 -4.002 -1.383 -12.694
39 HE3 LYS 6 1HE LYS 6 -3.091 -2.883 -12.879
40 HZ1 LYS 6 3HZ LYS 6 -5.047 -4.145 -12.883
41 HZ2 LYS 6 1HZ LYS 6 -5.404 -2.817 -13.872
42 HZ3 LYS 6 2HZ LYS 6 -5.990 -2.877 -12.283
43 H GLY 7 H GLY 7 -1.239 0.469 -8.752
44 HA2 GLY 7 2HA GLY 7 1.358 1.568 -8.210
45 HA3 GLY 7 1HA GLY 7 0.748 2.042 -9.788
46 H ARG 8 H ARG 8 -1.040 1.576 -6.745
47 HA ARG 8 HA ARG 8 -2.030 4.316 -7.036
48 HE ARG 8 HE ARG 8 -4.916 1.598 -2.866
49 HB2 ARG 8 2HB ARG 8 -3.644 3.679 -5.210
50 HB3 ARG 8 1HB ARG 8 -3.817 2.768 -6.703
51 HG2 ARG 8 2HG ARG 8 -3.950 1.054 -5.244
52 HG3 ARG 8 1HG ARG 8 -2.192 1.112 -5.388
53 HD2 ARG 8 2HD ARG 8 -2.604 1.018 -3.086
54 HD3 ARG 8 1HD ARG 8 -2.242 2.710 -3.415
55 HH11 ARG 8 1HH1 ARG 8 -2.717 4.330 -3.018
56 HH12 ARG 8 2HH1 ARG 8 -3.865 5.452 -2.354
57 HH21 ARG 8 1HH2 ARG 8 -6.394 3.053 -1.922
58 HH22 ARG 8 2HH2 ARG 8 -5.967 4.729 -1.760
59 H CYS 9 H CYS 9 0.619 3.198 -5.903
60 HA CYS 9 HA CYS 9 0.635 4.157 -3.189
61 HB2 CYS 9 2HB CYS 9 3.275 3.918 -4.135
62 HB3 CYS 9 1HB CYS 9 2.381 2.757 -3.158
63 H THR 10 H THR 10 0.531 5.674 -6.088
64 HA THR 10 HA THR 10 2.242 7.906 -5.250
65 HB THR 10 HB THR 10 1.632 8.505 -7.808
66 HG1 THR 10 1HG THR 10 0.639 6.795 -8.614
67 HG21 THR 10 3HG2 THR 10 3.880 7.978 -6.536
68 HG22 THR 10 1HG2 THR 10 3.817 7.956 -8.298
69 HG23 THR 10 2HG2 THR 10 3.750 6.443 -7.394
70 H GLU 11 H GLU 11 -0.923 6.987 -5.140
71 HA GLU 11 HA GLU 11 -1.987 9.647 -5.747
72 HB2 GLU 11 2HB GLU 11 -4.157 8.683 -5.800
73 HB3 GLU 11 1HB GLU 11 -3.104 7.573 -6.664
74 HG2 GLU 11 2HG GLU 11 -3.393 5.924 -5.168
75 HG3 GLU 11 1HG GLU 11 -3.424 7.025 -3.795
76 H GLY 12 H GLY 12 -0.810 7.921 -3.165
77 HA2 GLY 12 2HA GLY 12 -0.610 8.775 -0.983
78 HA3 GLY 12 1HA GLY 12 -2.026 9.779 -1.271
79 H PHE 13 H PHE 13 -1.681 8.258 1.054
80 HA PHE 13 HA PHE 13 -3.194 5.846 0.853
81 HD1 PHE 13 2HD PHE 13 -5.009 5.939 3.782
82 HD2 PHE 13 1HD PHE 13 -1.119 4.331 3.169
83 HE1 PHE 13 2HE PHE 13 -5.724 3.824 4.810
84 HE2 PHE 13 1HE PHE 13 -1.827 2.213 4.193
85 HZ PHE 13 HZ PHE 13 -4.132 1.955 5.014
86 HB2 PHE 13 2HB PHE 13 -1.499 6.559 2.699
87 HB3 PHE 13 1HB PHE 13 -2.884 7.381 3.413
88 H ASN 14 H ASN 14 -5.208 6.002 0.145
89 HA ASN 14 HA ASN 14 -7.014 7.991 1.296
90 HB2 ASN 14 2HB ASN 14 -6.797 7.036 -1.269
91 HB3 ASN 14 1HB ASN 14 -8.095 6.042 -0.614
92 HD21 ASN 14 1HD2 ASN 14 -9.690 7.424 0.735
93 HD22 ASN 14 2HD2 ASN 14 -10.268 8.843 -0.073
94 H VAL 15 H VAL 15 -7.692 7.288 3.241
95 HA VAL 15 HA VAL 15 -7.937 4.479 3.821
96 HB VAL 15 HB VAL 15 -9.111 6.261 5.820
97 HG11 VAL 15 1HG1 VAL 15 -8.498 4.460 6.973
98 HG12 VAL 15 2HG1 VAL 15 -6.825 5.000 6.818
99 HG13 VAL 15 3HG1 VAL 15 -7.505 3.876 5.640
100 HG21 VAL 15 3HG2 VAL 15 -6.482 6.948 4.642
101 HG22 VAL 15 1HG2 VAL 15 -6.590 6.942 6.403
102 HG23 VAL 15 2HG2 VAL 15 -7.664 7.973 5.456
103 H ASP 16 H ASP 16 -9.612 5.179 1.757
104 HA ASP 16 HA ASP 16 -12.102 4.187 2.674
105 HB2 ASP 16 2HB ASP 16 -12.006 6.840 3.080
106 HB3 ASP 16 1HB ASP 16 -12.519 6.834 1.396
107 H LYS 17 H LYS 17 -9.937 3.843 0.601
108 HA LYS 17 HA LYS 17 -11.480 4.062 -1.863
109 HB2 LYS 17 2HB LYS 17 -8.641 3.379 -1.233
110 HB3 LYS 17 1HB LYS 17 -9.326 2.816 -2.751
111 HG2 LYS 17 2HG LYS 17 -9.417 5.692 -1.909
112 HG3 LYS 17 1HG LYS 17 -8.068 5.001 -2.815
113 HD2 LYS 17 2HD LYS 17 -10.316 4.163 -4.204
114 HD3 LYS 17 1HD LYS 17 -10.702 5.818 -3.728
115 HE2 LYS 17 2HE LYS 17 -8.179 4.960 -5.143
116 HE3 LYS 17 1HE LYS 17 -9.583 5.680 -5.930
117 HZ1 LYS 17 3HZ LYS 17 -8.302 7.099 -3.694
118 HZ2 LYS 17 1HZ LYS 17 -9.173 7.725 -5.007
119 HZ3 LYS 17 2HZ LYS 17 -7.584 7.153 -5.223
120 H LYS 18 H LYS 18 -9.453 1.376 -1.609
121 HA LYS 18 HA LYS 18 -11.505 -0.508 -0.839
122 HB2 LYS 18 2HB LYS 18 -10.293 -1.549 -3.224
123 HB3 LYS 18 1HB LYS 18 -11.997 -1.320 -2.874
124 HG2 LYS 18 2HG LYS 18 -11.975 0.083 -4.599
125 HG3 LYS 18 1HG LYS 18 -11.181 1.216 -3.503
126 HD2 LYS 18 2HD LYS 18 -9.075 0.778 -4.378
127 HD3 LYS 18 1HD LYS 18 -9.567 -0.786 -5.035
128 HE2 LYS 18 2HE LYS 18 -10.898 1.655 -6.077
129 HE3 LYS 18 1HE LYS 18 -9.237 1.348 -6.572
130 HZ1 LYS 18 3HZ LYS 18 -10.956 0.426 -8.080
131 HZ2 LYS 18 1HZ LYS 18 -11.431 -0.635 -6.843
132 HZ3 LYS 18 2HZ LYS 18 -9.866 -0.739 -7.495
133 H CYS 19 H CYS 19 -8.384 -0.309 -2.482
134 HA CYS 19 HA CYS 19 -7.179 -1.772 -0.237
135 HB2 CYS 19 2HB CYS 19 -7.296 -2.886 -2.658
136 HB3 CYS 19 1HB CYS 19 -5.888 -1.864 -2.926
137 H GLN 20 H GLN 20 -5.050 -1.035 0.352
138 HA GLN 20 HA GLN 20 -4.564 1.724 -0.560
139 HB2 GLN 20 2HB GLN 20 -4.960 0.631 2.173
140 HB3 GLN 20 1HB GLN 20 -3.772 1.909 1.978
141 HG2 GLN 20 2HG GLN 20 -5.760 2.974 2.581
142 HG3 GLN 20 1HG GLN 20 -5.589 3.248 0.843
143 HE21 GLN 20 1HE2 GLN 20 -7.034 0.918 3.101
144 HE22 GLN 20 2HE2 GLN 20 -8.494 0.681 2.195
145 H CYS 21 H CYS 21 -2.537 2.152 -1.149
146 HA CYS 21 HA CYS 21 -0.377 0.778 0.259
147 HB2 CYS 21 2HB CYS 21 -0.205 1.344 -2.698
148 HB3 CYS 21 1HB CYS 21 0.894 0.388 -1.718
149 H ASP 22 H ASP 22 0.753 2.263 1.237
150 HA ASP 22 HA ASP 22 1.716 4.589 -0.189
151 HB2 ASP 22 2HB ASP 22 -0.491 5.203 1.012
152 HB3 ASP 22 1HB ASP 22 0.414 4.997 2.507
153 H GLU 23 H GLU 23 3.079 5.858 1.754
154 HA GLU 23 HA GLU 23 4.974 4.015 2.839
155 HB2 GLU 23 2HB GLU 23 5.558 6.366 2.367
156 HB3 GLU 23 1HB GLU 23 4.393 6.898 3.572
157 HG2 GLU 23 2HG GLU 23 6.159 5.036 4.784
158 HG3 GLU 23 1HG GLU 23 7.110 6.248 3.931
159 H LEU 24 H LEU 24 2.008 5.484 3.846
160 HA LEU 24 HA LEU 24 2.266 4.674 6.613
161 HG LEU 24 HG LEU 24 2.271 7.195 5.651
162 HB2 LEU 24 2HB LEU 24 -0.042 5.926 5.134
163 HB3 LEU 24 1HB LEU 24 0.040 5.680 6.872
164 HD11 LEU 24 1HD1 LEU 24 -0.573 8.134 5.681
165 HD12 LEU 24 2HD1 LEU 24 0.670 8.351 4.444
166 HD13 LEU 24 3HD1 LEU 24 0.741 9.278 5.947
167 HD21 LEU 24 3HD2 LEU 24 2.205 8.369 7.717
168 HD22 LEU 24 1HD2 LEU 24 1.999 6.658 8.090
169 HD23 LEU 24 2HD2 LEU 24 0.606 7.737 8.103
170 H CYS 25 H CYS 25 1.932 2.777 4.173
171 HA CYS 25 HA CYS 25 -0.501 1.407 4.551
172 HB2 CYS 25 2HB CYS 25 0.232 0.311 2.755
173 HB3 CYS 25 1HB CYS 25 1.773 1.147 2.894
174 H SER 26 H SER 26 2.689 1.056 6.015
175 HA SER 26 HA SER 26 2.040 -1.234 7.571
176 HG SER 26 HG SER 26 5.421 0.526 6.829
177 HB2 SER 26 2HB SER 26 4.138 0.217 8.792
178 HB3 SER 26 1HB SER 26 4.275 -1.182 7.723
179 H TYR 27 H TYR 27 1.720 2.194 7.968
180 HA TYR 27 HA TYR 27 1.385 2.308 10.762
181 HD1 TYR 27 1HD TYR 27 1.312 4.725 12.095
182 HD2 TYR 27 2HD TYR 27 -1.502 5.174 8.933
183 HE1 TYR 27 1HE TYR 27 -0.060 6.184 13.524
184 HE2 TYR 27 2HE TYR 27 -2.882 6.622 10.352
185 HH TYR 27 HH TYR 27 -2.999 7.749 12.263
186 HB2 TYR 27 2HB TYR 27 1.875 4.323 9.599
187 HB3 TYR 27 1HB TYR 27 0.519 4.110 8.501
188 H TYR 28 H TYR 28 -0.967 2.081 8.110
189 HA TYR 28 HA TYR 28 -3.156 1.738 10.000
190 HD1 TYR 28 2HD TYR 28 -5.338 3.129 9.661
191 HD2 TYR 28 1HD TYR 28 -2.552 4.192 6.625
192 HE1 TYR 28 2HE TYR 28 -5.906 5.501 9.975
193 HE2 TYR 28 1HE TYR 28 -3.109 6.564 6.937
194 HH TYR 28 HH TYR 28 -4.372 7.866 9.384
195 HB2 TYR 28 2HB TYR 28 -3.011 1.953 6.997
196 HB3 TYR 28 1HB TYR 28 -4.493 1.490 7.820
197 H GLN 29 H GLN 29 -0.908 -0.211 8.449
198 HA GLN 29 HA GLN 29 -0.698 -2.430 7.992
199 HB2 GLN 29 2HB GLN 29 -2.815 -2.808 10.117
200 HB3 GLN 29 1HB GLN 29 -1.602 -3.972 9.606
201 HG2 GLN 29 2HG GLN 29 0.159 -2.593 10.529
202 HG3 GLN 29 1HG GLN 29 -1.014 -1.355 10.979
203 HE21 GLN 29 1HE2 GLN 29 -3.041 -2.831 12.034
204 HE22 GLN 29 2HE2 GLN 29 -2.497 -3.657 13.459
205 H SER 30 H SER 30 -2.294 -1.174 6.198
206 HA SER 30 HA SER 30 -4.254 -3.240 5.545
207 HG SER 30 HG SER 30 -4.860 -1.257 7.596
208 HB2 SER 30 2HB SER 30 -4.899 -0.283 5.448
209 HB3 SER 30 1HB SER 30 -5.977 -1.606 5.002
210 H CYS 31 H CYS 31 -1.997 -3.372 4.304
211 HA CYS 31 HA CYS 31 -2.357 -1.966 1.744
212 HB2 CYS 31 2HB CYS 31 0.138 -3.322 1.794
213 HB3 CYS 31 1HB CYS 31 -0.153 -1.587 1.786
214 H CYS 32 H CYS 32 -2.056 -3.187 -0.203
215 HA CYS 32 HA CYS 32 -3.233 -5.774 -0.100
216 HB2 CYS 32 2HB CYS 32 -1.821 -4.816 -2.543
217 HB3 CYS 32 1HB CYS 32 -3.379 -5.622 -2.392
218 H THR 33 H THR 33 -2.275 -7.739 -0.940
219 HA THR 33 HA THR 33 0.137 -8.384 0.333
220 HB THR 33 HB THR 33 -0.342 -10.308 -1.677
221 HG1 THR 33 1HG THR 33 -2.345 -9.639 -2.199
222 HG21 THR 33 3HG2 THR 33 -1.723 -10.925 0.756
223 HG22 THR 33 1HG2 THR 33 -0.205 -10.113 1.133
224 HG23 THR 33 2HG2 THR 33 -0.200 -11.576 0.150
225 H ASP 34 H ASP 34 -0.482 -7.079 -2.778
226 HA ASP 34 HA ASP 34 2.147 -7.871 -3.803
227 HB2 ASP 34 2HB ASP 34 1.112 -6.614 -5.902
228 HB3 ASP 34 1HB ASP 34 0.702 -8.285 -5.534
229 H TYR 35 H TYR 35 1.580 -5.754 -1.733
230 HA TYR 35 HA TYR 35 1.857 -3.195 -2.842
231 HD1 TYR 35 2HD TYR 35 2.043 -0.997 -1.775
232 HD2 TYR 35 1HD TYR 35 4.027 -3.229 1.253
233 HE1 TYR 35 2HE TYR 35 3.242 1.029 -1.076
234 HE2 TYR 35 1HE TYR 35 5.229 -1.204 1.963
235 HH TYR 35 HH TYR 35 4.373 1.757 1.345
236 HB2 TYR 35 2HB TYR 35 1.157 -3.344 -0.574
237 HB3 TYR 35 1HB TYR 35 2.549 -4.324 -0.131
238 H THR 36 H THR 36 4.319 -5.405 -1.533
239 HA THR 36 HA THR 36 6.467 -3.641 -2.132
240 HB THR 36 HB THR 36 7.753 -5.937 -1.787
241 HG1 THR 36 1HG THR 36 6.514 -7.508 -1.035
242 HG21 THR 36 3HG2 THR 36 7.561 -3.854 -0.310
243 HG22 THR 36 1HG2 THR 36 7.928 -5.382 0.493
244 HG23 THR 36 2HG2 THR 36 6.287 -4.730 0.541
245 H ALA 37 H ALA 37 4.855 -6.212 -3.824
246 HA ALA 37 HA ALA 37 6.880 -6.742 -5.731
247 HB1 ALA 37 3HB ALA 37 4.024 -7.447 -5.394
248 HB2 ALA 37 1HB ALA 37 5.429 -8.486 -5.640
249 HB3 ALA 37 2HB ALA 37 4.724 -7.618 -7.005
250 H GLU 38 H GLU 38 3.979 -4.678 -5.794
251 HA GLU 38 HA GLU 38 4.663 -3.869 -8.517
252 HB2 GLU 38 2HB GLU 38 2.198 -3.333 -6.865
253 HB3 GLU 38 1HB GLU 38 2.429 -2.801 -8.525
254 HG2 GLU 38 2HG GLU 38 2.273 -5.642 -7.540
255 HG3 GLU 38 1HG GLU 38 1.074 -4.779 -8.501
256 H CYS 39 H CYS 39 4.233 -2.419 -5.302
257 HA CYS 39 HA CYS 39 4.736 0.228 -6.354
258 HB2 CYS 39 2HB CYS 39 4.353 -0.806 -3.545
259 HB3 CYS 39 1HB CYS 39 4.714 0.878 -3.905
260 H LYS 40 H LYS 40 6.451 -2.132 -4.348
261 HA LYS 40 HA LYS 40 8.629 -2.402 -3.798
262 HB2 LYS 40 2HB LYS 40 8.617 -1.914 -6.481
263 HB3 LYS 40 1HB LYS 40 9.710 -0.660 -5.911
264 HG2 LYS 40 2HG LYS 40 11.351 -2.117 -5.534
265 HG3 LYS 40 1HG LYS 40 10.267 -3.252 -4.725
266 HD2 LYS 40 2HD LYS 40 10.072 -2.981 -7.682
267 HD3 LYS 40 1HD LYS 40 11.451 -3.857 -7.012
268 HE2 LYS 40 2HE LYS 40 8.991 -4.644 -5.729
269 HE3 LYS 40 1HE LYS 40 8.882 -4.844 -7.477
270 HZ1 LYS 40 3HZ LYS 40 11.367 -5.786 -6.396
271 HZ2 LYS 40 1HZ LYS 40 10.260 -6.571 -7.417
272 HZ3 LYS 40 2HZ LYS 40 10.025 -6.589 -5.738
273 HA PRO 41 HA PRO 41 8.630 1.719 -1.658
274 HB2 PRO 41 2HB PRO 41 9.186 0.601 0.791
275 HB3 PRO 41 1HB PRO 41 7.555 0.889 0.177
276 HG2 PRO 41 2HG PRO 41 9.156 -1.635 0.197
277 HG3 PRO 41 1HG PRO 41 7.428 -1.400 0.520
278 HD2 PRO 41 2HD PRO 41 8.322 -2.354 -1.830
279 HD3 PRO 41 1HD PRO 41 6.891 -1.308 -1.723
280 H GLN 42 H GLN 42 10.854 -0.937 -1.857
281 HA GLN 42 HA GLN 42 13.117 -1.104 -1.819
282 HB2 GLN 42 2HB GLN 42 12.527 1.021 -3.397
283 HB3 GLN 42 1HB GLN 42 13.566 1.791 -2.204
284 HG2 GLN 42 2HG GLN 42 15.140 -0.226 -2.701
285 HG3 GLN 42 1HG GLN 42 14.210 -0.325 -4.198
286 HE21 GLN 42 1HE2 GLN 42 16.830 1.059 -2.701
287 HE22 GLN 42 2HE2 GLN 42 17.120 2.358 -3.817
288 H VAL 43 H VAL 43 12.143 -1.035 0.669
289 HA VAL 43 HA VAL 43 13.681 0.952 2.163
290 HB VAL 43 HB VAL 43 11.391 0.890 2.843
291 HG11 VAL 43 1HG1 VAL 43 10.300 -1.002 2.337
292 HG12 VAL 43 2HG1 VAL 43 10.746 -1.480 3.976
293 HG13 VAL 43 3HG1 VAL 43 11.718 -2.015 2.603
294 HG21 VAL 43 3HG2 VAL 43 13.255 -0.411 4.800
295 HG22 VAL 43 1HG2 VAL 43 11.605 0.035 5.236
296 HG23 VAL 43 2HG2 VAL 43 12.744 1.276 4.711
297 H THR 44 H THR 44 15.539 0.430 3.037
298 HA THR 44 HA THR 44 16.463 -2.291 3.105
299 HB THR 44 HB THR 44 18.277 -0.643 4.500
300 HG1 THR 44 1HG THR 44 17.573 1.276 3.824
301 HG21 THR 44 3HG2 THR 44 18.364 -2.447 2.486
302 HG22 THR 44 1HG2 THR 44 19.710 -1.391 2.908
303 HG23 THR 44 2HG2 THR 44 18.631 -0.956 1.584
304 H ARG 45 H ARG 45 18.058 -2.049 5.554
305 HA ARG 45 HA ARG 45 15.977 -1.946 7.602
306 HE ARG 45 HE ARG 45 14.060 -3.875 6.664
307 HB2 ARG 45 2HB ARG 45 16.450 -4.333 6.547
308 HB3 ARG 45 1HB ARG 45 17.801 -4.295 7.671
309 HG2 ARG 45 2HG ARG 45 15.616 -5.369 8.445
310 HG3 ARG 45 1HG ARG 45 16.419 -4.241 9.539
311 HD2 ARG 45 2HD ARG 45 14.137 -3.667 9.604
312 HD3 ARG 45 1HD ARG 45 14.897 -2.451 8.577
313 HH11 ARG 45 1HH1 ARG 45 12.421 -3.677 9.750
314 HH12 ARG 45 2HH1 ARG 45 10.888 -4.183 9.099
315 HH21 ARG 45 1HH2 ARG 45 12.049 -4.501 5.807
316 HH22 ARG 45 2HH2 ARG 45 10.677 -4.654 6.870
317 H GLY 46 H GLY 46 16.728 -0.542 9.022
318 HA2 GLY 46 2HA GLY 46 19.561 -0.525 9.729
319 HA3 GLY 46 1HA GLY 46 18.338 0.617 10.283
320 H ASP 47 H ASP 47 20.101 -2.181 11.037
321 HA ASP 47 HA ASP 47 18.253 -3.305 12.923
322 HB2 ASP 47 2HB ASP 47 20.082 -4.580 11.711
323 HB3 ASP 47 1HB ASP 47 21.230 -3.793 12.791
Start of MODEL 6
1 HA ASP 1 HA ASP 1 -8.499 -10.803 -6.085
2 H1 ASP 1 1HT ASP 1 -9.708 -10.332 -4.161
3 H2 ASP 1 2HT ASP 1 -10.680 -11.396 -5.058
4 H3 ASP 1 3HT ASP 1 -11.049 -9.745 -5.026
5 HB2 ASP 1 2HB ASP 1 -9.686 -10.141 -8.347
6 HB3 ASP 1 1HB ASP 1 -9.900 -11.743 -7.652
7 H GLN 2 H GLN 2 -10.118 -8.282 -4.749
8 HA GLN 2 HA GLN 2 -8.877 -6.248 -6.448
9 HB2 GLN 2 2HB GLN 2 -11.328 -6.329 -5.224
10 HB3 GLN 2 1HB GLN 2 -10.390 -5.367 -4.090
11 HG2 GLN 2 2HG GLN 2 -9.787 -4.386 -6.651
12 HG3 GLN 2 1HG GLN 2 -11.535 -4.605 -6.594
13 HE21 GLN 2 1HE2 GLN 2 -9.049 -3.559 -4.280
14 HE22 GLN 2 2HE2 GLN 2 -9.859 -2.103 -3.821
15 H GLU 3 H GLU 3 -7.472 -8.099 -4.601
16 HA GLU 3 HA GLU 3 -6.427 -6.309 -2.539
17 HB2 GLU 3 2HB GLU 3 -5.838 -9.241 -3.022
18 HB3 GLU 3 1HB GLU 3 -5.381 -8.302 -1.607
19 HG2 GLU 3 2HG GLU 3 -7.234 -9.511 -0.902
20 HG3 GLU 3 1HG GLU 3 -7.885 -7.918 -1.282
21 H SER 4 H SER 4 -5.888 -6.805 -5.649
22 HA SER 4 HA SER 4 -2.996 -7.001 -5.623
23 HG SER 4 HG SER 4 -5.999 -7.431 -7.824
24 HB2 SER 4 2HB SER 4 -4.211 -6.345 -8.188
25 HB3 SER 4 1HB SER 4 -3.251 -7.754 -7.725
26 H CYS 5 H CYS 5 -1.785 -5.274 -5.322
27 HA CYS 5 HA CYS 5 -2.776 -2.599 -5.850
28 HB2 CYS 5 2HB CYS 5 -1.201 -3.403 -3.895
29 HB3 CYS 5 1HB CYS 5 0.065 -3.178 -5.093
30 H LYS 6 H LYS 6 -2.014 -1.252 -7.468
31 HA LYS 6 HA LYS 6 -0.113 -2.433 -9.371
32 HB2 LYS 6 2HB LYS 6 -1.784 -0.730 -10.863
33 HB3 LYS 6 1HB LYS 6 -1.697 -2.484 -10.950
34 HG2 LYS 6 2HG LYS 6 -3.465 -2.704 -9.335
35 HG3 LYS 6 1HG LYS 6 -3.488 -0.958 -9.074
36 HD2 LYS 6 2HD LYS 6 -3.895 -0.917 -11.677
37 HD3 LYS 6 1HD LYS 6 -4.498 -2.547 -11.382
38 HE2 LYS 6 2HE LYS 6 -6.227 -1.799 -10.024
39 HE3 LYS 6 1HE LYS 6 -5.429 -0.263 -9.689
40 HZ1 LYS 6 3HZ LYS 6 -6.312 0.673 -11.504
41 HZ2 LYS 6 1HZ LYS 6 -7.418 -0.612 -11.468
42 HZ3 LYS 6 2HZ LYS 6 -6.055 -0.690 -12.476
43 H GLY 7 H GLY 7 -1.730 0.663 -9.732
44 HA2 GLY 7 2HA GLY 7 0.798 1.991 -8.984
45 HA3 GLY 7 1HA GLY 7 -0.111 2.457 -10.415
46 H ARG 8 H ARG 8 -1.184 1.689 -7.109
47 HA ARG 8 HA ARG 8 -2.561 4.284 -7.100
48 HE ARG 8 HE ARG 8 -4.907 1.056 -2.876
49 HB2 ARG 8 2HB ARG 8 -3.967 3.344 -5.287
50 HB3 ARG 8 1HB ARG 8 -4.086 2.435 -6.786
51 HG2 ARG 8 2HG ARG 8 -3.843 0.672 -5.431
52 HG3 ARG 8 1HG ARG 8 -2.127 1.069 -5.529
53 HD2 ARG 8 2HD ARG 8 -2.621 0.786 -3.237
54 HD3 ARG 8 1HD ARG 8 -2.457 2.520 -3.504
55 HH11 ARG 8 1HH1 ARG 8 -3.373 4.133 -3.627
56 HH12 ARG 8 2HH1 ARG 8 -4.741 5.078 -3.110
57 HH21 ARG 8 1HH2 ARG 8 -6.638 2.312 -2.096
58 HH22 ARG 8 2HH2 ARG 8 -6.571 4.045 -2.216
59 H CYS 9 H CYS 9 0.279 3.212 -6.228
60 HA CYS 9 HA CYS 9 0.403 4.214 -3.512
61 HB2 CYS 9 2HB CYS 9 3.006 3.947 -4.563
62 HB3 CYS 9 1HB CYS 9 2.167 2.834 -3.486
63 H THR 10 H THR 10 0.508 5.459 -6.639
64 HA THR 10 HA THR 10 2.299 7.654 -6.141
65 HB THR 10 HB THR 10 0.960 8.308 -8.429
66 HG1 THR 10 1HG THR 10 0.363 6.450 -9.464
67 HG21 THR 10 3HG2 THR 10 3.082 6.224 -8.620
68 HG22 THR 10 1HG2 THR 10 3.473 7.747 -7.820
69 HG23 THR 10 2HG2 THR 10 2.914 7.751 -9.493
70 H GLU 11 H GLU 11 -0.916 6.995 -5.406
71 HA GLU 11 HA GLU 11 -1.650 9.831 -5.366
72 HB2 GLU 11 2HB GLU 11 -3.916 9.182 -5.260
73 HB3 GLU 11 1HB GLU 11 -3.178 8.095 -6.427
74 HG2 GLU 11 2HG GLU 11 -3.533 6.275 -5.161
75 HG3 GLU 11 1HG GLU 11 -3.214 7.129 -3.653
76 H GLY 12 H GLY 12 -0.288 7.562 -3.418
77 HA2 GLY 12 2HA GLY 12 0.285 7.692 -1.186
78 HA3 GLY 12 1HA GLY 12 -0.716 9.129 -1.049
79 H PHE 13 H PHE 13 -0.977 7.713 1.052
80 HA PHE 13 HA PHE 13 -2.853 5.581 0.900
81 HD1 PHE 13 2HD PHE 13 -4.884 6.025 3.419
82 HD2 PHE 13 1HD PHE 13 -1.103 4.101 3.705
83 HE1 PHE 13 2HE PHE 13 -5.952 4.112 4.526
84 HE2 PHE 13 1HE PHE 13 -2.158 2.176 4.807
85 HZ PHE 13 HZ PHE 13 -4.590 2.176 5.220
86 HB2 PHE 13 2HB PHE 13 -1.201 6.215 2.827
87 HB3 PHE 13 1HB PHE 13 -2.515 7.254 3.365
88 H ASN 14 H ASN 14 -4.792 5.970 0.033
89 HA ASN 14 HA ASN 14 -6.330 8.253 0.981
90 HB2 ASN 14 2HB ASN 14 -6.150 7.038 -1.482
91 HB3 ASN 14 1HB ASN 14 -7.634 6.356 -0.817
92 HD21 ASN 14 1HD2 ASN 14 -9.322 7.381 -1.393
93 HD22 ASN 14 2HD2 ASN 14 -9.471 9.085 -1.648
94 H VAL 15 H VAL 15 -7.204 7.855 2.919
95 HA VAL 15 HA VAL 15 -7.957 5.182 3.722
96 HB VAL 15 HB VAL 15 -8.917 7.426 5.382
97 HG11 VAL 15 1HG1 VAL 15 -7.120 5.635 6.685
98 HG12 VAL 15 2HG1 VAL 15 -8.234 4.709 5.676
99 HG13 VAL 15 3HG1 VAL 15 -8.861 5.812 6.900
100 HG21 VAL 15 3HG2 VAL 15 -6.267 7.318 6.155
101 HG22 VAL 15 1HG2 VAL 15 -7.038 8.641 5.280
102 HG23 VAL 15 2HG2 VAL 15 -6.180 7.383 4.394
103 H ASP 16 H ASP 16 -9.280 5.975 1.458
104 HA ASP 16 HA ASP 16 -12.063 6.029 2.375
105 HB2 ASP 16 2HB ASP 16 -12.445 7.897 1.189
106 HB3 ASP 16 1HB ASP 16 -10.756 7.937 0.706
107 H LYS 17 H LYS 17 -9.616 4.547 0.522
108 HA LYS 17 HA LYS 17 -11.477 3.210 -1.260
109 HB2 LYS 17 2HB LYS 17 -8.496 3.478 -1.153
110 HB3 LYS 17 1HB LYS 17 -9.216 2.170 -2.080
111 HG2 LYS 17 2HG LYS 17 -9.504 5.126 -2.508
112 HG3 LYS 17 1HG LYS 17 -8.827 3.917 -3.601
113 HD2 LYS 17 2HD LYS 17 -11.034 2.910 -3.866
114 HD3 LYS 17 1HD LYS 17 -11.716 4.090 -2.746
115 HE2 LYS 17 2HE LYS 17 -10.444 4.682 -5.407
116 HE3 LYS 17 1HE LYS 17 -12.167 4.725 -5.035
117 HZ1 LYS 17 3HZ LYS 17 -10.103 6.677 -4.470
118 HZ2 LYS 17 1HZ LYS 17 -11.161 6.383 -3.170
119 HZ3 LYS 17 2HZ LYS 17 -11.774 6.889 -4.671
120 H LYS 18 H LYS 18 -10.455 0.843 -1.721
121 HA LYS 18 HA LYS 18 -11.180 -0.615 0.673
122 HB2 LYS 18 2HB LYS 18 -10.529 -1.785 -2.034
123 HB3 LYS 18 1HB LYS 18 -11.503 -2.496 -0.754
124 HG2 LYS 18 2HG LYS 18 -13.185 -1.801 -2.102
125 HG3 LYS 18 1HG LYS 18 -12.960 -0.309 -1.188
126 HD2 LYS 18 2HD LYS 18 -11.612 0.631 -2.945
127 HD3 LYS 18 1HD LYS 18 -11.614 -0.898 -3.824
128 HE2 LYS 18 2HE LYS 18 -14.313 -0.144 -3.328
129 HE3 LYS 18 1HE LYS 18 -13.462 1.257 -3.990
130 HZ1 LYS 18 3HZ LYS 18 -13.091 0.216 -5.963
131 HZ2 LYS 18 1HZ LYS 18 -14.548 -0.545 -5.539
132 HZ3 LYS 18 2HZ LYS 18 -13.070 -1.341 -5.297
133 H CYS 19 H CYS 19 -8.696 -1.293 -1.800
134 HA CYS 19 HA CYS 19 -6.863 -2.039 0.353
135 HB2 CYS 19 2HB CYS 19 -6.056 -3.612 -1.037
136 HB3 CYS 19 1HB CYS 19 -7.403 -3.236 -2.101
137 H GLN 20 H GLN 20 -4.927 -0.979 0.668
138 HA GLN 20 HA GLN 20 -4.553 1.479 -0.900
139 HB2 GLN 20 2HB GLN 20 -3.624 1.739 1.838
140 HB3 GLN 20 1HB GLN 20 -4.681 2.798 0.915
141 HG2 GLN 20 2HG GLN 20 -5.715 0.266 2.136
142 HG3 GLN 20 1HG GLN 20 -5.544 1.737 3.092
143 HE21 GLN 20 1HE2 GLN 20 -7.907 1.247 3.250
144 HE22 GLN 20 2HE2 GLN 20 -8.945 1.970 2.071
145 H CYS 21 H CYS 21 -2.421 2.157 -1.229
146 HA CYS 21 HA CYS 21 -0.327 0.540 0.029
147 HB2 CYS 21 2HB CYS 21 -0.544 1.288 -2.889
148 HB3 CYS 21 1HB CYS 21 0.976 0.805 -2.153
149 H ASP 22 H ASP 22 0.800 1.860 1.243
150 HA ASP 22 HA ASP 22 1.913 4.290 0.155
151 HB2 ASP 22 2HB ASP 22 -0.328 4.915 1.208
152 HB3 ASP 22 1HB ASP 22 0.372 4.447 2.752
153 H GLU 23 H GLU 23 3.395 5.283 1.981
154 HA GLU 23 HA GLU 23 4.959 3.231 3.188
155 HB2 GLU 23 2HB GLU 23 6.424 4.887 3.747
156 HB3 GLU 23 1HB GLU 23 5.521 5.757 2.519
157 HG2 GLU 23 2HG GLU 23 5.034 7.324 3.991
158 HG3 GLU 23 1HG GLU 23 4.193 6.137 4.985
159 H LEU 24 H LEU 24 2.215 5.144 4.115
160 HA LEU 24 HA LEU 24 2.322 4.444 6.918
161 HG LEU 24 HG LEU 24 2.086 7.243 5.775
162 HB2 LEU 24 2HB LEU 24 0.238 5.780 5.205
163 HB3 LEU 24 1HB LEU 24 -0.026 5.422 6.901
164 HD11 LEU 24 1HD1 LEU 24 0.414 8.708 5.747
165 HD12 LEU 24 2HD1 LEU 24 0.522 8.677 7.506
166 HD13 LEU 24 3HD1 LEU 24 -0.645 7.646 6.677
167 HD21 LEU 24 3HD2 LEU 24 3.007 6.235 7.713
168 HD22 LEU 24 1HD2 LEU 24 1.488 6.390 8.595
169 HD23 LEU 24 2HD2 LEU 24 2.430 7.828 8.198
170 H CYS 25 H CYS 25 1.992 2.414 4.574
171 HA CYS 25 HA CYS 25 -0.522 1.210 4.779
172 HB2 CYS 25 2HB CYS 25 0.359 -0.055 3.164
173 HB3 CYS 25 1HB CYS 25 1.938 0.657 3.477
174 H SER 26 H SER 26 2.415 0.726 6.682
175 HA SER 26 HA SER 26 1.353 -1.405 8.251
176 HG SER 26 HG SER 26 4.785 -0.537 7.427
177 HB2 SER 26 2HB SER 26 3.469 -0.044 9.601
178 HB3 SER 26 1HB SER 26 3.531 -1.591 8.752
179 H TYR 27 H TYR 27 1.242 2.044 8.399
180 HA TYR 27 HA TYR 27 0.792 2.385 11.162
181 HD1 TYR 27 2HD TYR 27 0.850 4.752 12.374
182 HD2 TYR 27 1HD TYR 27 -1.812 5.395 9.116
183 HE1 TYR 27 2HE TYR 27 -0.454 6.319 13.751
184 HE2 TYR 27 1HE TYR 27 -3.121 6.962 10.480
185 HH TYR 27 HH TYR 27 -2.218 8.501 12.877
186 HB2 TYR 27 2HB TYR 27 1.453 4.289 9.862
187 HB3 TYR 27 1HB TYR 27 0.083 4.102 8.775
188 H TYR 28 H TYR 28 -1.471 2.190 8.422
189 HA TYR 28 HA TYR 28 -3.735 2.030 10.242
190 HD1 TYR 28 2HD TYR 28 -5.915 3.461 9.701
191 HD2 TYR 28 1HD TYR 28 -2.864 4.338 6.874
192 HE1 TYR 28 2HE TYR 28 -6.409 5.859 9.920
193 HE2 TYR 28 1HE TYR 28 -3.344 6.740 7.085
194 HH TYR 28 HH TYR 28 -5.967 7.998 8.102
195 HB2 TYR 28 2HB TYR 28 -3.454 2.120 7.248
196 HB3 TYR 28 1HB TYR 28 -4.991 1.732 8.010
197 H GLN 29 H GLN 29 -1.567 -0.065 8.731
198 HA GLN 29 HA GLN 29 -1.406 -2.302 8.457
199 HB2 GLN 29 2HB GLN 29 -2.403 -2.037 10.920
200 HB3 GLN 29 1HB GLN 29 -3.771 -2.860 10.181
201 HG2 GLN 29 2HG GLN 29 -1.524 -4.297 9.367
202 HG3 GLN 29 1HG GLN 29 -1.250 -3.920 11.067
203 HE21 GLN 29 1HE2 GLN 29 -4.191 -4.647 9.221
204 HE22 GLN 29 2HE2 GLN 29 -4.673 -5.985 10.208
205 H SER 30 H SER 30 -2.619 -1.096 6.436
206 HA SER 30 HA SER 30 -4.513 -3.091 5.512
207 HG SER 30 HG SER 30 -5.606 -1.984 7.354
208 HB2 SER 30 2HB SER 30 -5.206 -0.142 5.494
209 HB3 SER 30 1HB SER 30 -6.167 -1.432 4.769
210 H CYS 31 H CYS 31 -2.430 -3.435 4.342
211 HA CYS 31 HA CYS 31 -2.278 -1.703 1.970
212 HB2 CYS 31 2HB CYS 31 -0.014 -3.436 2.120
213 HB3 CYS 31 1HB CYS 31 -0.052 -1.679 2.232
214 H CYS 32 H CYS 32 -2.209 -2.696 -0.082
215 HA CYS 32 HA CYS 32 -3.480 -5.262 -0.245
216 HB2 CYS 32 2HB CYS 32 -2.238 -4.250 -2.702
217 HB3 CYS 32 1HB CYS 32 -3.910 -4.701 -2.390
218 H THR 33 H THR 33 -2.571 -7.146 -1.304
219 HA THR 33 HA THR 33 -0.124 -7.874 -0.153
220 HB THR 33 HB THR 33 -0.908 -9.504 -2.448
221 HG1 THR 33 1HG THR 33 -2.884 -10.020 -0.866
222 HG21 THR 33 3HG2 THR 33 0.221 -10.811 -0.998
223 HG22 THR 33 1HG2 THR 33 -1.345 -10.979 -0.206
224 HG23 THR 33 2HG2 THR 33 -0.180 -9.794 0.387
225 H ASP 34 H ASP 34 -0.892 -6.658 -3.343
226 HA ASP 34 HA ASP 34 1.717 -7.356 -4.407
227 HB2 ASP 34 2HB ASP 34 -0.855 -6.589 -5.497
228 HB3 ASP 34 1HB ASP 34 0.444 -5.655 -6.229
229 H TYR 35 H TYR 35 1.465 -5.401 -2.179
230 HA TYR 35 HA TYR 35 1.817 -2.770 -3.171
231 HD1 TYR 35 2HD TYR 35 2.126 -0.671 -2.062
232 HD2 TYR 35 1HD TYR 35 3.832 -3.073 1.000
233 HE1 TYR 35 2HE TYR 35 3.387 1.274 -1.258
234 HE2 TYR 35 1HE TYR 35 5.104 -1.134 1.820
235 HH TYR 35 HH TYR 35 4.538 1.703 1.500
236 HB2 TYR 35 2HB TYR 35 1.061 -3.002 -0.921
237 HB3 TYR 35 1HB TYR 35 2.404 -4.060 -0.505
238 H THR 36 H THR 36 4.087 -5.204 -1.959
239 HA THR 36 HA THR 36 6.361 -3.542 -2.357
240 HB THR 36 HB THR 36 7.421 -6.006 -2.105
241 HG1 THR 36 1HG THR 36 6.008 -7.271 -0.865
242 HG21 THR 36 3HG2 THR 36 7.788 -5.428 0.107
243 HG22 THR 36 1HG2 THR 36 6.163 -4.767 0.307
244 HG23 THR 36 2HG2 THR 36 7.378 -3.863 -0.600
245 H ALA 37 H ALA 37 4.681 -5.932 -4.238
246 HA ALA 37 HA ALA 37 6.751 -6.461 -6.103
247 HB1 ALA 37 3HB ALA 37 5.297 -8.122 -6.423
248 HB2 ALA 37 1HB ALA 37 4.400 -6.989 -7.434
249 HB3 ALA 37 2HB ALA 37 3.961 -7.196 -5.740
250 H GLU 38 H GLU 38 3.851 -4.389 -6.273
251 HA GLU 38 HA GLU 38 4.692 -3.465 -8.895
252 HB2 GLU 38 2HB GLU 38 2.173 -3.189 -7.292
253 HB3 GLU 38 1HB GLU 38 2.445 -2.216 -8.732
254 HG2 GLU 38 2HG GLU 38 2.922 -5.098 -9.051
255 HG3 GLU 38 1HG GLU 38 1.253 -4.636 -8.727
256 H CYS 39 H CYS 39 4.264 -2.132 -5.638
257 HA CYS 39 HA CYS 39 4.681 0.558 -6.601
258 HB2 CYS 39 2HB CYS 39 4.444 -0.518 -3.791
259 HB3 CYS 39 1HB CYS 39 4.588 1.189 -4.200
260 H LYS 40 H LYS 40 6.447 -1.584 -4.352
261 HA LYS 40 HA LYS 40 8.641 -1.756 -3.806
262 HB2 LYS 40 2HB LYS 40 8.586 -1.603 -6.547
263 HB3 LYS 40 1HB LYS 40 9.709 -0.315 -6.126
264 HG2 LYS 40 2HG LYS 40 11.308 -1.748 -5.494
265 HG3 LYS 40 1HG LYS 40 10.163 -2.836 -4.706
266 HD2 LYS 40 2HD LYS 40 9.907 -2.771 -7.615
267 HD3 LYS 40 1HD LYS 40 11.482 -3.339 -7.055
268 HE2 LYS 40 2HE LYS 40 10.527 -5.108 -5.832
269 HE3 LYS 40 1HE LYS 40 8.912 -4.406 -5.925
270 HZ1 LYS 40 3HZ LYS 40 9.154 -6.285 -7.419
271 HZ2 LYS 40 1HZ LYS 40 10.449 -5.526 -8.207
272 HZ3 LYS 40 2HZ LYS 40 8.894 -4.860 -8.301
273 HA PRO 41 HA PRO 41 8.516 2.608 -2.295
274 HB2 PRO 41 2HB PRO 41 9.008 1.958 0.303
275 HB3 PRO 41 1HB PRO 41 7.394 1.959 -0.415
276 HG2 PRO 41 2HG PRO 41 9.242 -0.341 0.077
277 HG3 PRO 41 1HG PRO 41 7.494 -0.234 0.340
278 HD2 PRO 41 2HD PRO 41 8.547 -1.461 -1.815
279 HD3 PRO 41 1HD PRO 41 7.005 -0.583 -1.883
280 H GLN 42 H GLN 42 10.905 0.257 -2.546
281 HA GLN 42 HA GLN 42 13.175 0.273 -2.535
282 HB2 GLN 42 2HB GLN 42 12.360 2.876 -3.399
283 HB3 GLN 42 1HB GLN 42 13.804 3.042 -2.411
284 HG2 GLN 42 2HG GLN 42 13.508 1.286 -4.836
285 HG3 GLN 42 1HG GLN 42 14.369 2.819 -4.760
286 HE21 GLN 42 1HE2 GLN 42 16.027 2.816 -2.837
287 HE22 GLN 42 2HE2 GLN 42 17.060 1.422 -2.789
288 H VAL 43 H VAL 43 11.795 0.259 0.009
289 HA VAL 43 HA VAL 43 13.665 1.711 1.729
290 HB VAL 43 HB VAL 43 11.123 0.248 2.473
291 HG11 VAL 43 1HG1 VAL 43 13.226 0.679 4.114
292 HG12 VAL 43 2HG1 VAL 43 11.547 0.634 4.649
293 HG13 VAL 43 3HG1 VAL 43 12.329 2.182 4.333
294 HG21 VAL 43 3HG2 VAL 43 11.746 3.127 1.928
295 HG22 VAL 43 1HG2 VAL 43 10.452 2.685 3.044
296 HG23 VAL 43 2HG2 VAL 43 10.389 2.151 1.364
297 H THR 44 H THR 44 15.474 0.601 1.982
298 HA THR 44 HA THR 44 15.417 -2.288 2.321
299 HB THR 44 HB THR 44 18.021 -1.286 2.769
300 HG1 THR 44 1HG THR 44 17.540 -0.285 0.299
301 HG21 THR 44 3HG2 THR 44 17.178 -3.378 1.554
302 HG22 THR 44 1HG2 THR 44 18.592 -2.565 0.884
303 HG23 THR 44 2HG2 THR 44 17.011 -2.337 0.140
304 H ARG 45 H ARG 45 15.028 0.380 4.201
305 HA ARG 45 HA ARG 45 14.807 0.710 6.419
306 HE ARG 45 HE ARG 45 13.969 1.713 8.265
307 HB2 ARG 45 2HB ARG 45 13.932 -1.552 6.600
308 HB3 ARG 45 1HB ARG 45 15.562 -2.204 6.664
309 HG2 ARG 45 2HG ARG 45 14.756 -2.212 8.875
310 HG3 ARG 45 1HG ARG 45 15.890 -0.866 8.774
311 HD2 ARG 45 2HD ARG 45 12.998 -0.355 8.263
312 HD3 ARG 45 1HD ARG 45 13.537 -0.586 9.925
313 HH11 ARG 45 1HH1 ARG 45 15.255 -0.141 10.960
314 HH12 ARG 45 2HH1 ARG 45 16.206 1.179 11.578
315 HH21 ARG 45 1HH2 ARG 45 15.245 3.435 9.069
316 HH22 ARG 45 2HH2 ARG 45 16.207 3.205 10.501
317 H GLY 46 H GLY 46 17.645 -1.409 5.940
318 HA2 GLY 46 2HA GLY 46 19.892 -0.682 6.208
319 HA3 GLY 46 1HA GLY 46 19.310 0.697 7.134
320 H ASP 47 H ASP 47 18.179 -2.539 7.664
321 HA ASP 47 HA ASP 47 18.844 -2.433 10.441
322 HB2 ASP 47 2HB ASP 47 16.824 -3.557 9.833
323 HB3 ASP 47 1HB ASP 47 17.668 -4.589 8.683
Start of MODEL 7
1 HA ASP 1 HA ASP 1 -12.844 -7.206 -7.916
2 H1 ASP 1 1HT ASP 1 -12.945 -7.925 -5.876
3 H2 ASP 1 2HT ASP 1 -13.689 -6.498 -5.356
4 H3 ASP 1 3HT ASP 1 -12.002 -6.624 -5.334
5 HB2 ASP 1 2HB ASP 1 -14.053 -5.238 -8.585
6 HB3 ASP 1 1HB ASP 1 -14.931 -6.002 -7.264
7 H GLN 2 H GLN 2 -11.279 -5.142 -5.556
8 HA GLN 2 HA GLN 2 -9.140 -4.686 -7.458
9 HB2 GLN 2 2HB GLN 2 -9.098 -2.233 -7.048
10 HB3 GLN 2 1HB GLN 2 -10.501 -2.773 -7.959
11 HG2 GLN 2 2HG GLN 2 -11.947 -2.154 -6.350
12 HG3 GLN 2 1HG GLN 2 -10.860 -2.621 -5.043
13 HE21 GLN 2 1HE2 GLN 2 -11.910 -0.091 -7.131
14 HE22 GLN 2 2HE2 GLN 2 -10.994 1.181 -6.394
15 H GLU 3 H GLU 3 -8.888 -6.302 -5.410
16 HA GLU 3 HA GLU 3 -7.787 -4.865 -3.124
17 HB2 GLU 3 2HB GLU 3 -8.184 -7.814 -3.653
18 HB3 GLU 3 1HB GLU 3 -7.481 -7.162 -2.179
19 HG2 GLU 3 2HG GLU 3 -9.661 -7.469 -1.550
20 HG3 GLU 3 1HG GLU 3 -9.682 -5.784 -2.064
21 H SER 4 H SER 4 -6.775 -5.877 -6.074
22 HA SER 4 HA SER 4 -4.057 -6.538 -5.309
23 HG SER 4 HG SER 4 -6.032 -7.932 -8.248
24 HB2 SER 4 2HB SER 4 -4.386 -6.146 -8.132
25 HB3 SER 4 1HB SER 4 -4.097 -7.653 -7.260
26 H CYS 5 H CYS 5 -2.398 -5.128 -5.367
27 HA CYS 5 HA CYS 5 -3.024 -2.343 -5.944
28 HB2 CYS 5 2HB CYS 5 -1.586 -3.347 -3.951
29 HB3 CYS 5 1HB CYS 5 -0.283 -3.188 -5.123
30 H LYS 6 H LYS 6 -2.118 -1.125 -7.526
31 HA LYS 6 HA LYS 6 -0.153 -2.371 -9.307
32 HB2 LYS 6 2HB LYS 6 -2.744 -1.046 -10.086
33 HB3 LYS 6 1HB LYS 6 -1.388 -1.118 -11.199
34 HG2 LYS 6 2HG LYS 6 -2.674 -3.528 -9.936
35 HG3 LYS 6 1HG LYS 6 -3.070 -2.902 -11.536
36 HD2 LYS 6 2HD LYS 6 -1.287 -3.879 -12.452
37 HD3 LYS 6 1HD LYS 6 -0.214 -3.262 -11.191
38 HE2 LYS 6 2HE LYS 6 -0.827 -5.082 -9.728
39 HE3 LYS 6 1HE LYS 6 -2.014 -5.663 -10.895
40 HZ1 LYS 6 3HZ LYS 6 0.941 -5.686 -11.134
41 HZ2 LYS 6 1HZ LYS 6 -0.084 -5.942 -12.467
42 HZ3 LYS 6 2HZ LYS 6 -0.124 -7.007 -11.148
43 H GLY 7 H GLY 7 -1.870 0.714 -9.490
44 HA2 GLY 7 2HA GLY 7 0.647 2.081 -8.815
45 HA3 GLY 7 1HA GLY 7 -0.279 2.542 -10.238
46 H ARG 8 H ARG 8 -0.952 1.916 -6.795
47 HA ARG 8 HA ARG 8 -2.277 4.539 -6.704
48 HE ARG 8 HE ARG 8 -3.874 -0.945 -4.097
49 HB2 ARG 8 2HB ARG 8 -3.847 3.469 -4.975
50 HB3 ARG 8 1HB ARG 8 -4.131 3.106 -6.670
51 HG2 ARG 8 2HG ARG 8 -3.751 0.928 -6.389
52 HG3 ARG 8 1HG ARG 8 -2.351 1.206 -5.349
53 HD2 ARG 8 2HD ARG 8 -3.652 1.334 -3.431
54 HD3 ARG 8 1HD ARG 8 -5.119 1.710 -4.333
55 HH11 ARG 8 1HH1 ARG 8 -6.637 1.070 -4.836
56 HH12 ARG 8 2HH1 ARG 8 -7.728 -0.261 -5.051
57 HH21 ARG 8 1HH2 ARG 8 -5.304 -2.714 -4.399
58 HH22 ARG 8 2HH2 ARG 8 -6.967 -2.419 -4.808
59 H CYS 9 H CYS 9 0.408 3.634 -5.984
60 HA CYS 9 HA CYS 9 0.341 4.172 -3.084
61 HB2 CYS 9 2HB CYS 9 2.949 3.451 -3.735
62 HB3 CYS 9 1HB CYS 9 1.741 2.411 -2.988
63 H THR 10 H THR 10 0.955 5.536 -6.077
64 HA THR 10 HA THR 10 3.068 7.326 -5.228
65 HB THR 10 HB THR 10 2.118 8.160 -7.717
66 HG1 THR 10 1HG THR 10 1.328 6.434 -8.692
67 HG21 THR 10 3HG2 THR 10 4.211 7.516 -8.479
68 HG22 THR 10 1HG2 THR 10 4.245 6.068 -7.474
69 HG23 THR 10 2HG2 THR 10 4.494 7.654 -6.744
70 H GLU 11 H GLU 11 -0.297 7.251 -5.114
71 HA GLU 11 HA GLU 11 -0.606 10.148 -5.335
72 HB2 GLU 11 2HB GLU 11 -2.804 8.139 -4.861
73 HB3 GLU 11 1HB GLU 11 -2.948 9.773 -5.494
74 HG2 GLU 11 2HG GLU 11 -1.546 7.525 -6.921
75 HG3 GLU 11 1HG GLU 11 -3.225 7.987 -7.190
76 H GLY 12 H GLY 12 -0.268 7.691 -3.009
77 HA2 GLY 12 2HA GLY 12 0.168 8.499 -0.717
78 HA3 GLY 12 1HA GLY 12 -1.269 9.499 -0.908
79 H PHE 13 H PHE 13 -1.541 8.159 1.217
80 HA PHE 13 HA PHE 13 -2.517 5.483 0.798
81 HD1 PHE 13 2HD PHE 13 -4.928 5.556 3.400
82 HD2 PHE 13 1HD PHE 13 -0.915 4.160 3.525
83 HE1 PHE 13 2HE PHE 13 -5.697 3.453 4.414
84 HE2 PHE 13 1HE PHE 13 -1.668 2.058 4.543
85 HZ PHE 13 HZ PHE 13 -4.063 1.697 4.987
86 HB2 PHE 13 2HB PHE 13 -1.331 6.348 2.905
87 HB3 PHE 13 1HB PHE 13 -2.868 7.104 3.315
88 H ASN 14 H ASN 14 -4.373 5.297 -0.265
89 HA ASN 14 HA ASN 14 -6.569 7.117 0.095
90 HB2 ASN 14 2HB ASN 14 -6.037 4.707 -1.547
91 HB3 ASN 14 1HB ASN 14 -7.722 4.977 -1.091
92 HD21 ASN 14 1HD2 ASN 14 -8.673 7.013 -1.634
93 HD22 ASN 14 2HD2 ASN 14 -8.119 7.859 -3.045
94 H VAL 15 H VAL 15 -7.227 7.077 2.234
95 HA VAL 15 HA VAL 15 -7.663 4.501 3.511
96 HB VAL 15 HB VAL 15 -8.656 6.813 4.996
97 HG11 VAL 15 1HG1 VAL 15 -6.390 5.381 6.105
98 HG12 VAL 15 2HG1 VAL 15 -7.646 4.289 5.520
99 HG13 VAL 15 3HG1 VAL 15 -8.041 5.529 6.712
100 HG21 VAL 15 3HG2 VAL 15 -6.045 7.011 3.681
101 HG22 VAL 15 1HG2 VAL 15 -6.003 7.267 5.424
102 HG23 VAL 15 2HG2 VAL 15 -7.046 8.266 4.414
103 H ASP 16 H ASP 16 -9.251 5.000 1.259
104 HA ASP 16 HA ASP 16 -11.915 5.018 2.464
105 HB2 ASP 16 2HB ASP 16 -12.801 6.589 0.991
106 HB3 ASP 16 1HB ASP 16 -11.216 7.265 1.357
107 H LYS 17 H LYS 17 -9.706 3.521 0.398
108 HA LYS 17 HA LYS 17 -11.752 2.615 -1.458
109 HB2 LYS 17 2HB LYS 17 -8.838 2.911 -1.553
110 HB3 LYS 17 1HB LYS 17 -9.429 1.436 -2.305
111 HG2 LYS 17 2HG LYS 17 -10.169 4.267 -2.997
112 HG3 LYS 17 1HG LYS 17 -9.276 3.108 -3.988
113 HD2 LYS 17 2HD LYS 17 -11.152 2.105 -4.711
114 HD3 LYS 17 1HD LYS 17 -11.918 2.169 -3.125
115 HE2 LYS 17 2HE LYS 17 -11.611 4.684 -4.707
116 HE3 LYS 17 1HE LYS 17 -12.876 3.538 -5.143
117 HZ1 LYS 17 3HZ LYS 17 -13.904 4.983 -3.673
118 HZ2 LYS 17 1HZ LYS 17 -12.569 5.078 -2.632
119 HZ3 LYS 17 2HZ LYS 17 -13.514 3.666 -2.683
120 H LYS 18 H LYS 18 -10.905 0.216 -2.276
121 HA LYS 18 HA LYS 18 -11.767 -1.500 -0.123
122 HB2 LYS 18 2HB LYS 18 -11.284 -1.828 -3.062
123 HB3 LYS 18 1HB LYS 18 -11.393 -3.256 -2.043
124 HG2 LYS 18 2HG LYS 18 -13.555 -2.974 -2.849
125 HG3 LYS 18 1HG LYS 18 -13.619 -2.272 -1.232
126 HD2 LYS 18 2HD LYS 18 -14.591 -0.543 -2.303
127 HD3 LYS 18 1HD LYS 18 -12.926 -0.099 -2.682
128 HE2 LYS 18 2HE LYS 18 -14.297 -0.004 -4.679
129 HE3 LYS 18 1HE LYS 18 -13.102 -1.290 -4.817
130 HZ1 LYS 18 3HZ LYS 18 -15.612 -2.160 -3.706
131 HZ2 LYS 18 1HZ LYS 18 -14.680 -2.845 -4.949
132 HZ3 LYS 18 2HZ LYS 18 -15.745 -1.568 -5.288
133 H CYS 19 H CYS 19 -8.846 -0.455 -1.461
134 HA CYS 19 HA CYS 19 -7.291 -2.013 0.347
135 HB2 CYS 19 2HB CYS 19 -7.747 -3.519 -1.723
136 HB3 CYS 19 1HB CYS 19 -6.621 -2.447 -2.553
137 H GLN 20 H GLN 20 -5.217 -1.117 0.603
138 HA GLN 20 HA GLN 20 -4.856 1.422 -0.829
139 HB2 GLN 20 2HB GLN 20 -3.904 1.737 1.824
140 HB3 GLN 20 1HB GLN 20 -5.226 2.594 1.038
141 HG2 GLN 20 2HG GLN 20 -5.683 -0.099 2.260
142 HG3 GLN 20 1HG GLN 20 -5.622 1.340 3.273
143 HE21 GLN 20 1HE2 GLN 20 -7.799 0.931 3.857
144 HE22 GLN 20 2HE2 GLN 20 -9.099 1.332 2.794
145 H CYS 21 H CYS 21 -2.731 2.187 -1.038
146 HA CYS 21 HA CYS 21 -0.577 0.562 0.109
147 HB2 CYS 21 2HB CYS 21 -0.810 1.317 -2.813
148 HB3 CYS 21 1HB CYS 21 0.644 0.661 -2.070
149 H ASP 22 H ASP 22 0.567 1.986 1.269
150 HA ASP 22 HA ASP 22 1.789 4.214 -0.115
151 HB2 ASP 22 2HB ASP 22 -0.314 5.142 0.974
152 HB3 ASP 22 1HB ASP 22 0.411 4.737 2.526
153 H GLU 23 H GLU 23 3.387 5.300 1.637
154 HA GLU 23 HA GLU 23 4.944 3.284 2.909
155 HB2 GLU 23 2HB GLU 23 5.949 5.402 2.216
156 HB3 GLU 23 1HB GLU 23 4.882 6.289 3.297
157 HG2 GLU 23 2HG GLU 23 5.964 4.798 5.133
158 HG3 GLU 23 1HG GLU 23 7.250 4.604 3.941
159 H LEU 24 H LEU 24 2.260 5.304 3.811
160 HA LEU 24 HA LEU 24 2.379 4.760 6.628
161 HG LEU 24 HG LEU 24 2.403 7.188 5.497
162 HB2 LEU 24 2HB LEU 24 0.164 5.839 4.890
163 HB3 LEU 24 1HB LEU 24 0.090 5.742 6.639
164 HD11 LEU 24 1HD1 LEU 24 1.208 8.579 4.246
165 HD12 LEU 24 2HD1 LEU 24 0.408 9.128 5.717
166 HD13 LEU 24 3HD1 LEU 24 -0.305 7.832 4.758
167 HD21 LEU 24 3HD2 LEU 24 1.689 6.807 7.978
168 HD22 LEU 24 1HD2 LEU 24 0.586 8.146 7.662
169 HD23 LEU 24 2HD2 LEU 24 2.323 8.373 7.470
170 H CYS 25 H CYS 25 2.017 2.603 4.367
171 HA CYS 25 HA CYS 25 -0.411 1.305 4.737
172 HB2 CYS 25 2HB CYS 25 0.503 0.062 3.130
173 HB3 CYS 25 1HB CYS 25 2.075 0.780 3.439
174 H SER 26 H SER 26 2.627 0.980 6.551
175 HA SER 26 HA SER 26 1.641 -1.079 8.257
176 HG SER 26 HG SER 26 5.190 -0.079 7.461
177 HB2 SER 26 2HB SER 26 3.808 0.353 9.454
178 HB3 SER 26 1HB SER 26 3.831 -1.238 8.692
179 H TYR 27 H TYR 27 1.553 2.380 8.282
180 HA TYR 27 HA TYR 27 1.117 2.779 11.050
181 HD1 TYR 27 1HD TYR 27 0.896 5.263 12.227
182 HD2 TYR 27 2HD TYR 27 -1.262 5.758 8.586
183 HE1 TYR 27 1HE TYR 27 -0.560 6.923 13.312
184 HE2 TYR 27 2HE TYR 27 -2.717 7.409 9.673
185 HH TYR 27 HH TYR 27 -3.121 8.593 11.485
186 HB2 TYR 27 2HB TYR 27 1.845 4.667 9.842
187 HB3 TYR 27 1HB TYR 27 0.641 4.434 8.583
188 H TYR 28 H TYR 28 -1.085 2.458 8.283
189 HA TYR 28 HA TYR 28 -3.392 2.467 10.063
190 HD1 TYR 28 1HD TYR 28 -5.394 3.884 9.552
191 HD2 TYR 28 2HD TYR 28 -2.619 4.518 6.396
192 HE1 TYR 28 1HE TYR 28 -5.901 6.289 9.602
193 HE2 TYR 28 2HE TYR 28 -3.109 6.929 6.434
194 HH TYR 28 HH TYR 28 -5.743 8.248 7.788
195 HB2 TYR 28 2HB TYR 28 -3.047 2.366 7.077
196 HB3 TYR 28 1HB TYR 28 -4.602 2.026 7.820
197 H GLN 29 H GLN 29 -1.218 0.237 8.760
198 HA GLN 29 HA GLN 29 -1.142 -2.005 8.461
199 HB2 GLN 29 2HB GLN 29 -3.077 -1.707 10.723
200 HB3 GLN 29 1HB GLN 29 -2.833 -3.296 10.012
201 HG2 GLN 29 2HG GLN 29 -0.988 -3.574 11.189
202 HG3 GLN 29 1HG GLN 29 -0.289 -2.116 10.491
203 HE21 GLN 29 1HE2 GLN 29 0.132 -0.497 11.814
204 HE22 GLN 29 2HE2 GLN 29 -0.508 -0.312 13.413
205 H SER 30 H SER 30 -2.287 -0.947 6.422
206 HA SER 30 HA SER 30 -4.290 -2.856 5.612
207 HG SER 30 HG SER 30 -5.340 -1.740 7.431
208 HB2 SER 30 2HB SER 30 -4.928 0.108 5.521
209 HB3 SER 30 1HB SER 30 -5.938 -1.195 4.892
210 H CYS 31 H CYS 31 -2.318 -3.321 4.387
211 HA CYS 31 HA CYS 31 -2.238 -1.705 1.931
212 HB2 CYS 31 2HB CYS 31 0.165 -3.139 2.058
213 HB3 CYS 31 1HB CYS 31 -0.046 -1.410 2.302
214 H CYS 32 H CYS 32 -2.142 -2.824 -0.015
215 HA CYS 32 HA CYS 32 -3.177 -5.471 -0.061
216 HB2 CYS 32 2HB CYS 32 -1.816 -4.135 -2.386
217 HB3 CYS 32 1HB CYS 32 -3.129 -5.306 -2.414
218 H THR 33 H THR 33 -2.156 -7.360 -0.924
219 HA THR 33 HA THR 33 0.371 -7.877 0.193
220 HB THR 33 HB THR 33 -0.226 -9.788 -1.850
221 HG1 THR 33 1HG THR 33 -2.338 -9.234 -1.957
222 HG21 THR 33 3HG2 THR 33 0.524 -10.978 -0.115
223 HG22 THR 33 1HG2 THR 33 -1.069 -10.789 0.620
224 HG23 THR 33 2HG2 THR 33 0.221 -9.646 1.001
225 H ASP 34 H ASP 34 -0.615 -6.816 -2.984
226 HA ASP 34 HA ASP 34 2.011 -7.370 -4.121
227 HB2 ASP 34 2HB ASP 34 0.348 -5.845 -5.891
228 HB3 ASP 34 1HB ASP 34 0.916 -7.500 -6.068
229 H TYR 35 H TYR 35 1.460 -5.287 -1.998
230 HA TYR 35 HA TYR 35 1.767 -2.725 -3.161
231 HD1 TYR 35 1HD TYR 35 1.987 -0.519 -2.077
232 HD2 TYR 35 2HD TYR 35 3.903 -2.813 0.943
233 HE1 TYR 35 1HE TYR 35 3.262 1.462 -1.399
234 HE2 TYR 35 2HE TYR 35 5.191 -0.833 1.636
235 HH TYR 35 HH TYR 35 4.566 1.992 1.258
236 HB2 TYR 35 2HB TYR 35 1.013 -2.795 -0.907
237 HB3 TYR 35 1HB TYR 35 2.340 -3.840 -0.415
238 H THR 36 H THR 36 4.025 -5.065 -1.807
239 HA THR 36 HA THR 36 6.339 -3.516 -2.397
240 HB THR 36 HB THR 36 7.302 -6.017 -2.045
241 HG1 THR 36 1HG THR 36 5.823 -6.926 -0.397
242 HG21 THR 36 3HG2 THR 36 6.240 -4.528 0.321
243 HG22 THR 36 1HG2 THR 36 7.471 -3.791 -0.707
244 HG23 THR 36 2HG2 THR 36 7.804 -5.324 0.110
245 H ALA 37 H ALA 37 4.456 -5.908 -4.055
246 HA ALA 37 HA ALA 37 6.408 -6.703 -5.952
247 HB1 ALA 37 3HB ALA 37 4.098 -7.759 -5.227
248 HB2 ALA 37 1HB ALA 37 4.798 -8.057 -6.819
249 HB3 ALA 37 2HB ALA 37 3.523 -6.854 -6.627
250 H GLU 38 H GLU 38 3.880 -4.226 -5.969
251 HA GLU 38 HA GLU 38 4.592 -3.529 -8.718
252 HB2 GLU 38 2HB GLU 38 2.241 -2.893 -6.967
253 HB3 GLU 38 1HB GLU 38 2.556 -1.974 -8.435
254 HG2 GLU 38 2HG GLU 38 2.186 -4.959 -8.312
255 HG3 GLU 38 1HG GLU 38 0.939 -3.798 -8.766
256 H CYS 39 H CYS 39 4.157 -1.907 -5.555
257 HA CYS 39 HA CYS 39 5.131 0.584 -6.571
258 HB2 CYS 39 2HB CYS 39 4.986 -0.136 -3.653
259 HB3 CYS 39 1HB CYS 39 4.792 1.446 -4.405
260 H LYS 40 H LYS 40 6.498 -2.109 -4.781
261 HA LYS 40 HA LYS 40 8.624 -2.749 -4.340
262 HB2 LYS 40 2HB LYS 40 8.514 -2.592 -6.904
263 HB3 LYS 40 1HB LYS 40 9.477 -1.133 -6.726
264 HG2 LYS 40 2HG LYS 40 10.930 -2.978 -7.204
265 HG3 LYS 40 1HG LYS 40 11.199 -2.456 -5.541
266 HD2 LYS 40 2HD LYS 40 11.150 -4.880 -5.651
267 HD3 LYS 40 1HD LYS 40 9.747 -4.292 -4.755
268 HE2 LYS 40 2HE LYS 40 8.375 -5.324 -6.167
269 HE3 LYS 40 1HE LYS 40 9.086 -4.458 -7.530
270 HZ1 LYS 40 3HZ LYS 40 10.917 -6.211 -7.387
271 HZ2 LYS 40 1HZ LYS 40 9.417 -6.681 -8.033
272 HZ3 LYS 40 2HZ LYS 40 9.828 -7.101 -6.438
273 HA PRO 41 HA PRO 41 9.997 1.191 -2.326
274 HB2 PRO 41 2HB PRO 41 9.712 0.394 0.194
275 HB3 PRO 41 1HB PRO 41 8.293 0.880 -0.748
276 HG2 PRO 41 2HG PRO 41 9.374 -1.888 -0.278
277 HG3 PRO 41 1HG PRO 41 7.719 -1.295 -0.005
278 HD2 PRO 41 2HD PRO 41 8.416 -2.606 -2.253
279 HD3 PRO 41 1HD PRO 41 7.234 -1.280 -2.273
280 H GLN 42 H GLN 42 11.479 -0.976 -3.501
281 HA GLN 42 HA GLN 42 13.655 -1.622 -3.598
282 HB2 GLN 42 2HB GLN 42 13.745 0.051 -1.172
283 HB3 GLN 42 1HB GLN 42 14.996 -1.179 -1.296
284 HG2 GLN 42 2HG GLN 42 15.741 -0.281 -3.396
285 HG3 GLN 42 1HG GLN 42 14.400 0.864 -3.424
286 HE21 GLN 42 1HE2 GLN 42 14.844 2.840 -2.753
287 HE22 GLN 42 2HE2 GLN 42 16.138 3.291 -1.684
288 H VAL 43 H VAL 43 12.111 -2.152 -0.512
289 HA VAL 43 HA VAL 43 11.458 -4.077 0.527
290 HB VAL 43 HB VAL 43 12.791 -5.493 -1.788
291 HG11 VAL 43 1HG1 VAL 43 12.859 -6.936 0.153
292 HG12 VAL 43 2HG1 VAL 43 11.625 -7.513 -0.969
293 HG13 VAL 43 3HG1 VAL 43 11.153 -6.623 0.480
294 HG21 VAL 43 3HG2 VAL 43 10.500 -5.971 -2.493
295 HG22 VAL 43 1HG2 VAL 43 10.786 -4.234 -2.392
296 HG23 VAL 43 2HG2 VAL 43 9.881 -5.054 -1.121
297 H THR 44 H THR 44 12.370 -4.559 2.384
298 HA THR 44 HA THR 44 15.137 -4.338 2.863
299 HB THR 44 HB THR 44 13.939 -5.892 4.917
300 HG1 THR 44 1HG THR 44 11.912 -5.309 4.838
301 HG21 THR 44 3HG2 THR 44 15.588 -4.296 5.464
302 HG22 THR 44 1HG2 THR 44 14.087 -3.650 6.132
303 HG23 THR 44 2HG2 THR 44 14.729 -3.004 4.622
304 H ARG 45 H ARG 45 16.665 -5.727 2.314
305 HA ARG 45 HA ARG 45 16.010 -8.534 1.842
306 HE ARG 45 HE ARG 45 15.277 -9.826 -0.405
307 HB2 ARG 45 2HB ARG 45 18.424 -6.829 1.258
308 HB3 ARG 45 1HB ARG 45 18.467 -8.579 1.091
309 HG2 ARG 45 2HG ARG 45 16.269 -7.129 -0.264
310 HG3 ARG 45 1HG ARG 45 17.895 -6.974 -0.932
311 HD2 ARG 45 2HD ARG 45 17.570 -8.913 -1.962
312 HD3 ARG 45 1HD ARG 45 17.597 -9.686 -0.378
313 HH11 ARG 45 1HH1 ARG 45 16.460 -8.111 -3.225
314 HH12 ARG 45 2HH1 ARG 45 14.944 -8.195 -4.071
315 HH21 ARG 45 1HH2 ARG 45 13.284 -9.936 -1.514
316 HH22 ARG 45 2HH2 ARG 45 13.152 -9.262 -3.113
317 H GLY 46 H GLY 46 15.635 -8.343 4.362
318 HA2 GLY 46 2HA GLY 46 18.009 -9.560 5.584
319 HA3 GLY 46 1HA GLY 46 17.292 -8.171 6.386
320 H ASP 47 H ASP 47 15.640 -10.786 4.698
321 HA ASP 47 HA ASP 47 13.963 -11.231 7.014
322 HB2 ASP 47 2HB ASP 47 12.903 -11.214 4.831
323 HB3 ASP 47 1HB ASP 47 13.981 -12.483 4.259
Start of MODEL 8
1 HA ASP 1 HA ASP 1 -13.379 -7.661 -3.413
2 H1 ASP 1 1HT ASP 1 -13.600 -9.666 -2.451
3 H2 ASP 1 2HT ASP 1 -14.672 -8.797 -1.473
4 H3 ASP 1 3HT ASP 1 -13.109 -9.143 -0.916
5 HB2 ASP 1 2HB ASP 1 -14.865 -6.758 -1.343
6 HB3 ASP 1 1HB ASP 1 -13.319 -6.004 -0.960
7 H GLN 2 H GLN 2 -11.320 -9.118 -3.200
8 HA GLN 2 HA GLN 2 -9.212 -7.557 -1.873
9 HB2 GLN 2 2HB GLN 2 -9.359 -10.024 -1.386
10 HB3 GLN 2 1HB GLN 2 -8.975 -10.319 -3.077
11 HG2 GLN 2 2HG GLN 2 -6.815 -10.160 -2.638
12 HG3 GLN 2 1HG GLN 2 -7.042 -8.519 -2.031
13 HE21 GLN 2 1HE2 GLN 2 -5.732 -8.543 -0.294
14 HE22 GLN 2 2HE2 GLN 2 -5.897 -9.614 1.058
15 H GLU 3 H GLU 3 -9.025 -5.916 -3.363
16 HA GLU 3 HA GLU 3 -8.629 -6.493 -6.150
17 HB2 GLU 3 2HB GLU 3 -7.968 -3.891 -5.957
18 HB3 GLU 3 1HB GLU 3 -9.630 -4.455 -6.077
19 HG2 GLU 3 2HG GLU 3 -9.928 -4.269 -3.708
20 HG3 GLU 3 1HG GLU 3 -8.221 -3.892 -3.476
21 H SER 4 H SER 4 -6.689 -5.044 -7.058
22 HA SER 4 HA SER 4 -4.300 -5.899 -5.581
23 HG SER 4 HG SER 4 -3.584 -7.838 -6.681
24 HB2 SER 4 2HB SER 4 -4.972 -6.127 -8.493
25 HB3 SER 4 1HB SER 4 -3.287 -6.001 -7.982
26 H CYS 5 H CYS 5 -2.645 -4.517 -5.409
27 HA CYS 5 HA CYS 5 -3.170 -1.738 -5.943
28 HB2 CYS 5 2HB CYS 5 -1.444 -3.277 -4.247
29 HB3 CYS 5 1HB CYS 5 -0.475 -2.120 -5.157
30 H LYS 6 H LYS 6 -2.609 -0.673 -7.729
31 HA LYS 6 HA LYS 6 -0.649 -1.875 -9.532
32 HB2 LYS 6 2HB LYS 6 -2.912 0.003 -9.821
33 HB3 LYS 6 1HB LYS 6 -1.513 0.359 -10.822
34 HG2 LYS 6 2HG LYS 6 -3.329 -1.070 -11.838
35 HG3 LYS 6 1HG LYS 6 -1.676 -1.671 -11.969
36 HD2 LYS 6 2HD LYS 6 -2.742 -2.673 -9.549
37 HD3 LYS 6 1HD LYS 6 -3.964 -2.925 -10.798
38 HE2 LYS 6 2HE LYS 6 -2.818 -4.692 -11.495
39 HE3 LYS 6 1HE LYS 6 -1.511 -3.608 -11.966
40 HZ1 LYS 6 3HZ LYS 6 -0.242 -4.436 -10.379
41 HZ2 LYS 6 1HZ LYS 6 -1.450 -5.571 -10.012
42 HZ3 LYS 6 2HZ LYS 6 -1.395 -4.089 -9.186
43 H GLY 7 H GLY 7 -1.289 1.553 -9.252
44 HA2 GLY 7 2HA GLY 7 1.439 1.918 -8.181
45 HA3 GLY 7 1HA GLY 7 0.804 2.918 -9.479
46 H ARG 8 H ARG 8 -0.540 1.811 -6.366
47 HA ARG 8 HA ARG 8 -1.868 4.340 -6.012
48 HE ARG 8 HE ARG 8 -5.001 0.578 -7.199
49 HB2 ARG 8 2HB ARG 8 -1.633 2.314 -3.810
50 HB3 ARG 8 1HB ARG 8 -2.977 3.381 -4.192
51 HG2 ARG 8 2HG ARG 8 -2.274 1.347 -6.214
52 HG3 ARG 8 1HG ARG 8 -2.997 0.773 -4.709
53 HD2 ARG 8 2HD ARG 8 -4.764 2.581 -5.084
54 HD3 ARG 8 1HD ARG 8 -4.133 2.689 -6.726
55 HH11 ARG 8 1HH1 ARG 8 -5.531 1.459 -3.856
56 HH12 ARG 8 2HH1 ARG 8 -6.668 0.187 -3.562
57 HH21 ARG 8 1HH2 ARG 8 -6.522 -1.103 -6.812
58 HH22 ARG 8 2HH2 ARG 8 -7.259 -1.251 -5.238
59 H CYS 9 H CYS 9 1.238 3.372 -5.508
60 HA CYS 9 HA CYS 9 1.715 4.594 -2.949
61 HB2 CYS 9 2HB CYS 9 3.436 3.298 -5.034
62 HB3 CYS 9 1HB CYS 9 4.173 4.207 -3.722
63 H THR 10 H THR 10 1.281 5.807 -6.036
64 HA THR 10 HA THR 10 3.110 8.054 -5.644
65 HB THR 10 HB THR 10 1.989 8.698 -7.964
66 HG1 THR 10 1HG THR 10 0.505 6.910 -7.919
67 HG21 THR 10 3HG2 THR 10 4.121 6.643 -7.432
68 HG22 THR 10 1HG2 THR 10 4.322 8.346 -7.839
69 HG23 THR 10 2HG2 THR 10 3.752 7.208 -9.061
70 H GLU 11 H GLU 11 -0.318 7.317 -5.844
71 HA GLU 11 HA GLU 11 -1.157 10.043 -5.694
72 HB2 GLU 11 2HB GLU 11 -3.368 8.706 -4.933
73 HB3 GLU 11 1HB GLU 11 -2.888 8.908 -6.609
74 HG2 GLU 11 2HG GLU 11 -1.812 6.544 -5.202
75 HG3 GLU 11 1HG GLU 11 -3.544 6.559 -5.535
76 H GLY 12 H GLY 12 -1.012 7.361 -3.367
77 HA2 GLY 12 2HA GLY 12 -0.164 8.079 -1.126
78 HA3 GLY 12 1HA GLY 12 -1.358 9.367 -1.229
79 H PHE 13 H PHE 13 -1.705 8.113 0.940
80 HA PHE 13 HA PHE 13 -3.189 5.667 0.712
81 HD1 PHE 13 2HD PHE 13 -5.306 5.924 3.387
82 HD2 PHE 13 1HD PHE 13 -1.366 4.319 3.374
83 HE1 PHE 13 2HE PHE 13 -6.134 3.889 4.489
84 HE2 PHE 13 1HE PHE 13 -2.187 2.284 4.476
85 HZ PHE 13 HZ PHE 13 -4.573 2.065 5.036
86 HB2 PHE 13 2HB PHE 13 -1.695 6.496 2.682
87 HB3 PHE 13 1HB PHE 13 -3.140 7.358 3.187
88 H ASN 14 H ASN 14 -5.148 5.835 -0.248
89 HA ASN 14 HA ASN 14 -7.044 7.789 0.778
90 HB2 ASN 14 2HB ASN 14 -6.801 6.775 -1.705
91 HB3 ASN 14 1HB ASN 14 -7.912 5.591 -1.016
92 HD21 ASN 14 1HD2 ASN 14 -9.910 6.002 -1.303
93 HD22 ASN 14 2HD2 ASN 14 -10.645 7.554 -1.483
94 H VAL 15 H VAL 15 -7.759 7.268 2.744
95 HA VAL 15 HA VAL 15 -7.748 4.636 3.792
96 HB VAL 15 HB VAL 15 -9.436 6.893 4.866
97 HG11 VAL 15 1HG1 VAL 15 -8.017 5.199 6.754
98 HG12 VAL 15 2HG1 VAL 15 -9.094 4.280 5.704
99 HG13 VAL 15 3HG1 VAL 15 -9.732 5.608 6.669
100 HG21 VAL 15 3HG2 VAL 15 -7.008 7.536 4.368
101 HG22 VAL 15 1HG2 VAL 15 -6.573 6.415 5.659
102 HG23 VAL 15 2HG2 VAL 15 -7.599 7.809 6.004
103 H ASP 16 H ASP 16 -9.960 6.381 1.858
104 HA ASP 16 HA ASP 16 -12.133 4.536 2.420
105 HB2 ASP 16 2HB ASP 16 -12.244 7.185 1.962
106 HB3 ASP 16 1HB ASP 16 -12.474 6.591 0.319
107 H LYS 17 H LYS 17 -9.835 3.442 1.215
108 HA LYS 17 HA LYS 17 -11.122 2.509 -1.257
109 HB2 LYS 17 2HB LYS 17 -8.218 2.938 -0.642
110 HB3 LYS 17 1HB LYS 17 -8.654 1.603 -1.693
111 HG2 LYS 17 2HG LYS 17 -9.097 4.541 -2.140
112 HG3 LYS 17 1HG LYS 17 -8.137 3.419 -3.101
113 HD2 LYS 17 2HD LYS 17 -11.140 3.262 -2.808
114 HD3 LYS 17 1HD LYS 17 -10.311 4.068 -4.139
115 HE2 LYS 17 2HE LYS 17 -9.202 1.471 -3.882
116 HE3 LYS 17 1HE LYS 17 -10.962 1.306 -3.846
117 HZ1 LYS 17 3HZ LYS 17 -10.922 2.819 -5.876
118 HZ2 LYS 17 1HZ LYS 17 -10.396 1.219 -6.093
119 HZ3 LYS 17 2HZ LYS 17 -9.260 2.476 -5.975
120 H LYS 18 H LYS 18 -10.548 0.177 -1.712
121 HA LYS 18 HA LYS 18 -11.266 -1.297 0.681
122 HB2 LYS 18 2HB LYS 18 -10.994 -2.847 -1.780
123 HB3 LYS 18 1HB LYS 18 -12.382 -2.670 -0.712
124 HG2 LYS 18 2HG LYS 18 -12.311 -0.234 -1.928
125 HG3 LYS 18 1HG LYS 18 -11.747 -1.300 -3.217
126 HD2 LYS 18 2HD LYS 18 -13.897 -2.636 -2.072
127 HD3 LYS 18 1HD LYS 18 -14.393 -0.943 -2.132
128 HE2 LYS 18 2HE LYS 18 -15.014 -2.174 -4.174
129 HE3 LYS 18 1HE LYS 18 -13.906 -0.841 -4.496
130 HZ1 LYS 18 3HZ LYS 18 -13.240 -3.737 -4.366
131 HZ2 LYS 18 1HZ LYS 18 -12.076 -2.501 -4.487
132 HZ3 LYS 18 2HZ LYS 18 -13.199 -2.729 -5.735
133 H CYS 19 H CYS 19 -8.576 -0.723 -1.315
134 HA CYS 19 HA CYS 19 -6.916 -2.346 0.423
135 HB2 CYS 19 2HB CYS 19 -7.585 -3.547 -1.836
136 HB3 CYS 19 1HB CYS 19 -6.361 -2.482 -2.517
137 H GLN 20 H GLN 20 -4.845 -1.408 0.693
138 HA GLN 20 HA GLN 20 -4.560 1.198 -0.626
139 HB2 GLN 20 2HB GLN 20 -3.619 1.346 2.078
140 HB3 GLN 20 1HB GLN 20 -4.818 2.340 1.269
141 HG2 GLN 20 2HG GLN 20 -5.728 -0.324 2.141
142 HG3 GLN 20 1HG GLN 20 -5.322 0.817 3.423
143 HE21 GLN 20 1HE2 GLN 20 -7.304 1.295 4.167
144 HE22 GLN 20 2HE2 GLN 20 -8.558 2.020 3.225
145 H CYS 21 H CYS 21 -2.541 1.838 -1.146
146 HA CYS 21 HA CYS 21 -0.297 0.607 0.281
147 HB2 CYS 21 2HB CYS 21 -0.358 1.092 -2.710
148 HB3 CYS 21 1HB CYS 21 1.015 0.490 -1.789
149 H ASP 22 H ASP 22 0.676 2.205 1.288
150 HA ASP 22 HA ASP 22 1.597 4.514 -0.167
151 HB2 ASP 22 2HB ASP 22 -0.661 5.207 0.701
152 HB3 ASP 22 1HB ASP 22 -0.068 4.928 2.332
153 H GLU 23 H GLU 23 2.964 5.904 1.492
154 HA GLU 23 HA GLU 23 4.643 4.241 3.086
155 HB2 GLU 23 2HB GLU 23 5.239 6.588 4.117
156 HB3 GLU 23 1HB GLU 23 5.731 6.194 2.475
157 HG2 GLU 23 2HG GLU 23 4.448 7.782 1.581
158 HG3 GLU 23 1HG GLU 23 3.089 7.418 2.644
159 H LEU 24 H LEU 24 1.556 5.577 3.503
160 HA LEU 24 HA LEU 24 1.577 5.539 6.412
161 HG LEU 24 HG LEU 24 0.975 8.052 5.835
162 HB2 LEU 24 2HB LEU 24 -0.197 6.512 4.285
163 HB3 LEU 24 1HB LEU 24 -1.042 5.821 5.656
164 HD11 LEU 24 1HD1 LEU 24 -1.845 8.554 6.462
165 HD12 LEU 24 2HD1 LEU 24 -1.493 8.274 4.757
166 HD13 LEU 24 3HD1 LEU 24 -0.670 9.567 5.625
167 HD21 LEU 24 3HD2 LEU 24 -0.998 7.307 7.944
168 HD22 LEU 24 1HD2 LEU 24 0.527 8.180 8.094
169 HD23 LEU 24 2HD2 LEU 24 0.530 6.437 7.817
170 H CYS 25 H CYS 25 1.469 3.175 4.166
171 HA CYS 25 HA CYS 25 -0.859 1.725 4.871
172 HB2 CYS 25 2HB CYS 25 -0.259 0.364 3.193
173 HB3 CYS 25 1HB CYS 25 1.049 1.501 2.897
174 H SER 26 H SER 26 2.277 1.989 6.281
175 HA SER 26 HA SER 26 2.152 -0.387 7.848
176 HG SER 26 HG SER 26 4.374 1.541 6.304
177 HB2 SER 26 2HB SER 26 3.877 1.466 9.083
178 HB3 SER 26 1HB SER 26 4.321 0.155 7.986
179 H TYR 27 H TYR 27 1.397 3.009 8.383
180 HA TYR 27 HA TYR 27 0.810 2.886 11.126
181 HD1 TYR 27 2HD TYR 27 0.117 5.102 12.612
182 HD2 TYR 27 1HD TYR 27 -2.167 5.593 9.051
183 HE1 TYR 27 2HE TYR 27 -1.638 6.245 13.898
184 HE2 TYR 27 1HE TYR 27 -3.920 6.742 10.328
185 HH TYR 27 HH TYR 27 -3.526 7.462 13.780
186 HB2 TYR 27 2HB TYR 27 1.130 5.035 10.205
187 HB3 TYR 27 1HB TYR 27 -0.009 4.740 8.898
188 H TYR 28 H TYR 28 -1.219 2.367 8.274
189 HA TYR 28 HA TYR 28 -3.558 1.933 9.944
190 HD1 TYR 28 1HD TYR 28 -6.162 2.445 9.003
191 HD2 TYR 28 2HD TYR 28 -3.013 4.537 7.061
192 HE1 TYR 28 1HE TYR 28 -7.369 4.558 9.334
193 HE2 TYR 28 2HE TYR 28 -4.207 6.662 7.393
194 HH TYR 28 HH TYR 28 -7.450 6.730 8.860
195 HB2 TYR 28 2HB TYR 28 -3.043 2.191 7.026
196 HB3 TYR 28 1HB TYR 28 -4.470 1.294 7.532
197 H GLN 29 H GLN 29 -1.015 0.107 8.689
198 HA GLN 29 HA GLN 29 -0.568 -2.101 8.446
199 HB2 GLN 29 2HB GLN 29 -2.781 -2.708 10.391
200 HB3 GLN 29 1HB GLN 29 -1.234 -3.523 10.191
201 HG2 GLN 29 2HG GLN 29 -0.795 -0.787 10.897
202 HG3 GLN 29 1HG GLN 29 -1.918 -1.524 12.036
203 HE21 GLN 29 1HE2 GLN 29 1.191 -0.846 11.608
204 HE22 GLN 29 2HE2 GLN 29 1.925 -2.134 12.506
205 H SER 30 H SER 30 -2.134 -1.162 6.457
206 HA SER 30 HA SER 30 -3.707 -3.511 5.772
207 HG SER 30 HG SER 30 -4.644 -1.143 7.625
208 HB2 SER 30 2HB SER 30 -5.259 -1.329 4.856
209 HB3 SER 30 1HB SER 30 -5.690 -2.517 6.084
210 H CYS 31 H CYS 31 -1.601 -3.542 4.508
211 HA CYS 31 HA CYS 31 -1.927 -2.015 2.018
212 HB2 CYS 31 2HB CYS 31 0.576 -3.501 2.271
213 HB3 CYS 31 1HB CYS 31 0.313 -1.800 1.899
214 H CYS 32 H CYS 32 -1.847 -3.115 0.028
215 HA CYS 32 HA CYS 32 -3.063 -5.660 -0.005
216 HB2 CYS 32 2HB CYS 32 -1.596 -4.363 -2.300
217 HB3 CYS 32 1HB CYS 32 -2.912 -5.534 -2.387
218 H THR 33 H THR 33 -2.245 -7.640 -0.943
219 HA THR 33 HA THR 33 0.307 -8.369 0.058
220 HB THR 33 HB THR 33 -0.809 -10.172 -1.958
221 HG1 THR 33 1HG THR 33 -2.413 -9.812 0.358
222 HG21 THR 33 3HG2 THR 33 -0.145 -11.756 -0.482
223 HG22 THR 33 1HG2 THR 33 -0.772 -10.872 0.909
224 HG23 THR 33 2HG2 THR 33 0.784 -10.426 0.208
225 H ASP 34 H ASP 34 -0.844 -7.198 -2.980
226 HA ASP 34 HA ASP 34 1.600 -7.948 -4.384
227 HB2 ASP 34 2HB ASP 34 0.281 -6.570 -6.253
228 HB3 ASP 34 1HB ASP 34 -0.091 -8.253 -5.900
229 H TYR 35 H TYR 35 1.239 -5.858 -2.180
230 HA TYR 35 HA TYR 35 1.702 -3.311 -3.378
231 HD1 TYR 35 1HD TYR 35 2.030 -0.985 -2.027
232 HD2 TYR 35 2HD TYR 35 3.498 -3.758 0.838
233 HE1 TYR 35 1HE TYR 35 3.420 0.782 -1.050
234 HE2 TYR 35 2HE TYR 35 4.901 -2.004 1.827
235 HH TYR 35 HH TYR 35 5.303 1.109 0.326
236 HB2 TYR 35 2HB TYR 35 0.768 -3.207 -1.238
237 HB3 TYR 35 1HB TYR 35 1.846 -4.438 -0.599
238 H THR 36 H THR 36 3.699 -5.857 -2.031
239 HA THR 36 HA THR 36 6.137 -4.410 -2.220
240 HB THR 36 HB THR 36 6.796 -7.097 -2.183
241 HG1 THR 36 1HG THR 36 5.203 -7.842 -0.544
242 HG21 THR 36 3HG2 THR 36 6.054 -5.440 0.214
243 HG22 THR 36 1HG2 THR 36 7.526 -5.176 -0.722
244 HG23 THR 36 2HG2 THR 36 7.276 -6.709 0.116
245 H ALA 37 H ALA 37 4.378 -6.618 -4.278
246 HA ALA 37 HA ALA 37 6.463 -7.116 -6.133
247 HB1 ALA 37 3HB ALA 37 4.156 -7.575 -7.523
248 HB2 ALA 37 1HB ALA 37 3.629 -7.757 -5.853
249 HB3 ALA 37 2HB ALA 37 4.958 -8.738 -6.468
250 H GLU 38 H GLU 38 3.687 -4.889 -6.166
251 HA GLU 38 HA GLU 38 4.517 -3.877 -8.763
252 HB2 GLU 38 2HB GLU 38 2.124 -3.178 -7.066
253 HB3 GLU 38 1HB GLU 38 2.407 -2.625 -8.712
254 HG2 GLU 38 2HG GLU 38 2.293 -5.544 -8.058
255 HG3 GLU 38 1HG GLU 38 0.824 -4.604 -8.325
256 H CYS 39 H CYS 39 4.177 -2.660 -5.437
257 HA CYS 39 HA CYS 39 4.868 0.015 -6.295
258 HB2 CYS 39 2HB CYS 39 3.247 -0.167 -4.528
259 HB3 CYS 39 1HB CYS 39 4.335 -1.161 -3.566
260 H LYS 40 H LYS 40 6.305 -2.425 -4.135
261 HA LYS 40 HA LYS 40 8.453 -2.882 -3.561
262 HB2 LYS 40 2HB LYS 40 8.484 -2.958 -6.166
263 HB3 LYS 40 1HB LYS 40 9.386 -1.455 -6.034
264 HG2 LYS 40 2HG LYS 40 11.122 -2.912 -6.102
265 HG3 LYS 40 1HG LYS 40 10.840 -2.896 -4.361
266 HD2 LYS 40 2HD LYS 40 11.135 -5.177 -5.304
267 HD3 LYS 40 1HD LYS 40 9.592 -4.945 -4.482
268 HE2 LYS 40 2HE LYS 40 9.411 -6.195 -6.617
269 HE3 LYS 40 1HE LYS 40 8.443 -4.725 -6.573
270 HZ1 LYS 40 3HZ LYS 40 9.628 -3.789 -8.216
271 HZ2 LYS 40 1HZ LYS 40 10.077 -5.385 -8.585
272 HZ3 LYS 40 2HZ LYS 40 11.111 -4.406 -7.666
273 HA PRO 41 HA PRO 41 8.802 1.440 -1.777
274 HB2 PRO 41 2HB PRO 41 9.763 0.271 0.601
275 HB3 PRO 41 1HB PRO 41 8.130 0.877 0.308
276 HG2 PRO 41 2HG PRO 41 9.169 -1.909 0.176
277 HG3 PRO 41 1HG PRO 41 7.571 -1.324 0.669
278 HD2 PRO 41 2HD PRO 41 7.955 -2.499 -1.705
279 HD3 PRO 41 1HD PRO 41 6.827 -1.138 -1.519
280 H GLN 42 H GLN 42 11.029 -1.274 -1.152
281 HA GLN 42 HA GLN 42 13.230 -1.580 -1.572
282 HB2 GLN 42 2HB GLN 42 12.521 -0.182 -3.693
283 HB3 GLN 42 1HB GLN 42 13.538 1.045 -2.951
284 HG2 GLN 42 2HG GLN 42 15.225 -0.991 -2.790
285 HG3 GLN 42 1HG GLN 42 14.267 -1.558 -4.159
286 HE21 GLN 42 1HE2 GLN 42 17.070 -0.631 -3.981
287 HE22 GLN 42 2HE2 GLN 42 17.194 0.644 -5.145
288 H VAL 43 H VAL 43 12.074 1.077 0.122
289 HA VAL 43 HA VAL 43 14.454 2.365 0.890
290 HB VAL 43 HB VAL 43 11.976 2.094 2.597
291 HG11 VAL 43 1HG1 VAL 43 12.845 3.657 3.944
292 HG12 VAL 43 2HG1 VAL 43 13.457 4.613 2.594
293 HG13 VAL 43 3HG1 VAL 43 14.387 3.240 3.195
294 HG21 VAL 43 3HG2 VAL 43 10.831 3.277 1.106
295 HG22 VAL 43 1HG2 VAL 43 12.224 3.284 0.022
296 HG23 VAL 43 2HG2 VAL 43 12.026 4.569 1.214
297 H THR 44 H THR 44 16.091 1.619 2.047
298 HA THR 44 HA THR 44 15.584 -0.522 4.004
299 HB THR 44 HB THR 44 18.354 -0.323 3.140
300 HG1 THR 44 1HG THR 44 16.345 -0.397 1.205
301 HG21 THR 44 3HG2 THR 44 17.706 -2.808 2.550
302 HG22 THR 44 1HG2 THR 44 16.262 -2.421 3.486
303 HG23 THR 44 2HG2 THR 44 17.855 -2.289 4.228
304 H ARG 45 H ARG 45 16.393 -0.251 6.044
305 HA ARG 45 HA ARG 45 18.330 1.847 6.574
306 HE ARG 45 HE ARG 45 18.010 5.228 7.438
307 HB2 ARG 45 2HB ARG 45 16.229 3.067 6.714
308 HB3 ARG 45 1HB ARG 45 15.569 1.863 7.808
309 HG2 ARG 45 2HG ARG 45 16.709 2.652 9.603
310 HG3 ARG 45 1HG ARG 45 18.086 3.183 8.631
311 HD2 ARG 45 2HD ARG 45 15.400 4.541 8.564
312 HD3 ARG 45 1HD ARG 45 16.683 5.006 9.680
313 HH11 ARG 45 1HH1 ARG 45 14.671 6.088 8.044
314 HH12 ARG 45 2HH1 ARG 45 14.643 7.371 6.866
315 HH21 ARG 45 1HH2 ARG 45 17.998 6.910 5.879
316 HH22 ARG 45 2HH2 ARG 45 16.535 7.818 5.604
317 H GLY 46 H GLY 46 19.819 0.800 7.713
318 HA2 GLY 46 2HA GLY 46 18.919 -0.738 10.057
319 HA3 GLY 46 1HA GLY 46 20.037 -1.487 8.921
320 H ASP 47 H ASP 47 22.090 -1.351 9.443
321 HA ASP 47 HA ASP 47 23.233 1.080 10.475
322 HB2 ASP 47 2HB ASP 47 22.353 -0.099 12.526
323 HB3 ASP 47 1HB ASP 47 23.459 -1.421 12.163
Start of MODEL 9
1 HA ASP 1 HA ASP 1 -12.794 -6.604 -6.229
2 H1 ASP 1 1HT ASP 1 -14.344 -4.676 -7.165
3 H2 ASP 1 2HT ASP 1 -14.930 -6.092 -6.441
4 H3 ASP 1 3HT ASP 1 -14.874 -5.970 -8.130
5 HB2 ASP 1 2HB ASP 1 -13.851 -7.563 -8.742
6 HB3 ASP 1 1HB ASP 1 -12.100 -7.367 -8.839
7 H GLN 2 H GLN 2 -11.578 -4.882 -5.734
8 HA GLN 2 HA GLN 2 -9.712 -4.029 -7.779
9 HB2 GLN 2 2HB GLN 2 -11.916 -2.388 -7.194
10 HB3 GLN 2 1HB GLN 2 -10.554 -1.667 -6.348
11 HG2 GLN 2 2HG GLN 2 -9.785 -2.421 -9.007
12 HG3 GLN 2 1HG GLN 2 -11.226 -1.410 -9.047
13 HE21 GLN 2 1HE2 GLN 2 -11.089 0.558 -7.610
14 HE22 GLN 2 2HE2 GLN 2 -9.585 1.433 -7.648
15 H GLU 3 H GLU 3 -9.907 -5.500 -5.173
16 HA GLU 3 HA GLU 3 -8.453 -3.825 -3.312
17 HB2 GLU 3 2HB GLU 3 -8.483 -6.425 -2.284
18 HB3 GLU 3 1HB GLU 3 -9.527 -5.092 -1.829
19 HG2 GLU 3 2HG GLU 3 -10.234 -6.863 -4.135
20 HG3 GLU 3 1HG GLU 3 -10.570 -7.352 -2.478
21 H SER 4 H SER 4 -6.950 -4.039 -5.503
22 HA SER 4 HA SER 4 -4.675 -5.591 -4.503
23 HG SER 4 HG SER 4 -6.424 -7.083 -5.668
24 HB2 SER 4 2HB SER 4 -5.111 -5.366 -7.463
25 HB3 SER 4 1HB SER 4 -4.180 -6.564 -6.563
26 H CYS 5 H CYS 5 -2.620 -4.702 -5.077
27 HA CYS 5 HA CYS 5 -2.706 -1.813 -5.187
28 HB2 CYS 5 2HB CYS 5 -1.114 -3.406 -3.812
29 HB3 CYS 5 1HB CYS 5 -0.153 -3.377 -5.286
30 H LYS 6 H LYS 6 -2.107 -0.529 -6.852
31 HA LYS 6 HA LYS 6 -0.964 -1.767 -9.254
32 HB2 LYS 6 2HB LYS 6 -3.454 -0.119 -9.026
33 HB3 LYS 6 1HB LYS 6 -2.472 0.018 -10.478
34 HG2 LYS 6 2HG LYS 6 -2.688 -2.397 -10.837
35 HG3 LYS 6 1HG LYS 6 -3.705 -2.506 -9.398
36 HD2 LYS 6 2HD LYS 6 -4.578 -0.475 -11.314
37 HD3 LYS 6 1HD LYS 6 -4.608 -2.119 -11.955
38 HE2 LYS 6 2HE LYS 6 -6.060 -2.857 -10.234
39 HE3 LYS 6 1HE LYS 6 -5.825 -1.377 -9.306
40 HZ1 LYS 6 3HZ LYS 6 -7.131 -1.501 -11.972
41 HZ2 LYS 6 1HZ LYS 6 -7.011 -0.138 -10.964
42 HZ3 LYS 6 2HZ LYS 6 -7.965 -1.461 -10.502
43 H GLY 7 H GLY 7 -2.113 1.532 -8.746
44 HA2 GLY 7 2HA GLY 7 0.690 2.450 -8.894
45 HA3 GLY 7 1HA GLY 7 -0.694 3.372 -9.468
46 H ARG 8 H ARG 8 -0.594 1.570 -6.473
47 HA ARG 8 HA ARG 8 -1.347 3.979 -5.050
48 HE ARG 8 HE ARG 8 -4.762 -0.904 -4.689
49 HB2 ARG 8 2HB ARG 8 -1.006 1.449 -3.548
50 HB3 ARG 8 1HB ARG 8 -2.283 2.653 -3.448
51 HG2 ARG 8 2HG ARG 8 -2.771 1.612 -5.888
52 HG3 ARG 8 1HG ARG 8 -2.099 0.206 -5.054
53 HD2 ARG 8 2HD ARG 8 -3.712 0.539 -3.228
54 HD3 ARG 8 1HD ARG 8 -4.399 1.911 -4.097
55 HH11 ARG 8 1HH1 ARG 8 -5.075 2.402 -5.821
56 HH12 ARG 8 2HH1 ARG 8 -6.316 2.012 -6.977
57 HH21 ARG 8 1HH2 ARG 8 -6.388 -1.411 -6.183
58 HH22 ARG 8 2HH2 ARG 8 -7.087 -0.163 -7.170
59 H CYS 9 H CYS 9 1.145 4.241 -5.923
60 HA CYS 9 HA CYS 9 2.337 4.778 -3.330
61 HB2 CYS 9 2HB CYS 9 3.406 2.735 -5.027
62 HB3 CYS 9 1HB CYS 9 4.537 4.084 -5.015
63 H THR 10 H THR 10 0.979 5.978 -5.688
64 HA THR 10 HA THR 10 2.674 8.313 -5.921
65 HB THR 10 HB THR 10 1.634 8.019 -8.507
66 HG1 THR 10 1HG THR 10 2.880 5.903 -8.920
67 HG21 THR 10 3HG2 THR 10 4.031 8.652 -7.304
68 HG22 THR 10 1HG2 THR 10 3.735 8.587 -9.043
69 HG23 THR 10 2HG2 THR 10 4.418 7.187 -8.211
70 H GLU 11 H GLU 11 -0.410 6.709 -6.538
71 HA GLU 11 HA GLU 11 -1.895 9.067 -7.011
72 HB2 GLU 11 2HB GLU 11 -3.875 7.697 -6.747
73 HB3 GLU 11 1HB GLU 11 -2.676 6.825 -7.686
74 HG2 GLU 11 2HG GLU 11 -2.104 5.465 -5.771
75 HG3 GLU 11 1HG GLU 11 -3.200 6.394 -4.750
76 H GLY 12 H GLY 12 -0.804 7.512 -4.124
77 HA2 GLY 12 2HA GLY 12 -0.597 8.788 -2.107
78 HA3 GLY 12 1HA GLY 12 -2.045 9.673 -2.569
79 H PHE 13 H PHE 13 -1.682 8.526 -0.027
80 HA PHE 13 HA PHE 13 -2.974 6.008 0.163
81 HD1 PHE 13 2HD PHE 13 -5.133 6.539 2.700
82 HD2 PHE 13 1HD PHE 13 -1.107 5.240 3.128
83 HE1 PHE 13 2HE PHE 13 -5.890 4.685 4.118
84 HE2 PHE 13 1HE PHE 13 -1.860 3.374 4.547
85 HZ PHE 13 HZ PHE 13 -4.257 3.099 5.045
86 HB2 PHE 13 2HB PHE 13 -1.526 7.175 1.939
87 HB3 PHE 13 1HB PHE 13 -2.981 8.078 2.351
88 H ASN 14 H ASN 14 -4.974 5.573 -0.263
89 HA ASN 14 HA ASN 14 -7.045 7.642 0.035
90 HB2 ASN 14 2HB ASN 14 -6.706 6.158 -2.117
91 HB3 ASN 14 1HB ASN 14 -7.557 4.955 -1.156
92 HD21 ASN 14 1HD2 ASN 14 -7.967 8.449 -1.452
93 HD22 ASN 14 2HD2 ASN 14 -9.632 8.376 -1.928
94 H VAL 15 H VAL 15 -7.729 7.573 2.112
95 HA VAL 15 HA VAL 15 -8.050 5.060 3.514
96 HB VAL 15 HB VAL 15 -9.360 7.480 4.631
97 HG11 VAL 15 1HG1 VAL 15 -9.172 6.279 6.496
98 HG12 VAL 15 2HG1 VAL 15 -7.423 6.167 6.302
99 HG13 VAL 15 3HG1 VAL 15 -8.473 4.977 5.533
100 HG21 VAL 15 3HG2 VAL 15 -7.615 8.861 4.516
101 HG22 VAL 15 1HG2 VAL 15 -6.693 7.651 3.622
102 HG23 VAL 15 2HG2 VAL 15 -6.637 7.678 5.386
103 H ASP 16 H ASP 16 -9.356 4.705 1.349
104 HA ASP 16 HA ASP 16 -12.147 4.606 2.005
105 HB2 ASP 16 2HB ASP 16 -12.406 6.742 1.130
106 HB3 ASP 16 1HB ASP 16 -11.084 6.540 -0.013
107 H LYS 17 H LYS 17 -9.664 4.279 -0.480
108 HA LYS 17 HA LYS 17 -10.919 2.189 -1.912
109 HB2 LYS 17 2HB LYS 17 -8.214 3.406 -1.784
110 HB3 LYS 17 1HB LYS 17 -8.295 1.765 -2.414
111 HG2 LYS 17 2HG LYS 17 -9.623 4.238 -3.488
112 HG3 LYS 17 1HG LYS 17 -8.401 3.234 -4.266
113 HD2 LYS 17 2HD LYS 17 -10.095 2.210 -5.296
114 HD3 LYS 17 1HD LYS 17 -10.446 1.458 -3.740
115 HE2 LYS 17 2HE LYS 17 -12.341 2.699 -5.010
116 HE3 LYS 17 1HE LYS 17 -12.175 2.925 -3.271
117 HZ1 LYS 17 3HZ LYS 17 -12.532 4.993 -4.612
118 HZ2 LYS 17 1HZ LYS 17 -10.974 4.783 -5.250
119 HZ3 LYS 17 2HZ LYS 17 -11.189 5.028 -3.586
120 H LYS 18 H LYS 18 -11.126 0.113 -1.450
121 HA LYS 18 HA LYS 18 -10.960 -0.996 0.996
122 HB2 LYS 18 2HB LYS 18 -10.442 -3.207 -0.570
123 HB3 LYS 18 1HB LYS 18 -12.024 -2.550 -0.189
124 HG2 LYS 18 2HG LYS 18 -10.691 -1.291 -2.483
125 HG3 LYS 18 1HG LYS 18 -11.093 -2.996 -2.690
126 HD2 LYS 18 2HD LYS 18 -13.406 -2.276 -1.719
127 HD3 LYS 18 1HD LYS 18 -12.905 -0.664 -2.227
128 HE2 LYS 18 2HE LYS 18 -13.266 -1.120 -4.380
129 HE3 LYS 18 1HE LYS 18 -12.456 -2.684 -4.271
130 HZ1 LYS 18 3HZ LYS 18 -14.418 -3.714 -3.545
131 HZ2 LYS 18 1HZ LYS 18 -14.897 -2.721 -4.832
132 HZ3 LYS 18 2HZ LYS 18 -15.193 -2.242 -3.232
133 H CYS 19 H CYS 19 -8.449 -1.683 -1.465
134 HA CYS 19 HA CYS 19 -6.670 -2.427 0.742
135 HB2 CYS 19 2HB CYS 19 -5.801 -3.994 -0.603
136 HB3 CYS 19 1HB CYS 19 -7.143 -3.669 -1.690
137 H GLN 20 H GLN 20 -4.636 -1.453 0.982
138 HA GLN 20 HA GLN 20 -4.333 1.074 -0.475
139 HB2 GLN 20 2HB GLN 20 -4.905 0.663 2.346
140 HB3 GLN 20 1HB GLN 20 -3.458 1.630 2.085
141 HG2 GLN 20 2HG GLN 20 -6.270 2.188 1.243
142 HG3 GLN 20 1HG GLN 20 -5.172 3.192 2.197
143 HE21 GLN 20 1HE2 GLN 20 -6.186 2.259 -0.954
144 HE22 GLN 20 2HE2 GLN 20 -5.216 3.390 -1.835
145 H CYS 21 H CYS 21 -2.286 1.768 -0.848
146 HA CYS 21 HA CYS 21 -0.090 0.392 0.519
147 HB2 CYS 21 2HB CYS 21 0.289 1.150 -2.341
148 HB3 CYS 21 1HB CYS 21 1.073 -0.104 -1.403
149 H ASP 22 H ASP 22 0.984 1.870 1.572
150 HA ASP 22 HA ASP 22 2.015 4.177 0.184
151 HB2 ASP 22 2HB ASP 22 -0.214 4.850 1.292
152 HB3 ASP 22 1HB ASP 22 0.624 4.629 2.824
153 H GLU 23 H GLU 23 3.430 5.418 2.070
154 HA GLU 23 HA GLU 23 5.052 3.532 3.471
155 HB2 GLU 23 2HB GLU 23 6.288 5.427 3.435
156 HB3 GLU 23 1HB GLU 23 4.876 6.435 3.173
157 HG2 GLU 23 2HG GLU 23 5.768 7.196 5.178
158 HG3 GLU 23 1HG GLU 23 4.422 6.168 5.663
159 H LEU 24 H LEU 24 2.170 5.362 4.047
160 HA LEU 24 HA LEU 24 1.914 4.726 6.833
161 HG LEU 24 HG LEU 24 1.416 6.736 7.481
162 HB2 LEU 24 2HB LEU 24 0.326 6.154 4.785
163 HB3 LEU 24 1HB LEU 24 -0.554 5.504 6.159
164 HD11 LEU 24 1HD1 LEU 24 2.426 8.438 6.436
165 HD12 LEU 24 2HD1 LEU 24 1.003 8.833 5.472
166 HD13 LEU 24 3HD1 LEU 24 2.061 7.509 4.982
167 HD21 LEU 24 3HD2 LEU 24 -0.140 8.693 7.655
168 HD22 LEU 24 1HD2 LEU 24 -0.881 7.117 7.953
169 HD23 LEU 24 2HD2 LEU 24 -1.128 7.930 6.407
170 H CYS 25 H CYS 25 1.951 2.600 4.517
171 HA CYS 25 HA CYS 25 -0.528 1.245 4.732
172 HB2 CYS 25 2HB CYS 25 0.390 -0.022 3.131
173 HB3 CYS 25 1HB CYS 25 1.893 0.873 3.322
174 H SER 26 H SER 26 2.483 1.110 6.561
175 HA SER 26 HA SER 26 1.698 -1.017 8.285
176 HG SER 26 HG SER 26 4.719 1.513 7.999
177 HB2 SER 26 2HB SER 26 3.575 0.699 9.567
178 HB3 SER 26 1HB SER 26 3.883 -0.847 8.774
179 H TYR 27 H TYR 27 1.120 2.374 8.179
180 HA TYR 27 HA TYR 27 0.537 2.867 10.897
181 HD1 TYR 27 2HD TYR 27 0.756 5.585 11.676
182 HD2 TYR 27 1HD TYR 27 -2.417 5.276 8.859
183 HE1 TYR 27 2HE TYR 27 -0.530 7.257 12.942
184 HE2 TYR 27 1HE TYR 27 -3.701 6.953 10.106
185 HH TYR 27 HH TYR 27 -3.674 8.423 11.763
186 HB2 TYR 27 2HB TYR 27 1.081 4.652 9.340
187 HB3 TYR 27 1HB TYR 27 -0.340 4.285 8.376
188 H TYR 28 H TYR 28 -1.504 1.921 8.146
189 HA TYR 28 HA TYR 28 -3.766 1.625 9.999
190 HD1 TYR 28 2HD TYR 28 -6.340 2.586 9.372
191 HD2 TYR 28 1HD TYR 28 -3.236 4.173 6.933
192 HE1 TYR 28 2HE TYR 28 -7.231 4.850 9.725
193 HE2 TYR 28 1HE TYR 28 -4.109 6.445 7.281
194 HH TYR 28 HH TYR 28 -7.154 7.007 8.966
195 HB2 TYR 28 2HB TYR 28 -3.585 1.850 7.006
196 HB3 TYR 28 1HB TYR 28 -5.017 1.164 7.764
197 H GLN 29 H GLN 29 -1.302 -0.141 8.652
198 HA GLN 29 HA GLN 29 -0.859 -2.332 8.257
199 HB2 GLN 29 2HB GLN 29 -2.621 -2.299 10.649
200 HB3 GLN 29 1HB GLN 29 -2.319 -3.861 9.897
201 HG2 GLN 29 2HG GLN 29 -0.229 -3.956 10.668
202 HG3 GLN 29 1HG GLN 29 0.097 -2.274 10.247
203 HE21 GLN 29 1HE2 GLN 29 -0.089 -0.707 11.784
204 HE22 GLN 29 2HE2 GLN 29 -0.428 -1.039 13.452
205 H SER 30 H SER 30 -2.417 -1.425 6.320
206 HA SER 30 HA SER 30 -4.199 -3.666 5.740
207 HG SER 30 HG SER 30 -5.153 -1.726 7.574
208 HB2 SER 30 2HB SER 30 -4.978 -0.757 5.427
209 HB3 SER 30 1HB SER 30 -5.932 -2.135 4.871
210 H CYS 31 H CYS 31 -1.809 -3.687 4.688
211 HA CYS 31 HA CYS 31 -1.864 -2.252 2.128
212 HB2 CYS 31 2HB CYS 31 0.467 -3.943 2.624
213 HB3 CYS 31 1HB CYS 31 0.384 -2.227 2.240
214 H CYS 32 H CYS 32 -2.061 -3.261 0.198
215 HA CYS 32 HA CYS 32 -3.112 -5.909 0.150
216 HB2 CYS 32 2HB CYS 32 -2.246 -4.948 -2.445
217 HB3 CYS 32 1HB CYS 32 -3.879 -5.257 -1.859
218 H THR 33 H THR 33 -2.192 -7.746 -0.953
219 HA THR 33 HA THR 33 0.383 -8.341 -0.064
220 HB THR 33 HB THR 33 -0.228 -10.114 -2.168
221 HG1 THR 33 1HG THR 33 -2.322 -9.900 -2.375
222 HG21 THR 33 3HG2 THR 33 0.401 -11.370 -0.431
223 HG22 THR 33 1HG2 THR 33 -1.249 -11.210 0.175
224 HG23 THR 33 2HG2 THR 33 0.004 -10.094 0.720
225 H ASP 34 H ASP 34 -0.705 -6.966 -3.054
226 HA ASP 34 HA ASP 34 1.797 -7.555 -4.425
227 HB2 ASP 34 2HB ASP 34 0.158 -5.865 -6.003
228 HB3 ASP 34 1HB ASP 34 0.468 -7.585 -6.224
229 H TYR 35 H TYR 35 1.264 -5.504 -2.147
230 HA TYR 35 HA TYR 35 1.675 -2.922 -3.205
231 HD1 TYR 35 1HD TYR 35 2.510 -0.866 -2.167
232 HD2 TYR 35 2HD TYR 35 3.223 -3.267 1.266
233 HE1 TYR 35 1HE TYR 35 3.878 0.927 -1.212
234 HE2 TYR 35 2HE TYR 35 4.615 -1.482 2.232
235 HH TYR 35 HH TYR 35 4.535 1.454 1.575
236 HB2 TYR 35 2HB TYR 35 0.867 -2.982 -1.003
237 HB3 TYR 35 1HB TYR 35 2.048 -4.185 -0.506
238 H THR 36 H THR 36 3.909 -5.322 -1.877
239 HA THR 36 HA THR 36 6.221 -3.724 -2.219
240 HB THR 36 HB THR 36 7.237 -6.205 -2.079
241 HG1 THR 36 1HG THR 36 5.755 -7.494 -0.878
242 HG21 THR 36 3HG2 THR 36 7.337 -4.254 -0.439
243 HG22 THR 36 1HG2 THR 36 7.405 -5.871 0.259
244 HG23 THR 36 2HG2 THR 36 5.900 -4.952 0.309
245 H ALA 37 H ALA 37 4.530 -6.023 -4.224
246 HA ALA 37 HA ALA 37 6.574 -6.395 -6.162
247 HB1 ALA 37 3HB ALA 37 4.285 -6.940 -7.515
248 HB2 ALA 37 1HB ALA 37 3.755 -7.141 -5.841
249 HB3 ALA 37 2HB ALA 37 5.119 -8.078 -6.456
250 H GLU 38 H GLU 38 3.642 -4.370 -6.100
251 HA GLU 38 HA GLU 38 4.212 -3.258 -8.680
252 HB2 GLU 38 2HB GLU 38 2.118 -2.657 -6.596
253 HB3 GLU 38 1HB GLU 38 2.240 -1.755 -8.101
254 HG2 GLU 38 2HG GLU 38 1.961 -4.740 -8.036
255 HG3 GLU 38 1HG GLU 38 0.572 -3.655 -8.023
256 H CYS 39 H CYS 39 4.291 -1.968 -5.353
257 HA CYS 39 HA CYS 39 5.203 0.590 -6.366
258 HB2 CYS 39 2HB CYS 39 3.730 0.919 -4.603
259 HB3 CYS 39 1HB CYS 39 4.370 -0.435 -3.678
260 H LYS 40 H LYS 40 6.433 -1.863 -4.098
261 HA LYS 40 HA LYS 40 8.520 -2.413 -3.415
262 HB2 LYS 40 2HB LYS 40 8.687 -2.271 -6.132
263 HB3 LYS 40 1HB LYS 40 9.930 -1.125 -5.662
264 HG2 LYS 40 2HG LYS 40 11.327 -2.733 -5.015
265 HG3 LYS 40 1HG LYS 40 10.059 -3.610 -4.155
266 HD2 LYS 40 2HD LYS 40 9.282 -4.149 -6.638
267 HD3 LYS 40 1HD LYS 40 10.998 -3.877 -6.961
268 HE2 LYS 40 2HE LYS 40 11.491 -5.505 -5.113
269 HE3 LYS 40 1HE LYS 40 9.770 -5.883 -5.079
270 HZ1 LYS 40 3HZ LYS 40 11.777 -6.519 -7.116
271 HZ2 LYS 40 1HZ LYS 40 10.183 -6.237 -7.631
272 HZ3 LYS 40 2HZ LYS 40 10.503 -7.470 -6.513
273 HA PRO 41 HA PRO 41 9.162 1.883 -1.784
274 HB2 PRO 41 2HB PRO 41 9.268 1.087 0.821
275 HB3 PRO 41 1HB PRO 41 7.764 1.497 -0.009
276 HG2 PRO 41 2HG PRO 41 8.955 -1.194 0.533
277 HG3 PRO 41 1HG PRO 41 7.267 -0.666 0.669
278 HD2 PRO 41 2HD PRO 41 8.166 -2.079 -1.443
279 HD3 PRO 41 1HD PRO 41 6.893 -0.851 -1.596
280 H GLN 42 H GLN 42 10.787 -1.119 -1.588
281 HA GLN 42 HA GLN 42 12.969 -1.691 -1.619
282 HB2 GLN 42 2HB GLN 42 13.019 1.017 -2.443
283 HB3 GLN 42 1HB GLN 42 14.347 0.787 -1.312
284 HG2 GLN 42 2HG GLN 42 15.156 0.374 -3.514
285 HG3 GLN 42 1HG GLN 42 15.083 -1.161 -2.656
286 HE21 GLN 42 1HE2 GLN 42 12.940 0.861 -4.630
287 HE22 GLN 42 2HE2 GLN 42 12.327 -0.433 -5.593
288 H VAL 43 H VAL 43 14.458 -2.301 -0.181
289 HA VAL 43 HA VAL 43 14.615 -0.914 2.396
290 HB VAL 43 HB VAL 43 15.005 -3.662 2.939
291 HG11 VAL 43 1HG1 VAL 43 13.407 -1.431 3.871
292 HG12 VAL 43 2HG1 VAL 43 14.140 -2.753 4.777
293 HG13 VAL 43 3HG1 VAL 43 12.556 -2.967 4.035
294 HG21 VAL 43 3HG2 VAL 43 13.685 -4.144 0.906
295 HG22 VAL 43 1HG2 VAL 43 12.351 -3.208 1.573
296 HG23 VAL 43 2HG2 VAL 43 12.880 -4.683 2.377
297 H THR 44 H THR 44 16.505 -2.430 3.626
298 HA THR 44 HA THR 44 18.746 -2.765 3.746
299 HB THR 44 HB THR 44 18.852 -3.421 0.818
300 HG1 THR 44 1HG THR 44 17.609 -4.955 2.886
301 HG21 THR 44 3HG2 THR 44 20.917 -3.623 2.037
302 HG22 THR 44 1HG2 THR 44 20.319 -5.244 1.686
303 HG23 THR 44 2HG2 THR 44 20.128 -4.565 3.303
304 H ARG 45 H ARG 45 18.501 -0.290 3.856
305 HA ARG 45 HA ARG 45 20.256 0.904 1.812
306 HE ARG 45 HE ARG 45 20.560 4.812 2.414
307 HB2 ARG 45 2HB ARG 45 17.695 1.527 1.823
308 HB3 ARG 45 1HB ARG 45 18.159 2.549 3.177
309 HG2 ARG 45 2HG ARG 45 20.055 3.097 1.229
310 HG3 ARG 45 1HG ARG 45 18.536 2.947 0.342
311 HD2 ARG 45 2HD ARG 45 18.265 5.108 0.917
312 HD3 ARG 45 1HD ARG 45 17.736 4.431 2.457
313 HH11 ARG 45 1HH1 ARG 45 17.526 6.549 2.721
314 HH12 ARG 45 2HH1 ARG 45 18.206 7.822 3.706
315 HH21 ARG 45 1HH2 ARG 45 21.459 6.481 3.721
316 HH22 ARG 45 2HH2 ARG 45 20.439 7.789 4.255
317 H GLY 46 H GLY 46 21.763 2.410 2.569
318 HA2 GLY 46 2HA GLY 46 22.078 3.946 4.623
319 HA3 GLY 46 1HA GLY 46 22.082 2.420 5.490
320 H ASP 47 H ASP 47 24.169 4.338 5.431
321 HA ASP 47 HA ASP 47 26.292 3.380 3.756
322 HB2 ASP 47 2HB ASP 47 26.342 5.681 4.420
323 HB3 ASP 47 1HB ASP 47 26.190 5.260 6.119
Start of MODEL 10
1 HA ASP 1 HA ASP 1 -11.092 -9.160 -0.398
2 H1 ASP 1 1HT ASP 1 -9.911 -11.436 0.155
3 H2 ASP 1 2HT ASP 1 -9.744 -11.468 -1.533
4 H3 ASP 1 3HT ASP 1 -11.284 -11.329 -0.835
5 HB2 ASP 1 2HB ASP 1 -8.295 -9.912 0.237
6 HB3 ASP 1 1HB ASP 1 -8.550 -8.247 -0.285
7 H GLN 2 H GLN 2 -11.760 -8.289 -2.233
8 HA GLN 2 HA GLN 2 -10.216 -8.551 -4.660
9 HB2 GLN 2 2HB GLN 2 -12.434 -6.668 -4.790
10 HB3 GLN 2 1HB GLN 2 -12.143 -8.123 -5.729
11 HG2 GLN 2 2HG GLN 2 -13.204 -8.249 -2.930
12 HG3 GLN 2 1HG GLN 2 -14.263 -8.006 -4.318
13 HE21 GLN 2 1HE2 GLN 2 -14.221 -9.650 -5.998
14 HE22 GLN 2 2HE2 GLN 2 -13.886 -11.295 -5.562
15 H GLU 3 H GLU 3 -9.780 -6.586 -5.984
16 HA GLU 3 HA GLU 3 -8.847 -4.538 -6.325
17 HB2 GLU 3 2HB GLU 3 -10.158 -4.095 -3.768
18 HB3 GLU 3 1HB GLU 3 -8.638 -3.221 -3.876
19 HG2 GLU 3 2HG GLU 3 -9.866 -2.770 -6.318
20 HG3 GLU 3 1HG GLU 3 -11.175 -2.692 -5.142
21 H SER 4 H SER 4 -6.740 -4.190 -6.539
22 HA SER 4 HA SER 4 -4.912 -5.044 -4.426
23 HG SER 4 HG SER 4 -6.403 -6.661 -6.412
24 HB2 SER 4 2HB SER 4 -3.813 -5.736 -7.006
25 HB3 SER 4 1HB SER 4 -4.062 -6.767 -5.595
26 H CYS 5 H CYS 5 -2.589 -4.337 -5.091
27 HA CYS 5 HA CYS 5 -2.670 -1.538 -5.473
28 HB2 CYS 5 2HB CYS 5 -0.380 -3.500 -5.465
29 HB3 CYS 5 1HB CYS 5 -0.161 -1.759 -5.574
30 H LYS 6 H LYS 6 -1.802 -0.289 -7.160
31 HA LYS 6 HA LYS 6 -0.997 -1.575 -9.624
32 HB2 LYS 6 2HB LYS 6 -2.623 -0.469 -11.026
33 HB3 LYS 6 1HB LYS 6 -3.472 -1.407 -9.807
34 HG2 LYS 6 2HG LYS 6 -4.364 0.414 -8.825
35 HG3 LYS 6 1HG LYS 6 -2.951 1.422 -9.150
36 HD2 LYS 6 2HD LYS 6 -4.845 0.523 -11.311
37 HD3 LYS 6 1HD LYS 6 -5.078 2.017 -10.401
38 HE2 LYS 6 2HE LYS 6 -3.581 3.087 -11.659
39 HE3 LYS 6 1HE LYS 6 -2.370 1.842 -11.357
40 HZ1 LYS 6 3HZ LYS 6 -2.642 1.774 -13.636
41 HZ2 LYS 6 1HZ LYS 6 -4.316 2.046 -13.560
42 HZ3 LYS 6 2HZ LYS 6 -3.679 0.531 -13.127
43 H GLY 7 H GLY 7 0.304 -0.014 -7.641
44 HA2 GLY 7 2HA GLY 7 1.843 1.707 -7.598
45 HA3 GLY 7 1HA GLY 7 1.328 2.158 -9.218
46 H ARG 8 H ARG 8 -0.822 1.820 -6.457
47 HA ARG 8 HA ARG 8 -1.863 4.461 -6.904
48 HE ARG 8 HE ARG 8 -5.169 1.864 -6.471
49 HB2 ARG 8 2HB ARG 8 -2.888 3.563 -4.457
50 HB3 ARG 8 1HB ARG 8 -3.682 3.520 -6.021
51 HG2 ARG 8 2HG ARG 8 -2.782 1.272 -6.407
52 HG3 ARG 8 1HG ARG 8 -2.015 1.318 -4.818
53 HD2 ARG 8 2HD ARG 8 -4.026 0.120 -4.518
54 HD3 ARG 8 1HD ARG 8 -4.329 1.729 -3.863
55 HH11 ARG 8 1HH1 ARG 8 -6.002 -0.089 -3.674
56 HH12 ARG 8 2HH1 ARG 8 -7.631 -0.385 -4.210
57 HH21 ARG 8 1HH2 ARG 8 -7.295 1.452 -7.176
58 HH22 ARG 8 2HH2 ARG 8 -8.362 0.476 -6.202
59 H CYS 9 H CYS 9 0.791 3.334 -5.321
60 HA CYS 9 HA CYS 9 0.854 4.954 -3.001
61 HB2 CYS 9 2HB CYS 9 3.197 3.887 -4.586
62 HB3 CYS 9 1HB CYS 9 3.205 4.372 -2.894
63 H THR 10 H THR 10 0.698 5.917 -6.116
64 HA THR 10 HA THR 10 2.546 8.148 -5.970
65 HB THR 10 HB THR 10 1.172 8.772 -8.132
66 HG1 THR 10 1HG THR 10 0.771 6.002 -8.330
67 HG21 THR 10 3HG2 THR 10 2.620 7.273 -9.463
68 HG22 THR 10 1HG2 THR 10 3.037 6.401 -7.987
69 HG23 THR 10 2HG2 THR 10 3.503 8.091 -8.176
70 H GLU 11 H GLU 11 -0.738 7.410 -5.257
71 HA GLU 11 HA GLU 11 -1.507 10.234 -5.108
72 HB2 GLU 11 2HB GLU 11 -3.283 7.842 -4.629
73 HB3 GLU 11 1HB GLU 11 -3.770 9.484 -5.025
74 HG2 GLU 11 2HG GLU 11 -2.387 9.008 -7.210
75 HG3 GLU 11 1HG GLU 11 -2.729 7.332 -6.784
76 H GLY 12 H GLY 12 -0.171 7.900 -3.210
77 HA2 GLY 12 2HA GLY 12 0.351 8.069 -0.932
78 HA3 GLY 12 1HA GLY 12 -0.911 9.282 -0.756
79 H PHE 13 H PHE 13 -1.342 7.897 1.200
80 HA PHE 13 HA PHE 13 -2.481 5.326 0.832
81 HD1 PHE 13 2HD PHE 13 -5.150 5.762 3.289
82 HD2 PHE 13 1HD PHE 13 -1.266 4.060 3.610
83 HE1 PHE 13 2HE PHE 13 -6.130 3.762 4.315
84 HE2 PHE 13 1HE PHE 13 -2.230 2.044 4.634
85 HZ PHE 13 HZ PHE 13 -4.669 1.889 4.990
86 HB2 PHE 13 2HB PHE 13 -1.505 6.302 2.986
87 HB3 PHE 13 1HB PHE 13 -3.045 7.139 3.171
88 H ASN 14 H ASN 14 -4.224 5.088 -0.397
89 HA ASN 14 HA ASN 14 -6.333 7.032 -0.465
90 HB2 ASN 14 2HB ASN 14 -7.524 5.085 -1.745
91 HB3 ASN 14 1HB ASN 14 -6.196 5.948 -2.509
92 HD21 ASN 14 1HD2 ASN 14 -6.926 3.051 -0.607
93 HD22 ASN 14 2HD2 ASN 14 -5.717 2.058 -1.348
94 H VAL 15 H VAL 15 -6.977 7.171 1.708
95 HA VAL 15 HA VAL 15 -8.032 4.866 3.070
96 HB VAL 15 HB VAL 15 -9.005 7.325 4.191
97 HG11 VAL 15 1HG1 VAL 15 -6.937 6.207 5.763
98 HG12 VAL 15 2HG1 VAL 15 -7.812 4.880 5.000
99 HG13 VAL 15 3HG1 VAL 15 -8.683 6.058 5.980
100 HG21 VAL 15 3HG2 VAL 15 -6.111 7.299 3.419
101 HG22 VAL 15 1HG2 VAL 15 -6.668 8.167 4.850
102 HG23 VAL 15 2HG2 VAL 15 -7.290 8.600 3.257
103 H ASP 16 H ASP 16 -9.254 4.642 0.888
104 HA ASP 16 HA ASP 16 -12.026 5.300 1.330
105 HB2 ASP 16 2HB ASP 16 -11.714 7.264 0.132
106 HB3 ASP 16 1HB ASP 16 -10.381 6.601 -0.803
107 H LYS 17 H LYS 17 -9.538 3.967 -0.763
108 HA LYS 17 HA LYS 17 -11.301 2.167 -2.117
109 HB2 LYS 17 2HB LYS 17 -8.280 2.103 -1.983
110 HB3 LYS 17 1HB LYS 17 -9.297 1.298 -3.171
111 HG2 LYS 17 2HG LYS 17 -9.741 4.180 -3.021
112 HG3 LYS 17 1HG LYS 17 -8.098 3.734 -3.489
113 HD2 LYS 17 2HD LYS 17 -9.482 3.967 -5.469
114 HD3 LYS 17 1HD LYS 17 -9.024 2.278 -5.252
115 HE2 LYS 17 2HE LYS 17 -11.166 1.713 -5.318
116 HE3 LYS 17 1HE LYS 17 -11.439 2.646 -3.849
117 HZ1 LYS 17 3HZ LYS 17 -12.930 3.433 -5.492
118 HZ2 LYS 17 1HZ LYS 17 -11.704 3.572 -6.655
119 HZ3 LYS 17 2HZ LYS 17 -11.734 4.623 -5.328
120 H LYS 18 H LYS 18 -10.508 -0.250 -2.185
121 HA LYS 18 HA LYS 18 -11.051 -1.172 0.514
122 HB2 LYS 18 2HB LYS 18 -11.144 -2.435 -2.203
123 HB3 LYS 18 1HB LYS 18 -11.118 -3.446 -0.764
124 HG2 LYS 18 2HG LYS 18 -13.368 -3.247 -1.115
125 HG3 LYS 18 1HG LYS 18 -13.083 -1.907 -0.002
126 HD2 LYS 18 2HD LYS 18 -14.500 -1.194 -1.843
127 HD3 LYS 18 1HD LYS 18 -12.943 -0.365 -1.909
128 HE2 LYS 18 2HE LYS 18 -13.625 -1.077 -4.124
129 HE3 LYS 18 1HE LYS 18 -12.181 -1.949 -3.613
130 HZ1 LYS 18 3HZ LYS 18 -14.090 -3.248 -4.702
131 HZ2 LYS 18 1HZ LYS 18 -14.859 -3.109 -3.193
132 HZ3 LYS 18 2HZ LYS 18 -13.364 -3.900 -3.310
133 H CYS 19 H CYS 19 -8.553 -1.450 -1.943
134 HA CYS 19 HA CYS 19 -6.816 -2.658 0.106
135 HB2 CYS 19 2HB CYS 19 -7.261 -3.673 -2.350
136 HB3 CYS 19 1HB CYS 19 -5.920 -2.593 -2.722
137 H GLN 20 H GLN 20 -4.912 -1.660 0.631
138 HA GLN 20 HA GLN 20 -4.517 1.013 -0.534
139 HB2 GLN 20 2HB GLN 20 -4.157 0.233 2.366
140 HB3 GLN 20 1HB GLN 20 -3.890 1.828 1.686
141 HG2 GLN 20 2HG GLN 20 -5.946 2.074 2.654
142 HG3 GLN 20 1HG GLN 20 -6.386 1.672 0.991
143 HE21 GLN 20 1HE2 GLN 20 -8.444 1.046 1.913
144 HE22 GLN 20 2HE2 GLN 20 -8.617 -0.525 2.611
145 H CYS 21 H CYS 21 -2.470 1.531 -1.130
146 HA CYS 21 HA CYS 21 -0.289 0.216 0.304
147 HB2 CYS 21 2HB CYS 21 0.639 0.657 -2.334
148 HB3 CYS 21 1HB CYS 21 0.453 -0.870 -1.482
149 H ASP 22 H ASP 22 0.758 1.737 1.273
150 HA ASP 22 HA ASP 22 1.808 3.998 -0.175
151 HB2 ASP 22 2HB ASP 22 -0.379 4.840 0.678
152 HB3 ASP 22 1HB ASP 22 0.125 4.426 2.314
153 H GLU 23 H GLU 23 3.195 5.312 1.581
154 HA GLU 23 HA GLU 23 4.866 3.550 3.055
155 HB2 GLU 23 2HB GLU 23 5.771 5.654 2.363
156 HB3 GLU 23 1HB GLU 23 4.457 6.540 3.122
157 HG2 GLU 23 2HG GLU 23 5.839 6.849 4.825
158 HG3 GLU 23 1HG GLU 23 5.556 5.156 5.222
159 H LEU 24 H LEU 24 1.969 5.405 3.761
160 HA LEU 24 HA LEU 24 2.005 4.973 6.598
161 HG LEU 24 HG LEU 24 1.432 7.652 5.109
162 HB2 LEU 24 2HB LEU 24 -0.127 5.897 4.681
163 HB3 LEU 24 1HB LEU 24 -0.438 5.681 6.392
164 HD11 LEU 24 1HD1 LEU 24 -1.251 7.750 6.297
165 HD12 LEU 24 2HD1 LEU 24 -0.506 8.791 5.085
166 HD13 LEU 24 3HD1 LEU 24 -0.155 9.038 6.795
167 HD21 LEU 24 3HD2 LEU 24 1.520 8.337 7.694
168 HD22 LEU 24 1HD2 LEU 24 2.701 7.258 6.948
169 HD23 LEU 24 2HD2 LEU 24 1.353 6.592 7.865
170 H CYS 25 H CYS 25 1.956 2.659 4.521
171 HA CYS 25 HA CYS 25 -0.453 1.251 4.855
172 HB2 CYS 25 2HB CYS 25 0.543 -0.050 3.341
173 HB3 CYS 25 1HB CYS 25 2.041 0.840 3.560
174 H SER 26 H SER 26 2.528 1.333 6.728
175 HA SER 26 HA SER 26 1.753 -0.698 8.574
176 HG SER 26 HG SER 26 5.073 0.484 7.593
177 HB2 SER 26 2HB SER 26 3.697 1.097 9.670
178 HB3 SER 26 1HB SER 26 3.936 -0.542 9.056
179 H TYR 27 H TYR 27 1.226 2.714 8.301
180 HA TYR 27 HA TYR 27 0.707 3.322 11.007
181 HD1 TYR 27 2HD TYR 27 0.524 5.896 11.873
182 HD2 TYR 27 1HD TYR 27 -2.268 5.670 8.670
183 HE1 TYR 27 2HE TYR 27 -0.956 7.459 13.058
184 HE2 TYR 27 1HE TYR 27 -3.754 7.234 9.847
185 HH TYR 27 HH TYR 27 -2.989 9.226 12.014
186 HB2 TYR 27 2HB TYR 27 1.144 5.116 9.469
187 HB3 TYR 27 1HB TYR 27 -0.192 4.632 8.433
188 H TYR 28 H TYR 28 -1.377 2.248 8.363
189 HA TYR 28 HA TYR 28 -3.657 2.104 10.202
190 HD1 TYR 28 1HD TYR 28 -6.009 3.206 9.537
191 HD2 TYR 28 2HD TYR 28 -3.071 4.159 6.605
192 HE1 TYR 28 1HE TYR 28 -6.774 5.541 9.532
193 HE2 TYR 28 2HE TYR 28 -3.820 6.502 6.604
194 HH TYR 28 HH TYR 28 -5.022 8.055 7.955
195 HB2 TYR 28 2HB TYR 28 -3.406 1.928 7.200
196 HB3 TYR 28 1HB TYR 28 -4.879 1.442 8.029
197 H GLN 29 H GLN 29 -1.186 0.181 9.006
198 HA GLN 29 HA GLN 29 -0.775 -2.036 8.780
199 HB2 GLN 29 2HB GLN 29 -2.050 -1.683 11.252
200 HB3 GLN 29 1HB GLN 29 -2.838 -3.079 10.527
201 HG2 GLN 29 2HG GLN 29 0.146 -2.864 10.625
202 HG3 GLN 29 1HG GLN 29 -0.777 -3.455 12.007
203 HE21 GLN 29 1HE2 GLN 29 -1.185 -5.535 12.087
204 HE22 GLN 29 2HE2 GLN 29 -1.080 -6.646 10.760
205 H SER 30 H SER 30 -2.207 -1.136 6.759
206 HA SER 30 HA SER 30 -3.860 -3.402 6.042
207 HG SER 30 HG SER 30 -4.968 -2.266 7.892
208 HB2 SER 30 2HB SER 30 -4.929 -0.571 5.868
209 HB3 SER 30 1HB SER 30 -5.753 -2.028 5.310
210 H CYS 31 H CYS 31 -1.869 -3.628 4.804
211 HA CYS 31 HA CYS 31 -2.013 -2.054 2.319
212 HB2 CYS 31 2HB CYS 31 0.501 -3.328 2.438
213 HB3 CYS 31 1HB CYS 31 0.170 -1.608 2.579
214 H CYS 32 H CYS 32 -1.766 -3.211 0.357
215 HA CYS 32 HA CYS 32 -2.713 -5.900 0.376
216 HB2 CYS 32 2HB CYS 32 -1.351 -4.627 -1.981
217 HB3 CYS 32 1HB CYS 32 -2.695 -5.763 -1.964
218 H THR 33 H THR 33 -1.583 -7.814 -0.031
219 HA THR 33 HA THR 33 1.035 -7.992 0.930
220 HB THR 33 HB THR 33 0.351 -10.144 -0.899
221 HG1 THR 33 1HG THR 33 -1.481 -9.827 1.240
222 HG21 THR 33 3HG2 THR 33 0.683 -9.976 2.098
223 HG22 THR 33 1HG2 THR 33 1.922 -10.425 0.928
224 HG23 THR 33 2HG2 THR 33 0.529 -11.475 1.182
225 H ASP 34 H ASP 34 -0.192 -7.441 -2.290
226 HA ASP 34 HA ASP 34 2.418 -7.915 -3.485
227 HB2 ASP 34 2HB ASP 34 -0.341 -7.683 -4.469
228 HB3 ASP 34 1HB ASP 34 0.872 -6.947 -5.515
229 H TYR 35 H TYR 35 2.086 -5.755 -1.596
230 HA TYR 35 HA TYR 35 1.920 -3.249 -2.887
231 HD1 TYR 35 2HD TYR 35 2.229 -0.908 -1.796
232 HD2 TYR 35 1HD TYR 35 4.880 -3.147 0.649
233 HE1 TYR 35 2HE TYR 35 3.516 1.127 -1.366
234 HE2 TYR 35 1HE TYR 35 6.201 -1.118 1.081
235 HH TYR 35 HH TYR 35 5.380 1.670 0.952
236 HB2 TYR 35 2HB TYR 35 1.632 -3.219 -0.549
237 HB3 TYR 35 1HB TYR 35 3.057 -4.211 -0.273
238 H THR 36 H THR 36 4.558 -5.428 -2.116
239 HA THR 36 HA THR 36 6.631 -3.717 -3.038
240 HB THR 36 HB THR 36 7.681 -6.242 -3.147
241 HG1 THR 36 1HG THR 36 5.877 -7.351 -2.477
242 HG21 THR 36 3HG2 THR 36 8.175 -4.086 -1.733
243 HG22 THR 36 1HG2 THR 36 8.747 -5.663 -1.187
244 HG23 THR 36 2HG2 THR 36 7.286 -4.962 -0.485
245 H ALA 37 H ALA 37 4.646 -6.223 -4.466
246 HA ALA 37 HA ALA 37 6.092 -6.445 -6.897
247 HB1 ALA 37 3HB ALA 37 4.809 -8.264 -6.871
248 HB2 ALA 37 1HB ALA 37 3.516 -7.228 -7.479
249 HB3 ALA 37 2HB ALA 37 3.658 -7.536 -5.746
250 H GLU 38 H GLU 38 3.059 -4.742 -6.082
251 HA GLU 38 HA GLU 38 3.011 -3.671 -8.801
252 HB2 GLU 38 2HB GLU 38 0.919 -3.943 -6.666
253 HB3 GLU 38 1HB GLU 38 0.650 -2.986 -8.117
254 HG2 GLU 38 2HG GLU 38 0.543 -4.804 -9.469
255 HG3 GLU 38 1HG GLU 38 1.632 -5.757 -8.464
256 H CYS 39 H CYS 39 4.151 -2.587 -5.887
257 HA CYS 39 HA CYS 39 3.837 0.169 -6.865
258 HB2 CYS 39 2HB CYS 39 3.241 -0.861 -4.206
259 HB3 CYS 39 1HB CYS 39 4.377 0.484 -4.169
260 H LYS 40 H LYS 40 5.887 -2.138 -5.152
261 HA LYS 40 HA LYS 40 8.128 -2.466 -5.195
262 HB2 LYS 40 2HB LYS 40 7.428 -1.412 -7.756
263 HB3 LYS 40 1HB LYS 40 8.999 -0.771 -7.299
264 HG2 LYS 40 2HG LYS 40 8.789 -3.608 -6.757
265 HG3 LYS 40 1HG LYS 40 8.494 -3.226 -8.454
266 HD2 LYS 40 2HD LYS 40 10.674 -2.941 -8.786
267 HD3 LYS 40 1HD LYS 40 10.706 -1.681 -7.550
268 HE2 LYS 40 2HE LYS 40 11.617 -3.038 -6.015
269 HE3 LYS 40 1HE LYS 40 10.596 -4.399 -6.474
270 HZ1 LYS 40 3HZ LYS 40 13.281 -4.047 -7.031
271 HZ2 LYS 40 1HZ LYS 40 12.486 -3.865 -8.515
272 HZ3 LYS 40 2HZ LYS 40 12.266 -5.280 -7.604
273 HA PRO 41 HA PRO 41 8.891 1.559 -2.945
274 HB2 PRO 41 2HB PRO 41 9.937 0.247 -0.755
275 HB3 PRO 41 1HB PRO 41 8.254 0.760 -0.909
276 HG2 PRO 41 2HG PRO 41 9.462 -1.939 -1.371
277 HG3 PRO 41 1HG PRO 41 7.913 -1.518 -0.617
278 HD2 PRO 41 2HD PRO 41 8.059 -2.431 -3.141
279 HD3 PRO 41 1HD PRO 41 6.860 -1.218 -2.652
280 H GLN 42 H GLN 42 10.983 -1.271 -2.367
281 HA GLN 42 HA GLN 42 13.034 -0.474 -4.122
282 HB2 GLN 42 2HB GLN 42 13.219 1.222 -2.193
283 HB3 GLN 42 1HB GLN 42 13.768 -0.135 -1.218
284 HG2 GLN 42 2HG GLN 42 15.359 -0.376 -3.384
285 HG3 GLN 42 1HG GLN 42 15.151 1.372 -3.308
286 HE21 GLN 42 1HE2 GLN 42 15.804 2.476 -1.424
287 HE22 GLN 42 2HE2 GLN 42 16.980 1.797 -0.346
288 H VAL 43 H VAL 43 14.399 -2.179 -4.472
289 HA VAL 43 HA VAL 43 14.451 -4.330 -2.461
290 HB VAL 43 HB VAL 43 14.112 -4.570 -5.446
291 HG11 VAL 43 1HG1 VAL 43 15.829 -6.202 -3.819
292 HG12 VAL 43 2HG1 VAL 43 15.515 -6.291 -5.553
293 HG13 VAL 43 3HG1 VAL 43 14.473 -7.157 -4.423
294 HG21 VAL 43 3HG2 VAL 43 12.044 -4.690 -4.397
295 HG22 VAL 43 1HG2 VAL 43 12.683 -5.585 -3.018
296 HG23 VAL 43 2HG2 VAL 43 12.492 -6.385 -4.578
297 H THR 44 H THR 44 16.420 -4.611 -1.705
298 HA THR 44 HA THR 44 18.716 -3.943 -3.427
299 HB THR 44 HB THR 44 19.570 -3.869 -0.751
300 HG1 THR 44 1HG THR 44 17.482 -2.010 -0.882
301 HG21 THR 44 3HG2 THR 44 18.851 -1.389 -2.256
302 HG22 THR 44 1HG2 THR 44 20.104 -2.458 -2.886
303 HG23 THR 44 2HG2 THR 44 20.281 -1.738 -1.284
304 H ARG 45 H ARG 45 20.685 -4.976 -1.662
305 HA ARG 45 HA ARG 45 20.218 -7.838 -2.046
306 HE ARG 45 HE ARG 45 20.331 -8.964 -3.654
307 HB2 ARG 45 2HB ARG 45 22.432 -6.226 -2.497
308 HB3 ARG 45 1HB ARG 45 22.840 -7.075 -1.010
309 HG2 ARG 45 2HG ARG 45 23.680 -8.469 -2.647
310 HG3 ARG 45 1HG ARG 45 22.109 -9.192 -2.297
311 HD2 ARG 45 2HD ARG 45 22.357 -7.149 -4.462
312 HD3 ARG 45 1HD ARG 45 22.856 -8.813 -4.767
313 HH11 ARG 45 1HH1 ARG 45 21.757 -7.509 -6.508
314 HH12 ARG 45 2HH1 ARG 45 20.313 -7.698 -7.468
315 HH21 ARG 45 1HH2 ARG 45 18.445 -9.169 -4.882
316 HH22 ARG 45 2HH2 ARG 45 18.411 -8.614 -6.533
317 H GLY 46 H GLY 46 21.055 -5.489 0.457
318 HA2 GLY 46 2HA GLY 46 19.724 -6.085 2.566
319 HA3 GLY 46 1HA GLY 46 20.626 -7.592 2.477
320 H ASP 47 H ASP 47 20.854 -4.143 2.997
321 HA ASP 47 HA ASP 47 22.923 -4.437 4.920
322 HB2 ASP 47 2HB ASP 47 24.065 -4.538 2.544
323 HB3 ASP 47 1HB ASP 47 23.813 -2.795 2.575
Start of MODEL 11
1 HA ASP 1 HA ASP 1 -10.052 -7.763 2.288
2 H1 ASP 1 1HT ASP 1 -11.970 -5.792 2.070
3 H2 ASP 1 2HT ASP 1 -10.500 -4.992 2.329
4 H3 ASP 1 3HT ASP 1 -11.019 -6.173 3.427
5 HB2 ASP 1 2HB ASP 1 -12.183 -7.436 0.794
6 HB3 ASP 1 1HB ASP 1 -11.043 -6.752 -0.361
7 H GLN 2 H GLN 2 -8.140 -8.176 1.134
8 HA GLN 2 HA GLN 2 -6.587 -5.758 0.577
9 HB2 GLN 2 2HB GLN 2 -5.220 -8.377 0.538
10 HB3 GLN 2 1HB GLN 2 -4.731 -6.868 1.293
11 HG2 GLN 2 2HG GLN 2 -6.914 -8.588 2.420
12 HG3 GLN 2 1HG GLN 2 -5.215 -8.831 2.820
13 HE21 GLN 2 1HE2 GLN 2 -4.224 -7.470 4.218
14 HE22 GLN 2 2HE2 GLN 2 -5.041 -6.192 5.055
15 H GLU 3 H GLU 3 -6.959 -5.183 -1.474
16 HA GLU 3 HA GLU 3 -7.231 -7.121 -3.578
17 HB2 GLU 3 2HB GLU 3 -7.917 -4.380 -3.156
18 HB3 GLU 3 1HB GLU 3 -6.946 -4.496 -4.616
19 HG2 GLU 3 2HG GLU 3 -8.647 -6.535 -5.021
20 HG3 GLU 3 1HG GLU 3 -9.666 -5.460 -4.063
21 H SER 4 H SER 4 -6.033 -6.084 -5.696
22 HA SER 4 HA SER 4 -3.194 -6.425 -5.109
23 HG SER 4 HG SER 4 -4.923 -8.473 -6.381
24 HB2 SER 4 2HB SER 4 -4.030 -6.258 -7.924
25 HB3 SER 4 1HB SER 4 -3.052 -7.480 -7.106
26 H CYS 5 H CYS 5 -1.706 -4.869 -5.545
27 HA CYS 5 HA CYS 5 -2.733 -2.193 -5.912
28 HB2 CYS 5 2HB CYS 5 -0.784 -3.105 -4.316
29 HB3 CYS 5 1HB CYS 5 0.193 -2.689 -5.722
30 H LYS 6 H LYS 6 -1.929 -0.735 -7.472
31 HA LYS 6 HA LYS 6 -0.219 -1.550 -9.590
32 HB2 LYS 6 2HB LYS 6 -1.650 -1.944 -11.329
33 HB3 LYS 6 1HB LYS 6 -2.677 -2.510 -10.022
34 HG2 LYS 6 2HG LYS 6 -4.238 -1.118 -10.751
35 HG3 LYS 6 1HG LYS 6 -3.209 0.223 -10.243
36 HD2 LYS 6 2HD LYS 6 -2.095 -0.481 -12.641
37 HD3 LYS 6 1HD LYS 6 -3.810 -0.781 -12.929
38 HE2 LYS 6 2HE LYS 6 -4.208 1.391 -13.118
39 HE3 LYS 6 1HE LYS 6 -3.488 1.701 -11.539
40 HZ1 LYS 6 3HZ LYS 6 -2.515 2.608 -13.870
41 HZ2 LYS 6 1HZ LYS 6 -1.573 1.213 -13.649
42 HZ3 LYS 6 2HZ LYS 6 -1.602 2.430 -12.460
43 H GLY 7 H GLY 7 -2.551 0.728 -8.279
44 HA2 GLY 7 2HA GLY 7 -0.745 2.888 -8.980
45 HA3 GLY 7 1HA GLY 7 -2.346 2.961 -9.702
46 H ARG 8 H ARG 8 -0.925 2.321 -6.502
47 HA ARG 8 HA ARG 8 -2.716 4.386 -5.413
48 HE ARG 8 HE ARG 8 -5.637 1.075 -6.377
49 HB2 ARG 8 2HB ARG 8 -1.950 2.129 -3.626
50 HB3 ARG 8 1HB ARG 8 -3.405 3.115 -3.623
51 HG2 ARG 8 2HG ARG 8 -3.504 1.674 -6.009
52 HG3 ARG 8 1HG ARG 8 -2.940 0.531 -4.790
53 HD2 ARG 8 2HD ARG 8 -4.873 0.664 -3.575
54 HD3 ARG 8 1HD ARG 8 -5.236 2.301 -4.126
55 HH11 ARG 8 1HH1 ARG 8 -6.447 -0.123 -3.175
56 HH12 ARG 8 2HH1 ARG 8 -7.755 -1.119 -3.747
57 HH21 ARG 8 1HH2 ARG 8 -7.361 -0.253 -7.109
58 HH22 ARG 8 2HH2 ARG 8 -8.252 -1.211 -5.974
59 H CYS 9 H CYS 9 0.309 2.628 -5.221
60 HA CYS 9 HA CYS 9 1.445 4.005 -3.023
61 HB2 CYS 9 2HB CYS 9 3.589 3.109 -4.463
62 HB3 CYS 9 1HB CYS 9 2.662 2.117 -3.341
63 H THR 10 H THR 10 0.985 4.795 -6.308
64 HA THR 10 HA THR 10 3.173 6.666 -6.496
65 HB THR 10 HB THR 10 1.760 7.147 -8.717
66 HG1 THR 10 1HG THR 10 0.043 5.865 -8.627
67 HG21 THR 10 3HG2 THR 10 4.062 6.123 -8.462
68 HG22 THR 10 1HG2 THR 10 3.126 5.537 -9.838
69 HG23 THR 10 2HG2 THR 10 3.267 4.551 -8.381
70 H GLU 11 H GLU 11 0.011 6.719 -5.297
71 HA GLU 11 HA GLU 11 -0.227 9.617 -5.766
72 HB2 GLU 11 2HB GLU 11 -2.614 8.217 -4.766
73 HB3 GLU 11 1HB GLU 11 -2.463 9.413 -6.044
74 HG2 GLU 11 2HG GLU 11 -1.685 6.525 -6.366
75 HG3 GLU 11 1HG GLU 11 -3.281 7.160 -6.756
76 H GLY 12 H GLY 12 -1.017 7.125 -3.341
77 HA2 GLY 12 2HA GLY 12 0.210 7.846 -1.145
78 HA3 GLY 12 1HA GLY 12 -0.929 9.181 -1.262
79 H PHE 13 H PHE 13 -1.465 8.180 0.922
80 HA PHE 13 HA PHE 13 -2.998 5.732 0.805
81 HD1 PHE 13 1HD PHE 13 -5.152 6.146 3.416
82 HD2 PHE 13 2HD PHE 13 -1.247 4.461 3.504
83 HE1 PHE 13 1HE PHE 13 -6.050 4.138 4.513
84 HE2 PHE 13 2HE PHE 13 -2.134 2.448 4.600
85 HZ PHE 13 HZ PHE 13 -4.538 2.281 5.104
86 HB2 PHE 13 2HB PHE 13 -1.518 6.637 2.778
87 HB3 PHE 13 1HB PHE 13 -2.976 7.527 3.202
88 H ASN 14 H ASN 14 -4.971 5.823 -0.080
89 HA ASN 14 HA ASN 14 -6.735 8.028 0.628
90 HB2 ASN 14 2HB ASN 14 -6.407 6.572 -1.706
91 HB3 ASN 14 1HB ASN 14 -7.873 5.893 -0.993
92 HD21 ASN 14 1HD2 ASN 14 -9.628 6.822 -1.568
93 HD22 ASN 14 2HD2 ASN 14 -9.832 8.472 -2.053
94 H VAL 15 H VAL 15 -7.552 7.707 2.611
95 HA VAL 15 HA VAL 15 -8.041 5.050 3.639
96 HB VAL 15 HB VAL 15 -9.188 7.317 5.143
97 HG11 VAL 15 1HG1 VAL 15 -7.914 4.743 5.617
98 HG12 VAL 15 2HG1 VAL 15 -9.068 5.635 6.610
99 HG13 VAL 15 3HG1 VAL 15 -7.345 6.004 6.716
100 HG21 VAL 15 3HG2 VAL 15 -6.467 7.448 4.105
101 HG22 VAL 15 1HG2 VAL 15 -6.553 7.574 5.863
102 HG23 VAL 15 2HG2 VAL 15 -7.456 8.703 4.850
103 H ASP 16 H ASP 16 -9.446 5.450 1.365
104 HA ASP 16 HA ASP 16 -12.229 5.514 2.290
105 HB2 ASP 16 2HB ASP 16 -12.521 7.347 1.014
106 HB3 ASP 16 1HB ASP 16 -10.947 7.156 0.253
107 H LYS 17 H LYS 17 -9.765 4.065 0.326
108 HA LYS 17 HA LYS 17 -11.637 2.326 -1.055
109 HB2 LYS 17 2HB LYS 17 -8.613 2.336 -1.159
110 HB3 LYS 17 1HB LYS 17 -9.692 1.480 -2.250
111 HG2 LYS 17 2HG LYS 17 -10.197 4.356 -2.104
112 HG3 LYS 17 1HG LYS 17 -8.594 3.930 -2.708
113 HD2 LYS 17 2HD LYS 17 -9.975 4.039 -4.616
114 HD3 LYS 17 1HD LYS 17 -9.776 2.318 -4.276
115 HE2 LYS 17 2HE LYS 17 -12.052 2.513 -4.695
116 HE3 LYS 17 1HE LYS 17 -11.964 2.551 -2.935
117 HZ1 LYS 17 3HZ LYS 17 -13.425 4.265 -3.598
118 HZ2 LYS 17 1HZ LYS 17 -12.353 4.842 -4.781
119 HZ3 LYS 17 2HZ LYS 17 -11.988 5.034 -3.132
120 H LYS 18 H LYS 18 -10.138 -0.010 -1.204
121 HA LYS 18 HA LYS 18 -10.695 -1.099 1.447
122 HB2 LYS 18 2HB LYS 18 -10.431 -2.287 -1.291
123 HB3 LYS 18 1HB LYS 18 -10.222 -3.311 0.124
124 HG2 LYS 18 2HG LYS 18 -12.443 -3.608 -0.156
125 HG3 LYS 18 1HG LYS 18 -12.515 -2.126 0.802
126 HD2 LYS 18 2HD LYS 18 -12.193 -1.224 -1.796
127 HD3 LYS 18 1HD LYS 18 -13.296 -2.594 -1.955
128 HE2 LYS 18 2HE LYS 18 -14.301 -1.297 0.229
129 HE3 LYS 18 1HE LYS 18 -13.720 0.043 -0.760
130 HZ1 LYS 18 3HZ LYS 18 -15.385 -2.092 -1.935
131 HZ2 LYS 18 1HZ LYS 18 -15.136 -0.509 -2.489
132 HZ3 LYS 18 2HZ LYS 18 -16.096 -0.792 -1.118
133 H CYS 19 H CYS 19 -8.193 -1.611 -1.046
134 HA CYS 19 HA CYS 19 -6.259 -1.882 1.147
135 HB2 CYS 19 2HB CYS 19 -5.052 -3.428 -0.065
136 HB3 CYS 19 1HB CYS 19 -6.683 -3.794 -0.617
137 H GLN 20 H GLN 20 -4.466 -0.660 1.175
138 HA GLN 20 HA GLN 20 -4.309 1.490 -0.835
139 HB2 GLN 20 2HB GLN 20 -3.974 1.522 2.160
140 HB3 GLN 20 1HB GLN 20 -3.239 2.760 1.157
141 HG2 GLN 20 2HG GLN 20 -5.326 3.510 2.126
142 HG3 GLN 20 1HG GLN 20 -5.427 3.446 0.364
143 HE21 GLN 20 1HE2 GLN 20 -5.982 1.280 3.128
144 HE22 GLN 20 2HE2 GLN 20 -7.489 0.658 2.555
145 H CYS 21 H CYS 21 -2.177 2.141 -1.439
146 HA CYS 21 HA CYS 21 -0.024 0.612 -0.135
147 HB2 CYS 21 2HB CYS 21 -0.234 1.534 -3.014
148 HB3 CYS 21 1HB CYS 21 1.250 0.924 -2.289
149 H ASP 22 H ASP 22 0.985 1.942 1.177
150 HA ASP 22 HA ASP 22 2.059 4.435 0.228
151 HB2 ASP 22 2HB ASP 22 -0.297 4.928 1.116
152 HB3 ASP 22 1HB ASP 22 0.343 4.536 2.710
153 H GLU 23 H GLU 23 3.358 5.477 2.142
154 HA GLU 23 HA GLU 23 4.867 3.561 3.607
155 HB2 GLU 23 2HB GLU 23 5.848 5.718 3.119
156 HB3 GLU 23 1HB GLU 23 4.527 6.555 3.922
157 HG2 GLU 23 2HG GLU 23 5.703 6.565 5.790
158 HG3 GLU 23 1HG GLU 23 5.643 4.805 5.818
159 H LEU 24 H LEU 24 2.009 5.502 4.212
160 HA LEU 24 HA LEU 24 1.800 4.881 7.015
161 HG LEU 24 HG LEU 24 1.923 7.308 6.571
162 HB2 LEU 24 2HB LEU 24 0.038 6.214 4.993
163 HB3 LEU 24 1HB LEU 24 -0.601 5.775 6.566
164 HD11 LEU 24 1HD1 LEU 24 1.220 9.171 5.590
165 HD12 LEU 24 2HD1 LEU 24 -0.347 9.095 6.398
166 HD13 LEU 24 3HD1 LEU 24 -0.083 8.205 4.898
167 HD21 LEU 24 3HD2 LEU 24 1.084 8.194 8.559
168 HD22 LEU 24 1HD2 LEU 24 0.533 6.519 8.569
169 HD23 LEU 24 2HD2 LEU 24 -0.582 7.811 8.133
170 H CYS 25 H CYS 25 1.657 2.791 4.649
171 HA CYS 25 HA CYS 25 -0.913 1.667 4.672
172 HB2 CYS 25 2HB CYS 25 -0.040 0.339 3.098
173 HB3 CYS 25 1HB CYS 25 1.489 1.174 3.346
174 H SER 26 H SER 26 1.932 1.010 6.672
175 HA SER 26 HA SER 26 0.789 -1.255 7.961
176 HG SER 26 HG SER 26 4.307 0.575 8.228
177 HB2 SER 26 2HB SER 26 2.813 -0.133 9.595
178 HB3 SER 26 1HB SER 26 2.945 -1.511 8.500
179 H TYR 27 H TYR 27 0.761 2.173 8.558
180 HA TYR 27 HA TYR 27 0.094 2.142 11.291
181 HD1 TYR 27 1HD TYR 27 -0.093 4.351 12.821
182 HD2 TYR 27 2HD TYR 27 -2.307 5.393 9.339
183 HE1 TYR 27 1HE TYR 27 -1.601 5.721 14.195
184 HE2 TYR 27 2HE TYR 27 -3.818 6.764 10.698
185 HH TYR 27 HH TYR 27 -3.222 7.923 13.534
186 HB2 TYR 27 2HB TYR 27 0.845 4.198 10.377
187 HB3 TYR 27 1HB TYR 27 -0.364 4.161 9.099
188 H TYR 28 H TYR 28 -1.969 2.364 8.402
189 HA TYR 28 HA TYR 28 -4.368 2.040 9.991
190 HD1 TYR 28 1HD TYR 28 -6.321 3.791 9.356
191 HD2 TYR 28 2HD TYR 28 -3.026 4.354 6.728
192 HE1 TYR 28 1HE TYR 28 -6.562 6.230 9.580
193 HE2 TYR 28 2HE TYR 28 -3.254 6.786 6.949
194 HH TYR 28 HH TYR 28 -4.709 8.308 9.253
195 HB2 TYR 28 2HB TYR 28 -3.902 2.212 7.004
196 HB3 TYR 28 1HB TYR 28 -5.492 1.984 7.723
197 H GLN 29 H GLN 29 -2.057 0.058 8.578
198 HA GLN 29 HA GLN 29 -1.830 -2.149 8.174
199 HB2 GLN 29 2HB GLN 29 -3.400 -1.929 10.531
200 HB3 GLN 29 1HB GLN 29 -4.061 -3.255 9.581
201 HG2 GLN 29 2HG GLN 29 -2.369 -4.584 10.105
202 HG3 GLN 29 1HG GLN 29 -1.178 -3.359 9.663
203 HE21 GLN 29 1HE2 GLN 29 -0.869 -1.609 11.289
204 HE22 GLN 29 2HE2 GLN 29 -0.873 -2.071 12.959
205 H SER 30 H SER 30 -3.073 -0.829 6.202
206 HA SER 30 HA SER 30 -4.944 -2.835 5.174
207 HG SER 30 HG SER 30 -5.697 -1.084 7.059
208 HB2 SER 30 2HB SER 30 -5.502 0.030 4.537
209 HB3 SER 30 1HB SER 30 -6.620 -1.328 4.676
210 H CYS 31 H CYS 31 -2.600 -3.210 4.301
211 HA CYS 31 HA CYS 31 -2.123 -1.545 1.935
212 HB2 CYS 31 2HB CYS 31 -0.169 -3.654 2.557
213 HB3 CYS 31 1HB CYS 31 0.090 -1.963 2.140
214 H CYS 32 H CYS 32 -1.822 -2.488 -0.109
215 HA CYS 32 HA CYS 32 -3.126 -5.028 -0.540
216 HB2 CYS 32 2HB CYS 32 -1.558 -3.646 -2.679
217 HB3 CYS 32 1HB CYS 32 -3.080 -4.522 -2.799
218 H THR 33 H THR 33 -2.132 -6.941 -1.042
219 HA THR 33 HA THR 33 0.422 -7.420 0.006
220 HB THR 33 HB THR 33 -0.251 -9.468 -1.861
221 HG1 THR 33 1HG THR 33 -2.489 -9.609 -0.539
222 HG21 THR 33 3HG2 THR 33 0.130 -10.727 -0.049
223 HG22 THR 33 1HG2 THR 33 -1.133 -9.910 0.876
224 HG23 THR 33 2HG2 THR 33 0.490 -9.221 0.797
225 H ASP 34 H ASP 34 -0.575 -6.319 -3.060
226 HA ASP 34 HA ASP 34 1.716 -7.302 -4.519
227 HB2 ASP 34 2HB ASP 34 -0.896 -6.289 -5.136
228 HB3 ASP 34 1HB ASP 34 0.310 -5.384 -6.042
229 H TYR 35 H TYR 35 1.890 -5.127 -2.279
230 HA TYR 35 HA TYR 35 2.558 -2.705 -3.575
231 HD1 TYR 35 2HD TYR 35 5.685 -2.250 -1.731
232 HD2 TYR 35 1HD TYR 35 1.839 -0.580 -1.031
233 HE1 TYR 35 2HE TYR 35 6.685 -0.020 -1.624
234 HE2 TYR 35 1HE TYR 35 2.834 1.669 -0.925
235 HH TYR 35 HH TYR 35 5.558 2.474 -0.307
236 HB2 TYR 35 2HB TYR 35 2.070 -2.911 -1.109
237 HB3 TYR 35 1HB TYR 35 3.663 -3.638 -0.914
238 H THR 36 H THR 36 4.637 -5.264 -2.247
239 HA THR 36 HA THR 36 7.012 -4.027 -3.177
240 HB THR 36 HB THR 36 7.900 -6.453 -2.678
241 HG1 THR 36 1HG THR 36 6.483 -7.725 -1.658
242 HG21 THR 36 3HG2 THR 36 8.633 -5.344 -0.887
243 HG22 THR 36 1HG2 THR 36 7.037 -5.464 -0.141
244 HG23 THR 36 2HG2 THR 36 7.421 -4.098 -1.191
245 H ALA 37 H ALA 37 4.793 -6.347 -4.509
246 HA ALA 37 HA ALA 37 6.452 -7.298 -6.597
247 HB1 ALA 37 3HB ALA 37 3.445 -7.196 -6.386
248 HB2 ALA 37 1HB ALA 37 4.493 -8.538 -5.919
249 HB3 ALA 37 2HB ALA 37 4.347 -8.083 -7.617
250 H GLU 38 H GLU 38 3.855 -4.844 -6.567
251 HA GLU 38 HA GLU 38 4.545 -4.100 -9.295
252 HB2 GLU 38 2HB GLU 38 2.266 -3.288 -7.491
253 HB3 GLU 38 1HB GLU 38 2.506 -2.643 -9.109
254 HG2 GLU 38 2HG GLU 38 1.848 -5.450 -8.301
255 HG3 GLU 38 1HG GLU 38 0.926 -4.358 -9.335
256 H CYS 39 H CYS 39 4.283 -2.467 -6.111
257 HA CYS 39 HA CYS 39 4.994 0.074 -7.221
258 HB2 CYS 39 2HB CYS 39 5.104 -0.684 -4.304
259 HB3 CYS 39 1HB CYS 39 4.934 0.928 -4.991
260 H LYS 40 H LYS 40 6.727 -2.303 -5.233
261 HA LYS 40 HA LYS 40 8.938 -2.669 -4.860
262 HB2 LYS 40 2HB LYS 40 9.260 -1.189 -7.476
263 HB3 LYS 40 1HB LYS 40 10.523 -2.109 -6.675
264 HG2 LYS 40 2HG LYS 40 8.435 -3.903 -6.868
265 HG3 LYS 40 1HG LYS 40 8.371 -3.013 -8.390
266 HD2 LYS 40 2HD LYS 40 10.039 -4.285 -9.129
267 HD3 LYS 40 1HD LYS 40 11.087 -3.537 -7.922
268 HE2 LYS 40 2HE LYS 40 11.131 -5.987 -7.767
269 HE3 LYS 40 1HE LYS 40 10.466 -5.257 -6.304
270 HZ1 LYS 40 3HZ LYS 40 8.356 -5.983 -6.796
271 HZ2 LYS 40 1HZ LYS 40 9.283 -7.273 -7.395
272 HZ3 LYS 40 2HZ LYS 40 8.654 -6.117 -8.463
273 HA PRO 41 HA PRO 41 9.050 1.553 -2.943
274 HB2 PRO 41 2HB PRO 41 10.130 0.546 -0.591
275 HB3 PRO 41 1HB PRO 41 8.405 0.779 -0.904
276 HG2 PRO 41 2HG PRO 41 10.048 -1.706 -1.103
277 HG3 PRO 41 1HG PRO 41 8.389 -1.501 -0.515
278 HD2 PRO 41 2HD PRO 41 8.901 -2.509 -2.940
279 HD3 PRO 41 1HD PRO 41 7.506 -1.446 -2.653
280 H GLN 42 H GLN 42 11.587 -0.767 -1.993
281 HA GLN 42 HA GLN 42 13.605 0.719 -3.409
282 HB2 GLN 42 2HB GLN 42 13.065 1.608 -0.897
283 HB3 GLN 42 1HB GLN 42 14.296 0.397 -0.560
284 HG2 GLN 42 2HG GLN 42 14.789 2.354 -2.733
285 HG3 GLN 42 1HG GLN 42 14.926 2.891 -1.059
286 HE21 GLN 42 1HE2 GLN 42 16.918 2.490 -3.238
287 HE22 GLN 42 2HE2 GLN 42 18.131 1.473 -2.536
288 H VAL 43 H VAL 43 14.856 -0.788 -4.281
289 HA VAL 43 HA VAL 43 15.178 -3.355 -2.927
290 HB VAL 43 HB VAL 43 16.305 -2.613 -5.627
291 HG11 VAL 43 1HG1 VAL 43 16.477 -4.958 -5.985
292 HG12 VAL 43 2HG1 VAL 43 15.554 -5.313 -4.524
293 HG13 VAL 43 3HG1 VAL 43 17.174 -4.624 -4.399
294 HG21 VAL 43 3HG2 VAL 43 13.535 -3.121 -4.864
295 HG22 VAL 43 1HG2 VAL 43 14.119 -4.195 -6.132
296 HG23 VAL 43 2HG2 VAL 43 14.195 -2.450 -6.353
297 H THR 44 H THR 44 16.479 -2.627 -1.233
298 HA THR 44 HA THR 44 18.845 -1.144 -1.534
299 HB THR 44 HB THR 44 18.565 -3.113 0.686
300 HG1 THR 44 1HG THR 44 16.879 -0.847 0.242
301 HG21 THR 44 3HG2 THR 44 19.075 -0.169 0.922
302 HG22 THR 44 1HG2 THR 44 20.364 -1.249 0.387
303 HG23 THR 44 2HG2 THR 44 19.616 -1.481 1.969
304 H ARG 45 H ARG 45 20.408 -1.847 -2.880
305 HA ARG 45 HA ARG 45 21.161 -4.619 -3.034
306 HE ARG 45 HE ARG 45 23.693 -6.948 -5.282
307 HB2 ARG 45 2HB ARG 45 21.292 -3.089 -4.995
308 HB3 ARG 45 1HB ARG 45 22.561 -2.190 -4.175
309 HG2 ARG 45 2HG ARG 45 23.791 -3.554 -5.539
310 HG3 ARG 45 1HG ARG 45 23.738 -4.516 -4.061
311 HD2 ARG 45 2HD ARG 45 21.723 -5.682 -5.028
312 HD3 ARG 45 1HD ARG 45 22.070 -4.856 -6.547
313 HH11 ARG 45 1HH1 ARG 45 23.069 -4.826 -7.995
314 HH12 ARG 45 2HH1 ARG 45 24.208 -5.617 -9.045
315 HH21 ARG 45 1HH2 ARG 45 25.231 -7.971 -6.639
316 HH22 ARG 45 2HH2 ARG 45 25.461 -7.386 -8.263
317 H GLY 46 H GLY 46 22.113 -5.449 -1.294
318 HA2 GLY 46 2HA GLY 46 24.619 -5.239 -0.462
319 HA3 GLY 46 1HA GLY 46 23.922 -3.821 0.311
320 H ASP 47 H ASP 47 22.651 -7.079 -0.238
321 HA ASP 47 HA ASP 47 21.743 -7.131 2.528
322 HB2 ASP 47 2HB ASP 47 20.122 -8.594 1.856
323 HB3 ASP 47 1HB ASP 47 20.443 -7.835 0.303
Start of MODEL 12
1 HA ASP 1 HA ASP 1 -0.908 -11.788 -7.248
2 H1 ASP 1 1HT ASP 1 -1.593 -10.707 -5.251
3 H2 ASP 1 2HT ASP 1 -0.980 -12.241 -4.860
4 H3 ASP 1 3HT ASP 1 -2.651 -11.976 -4.864
5 HB2 ASP 1 2HB ASP 1 -2.596 -13.882 -7.727
6 HB3 ASP 1 1HB ASP 1 -0.941 -14.047 -7.160
7 H GLN 2 H GLN 2 -3.535 -10.521 -5.795
8 HA GLN 2 HA GLN 2 -4.599 -9.658 -8.327
9 HB2 GLN 2 2HB GLN 2 -5.862 -11.824 -7.188
10 HB3 GLN 2 1HB GLN 2 -6.804 -10.470 -6.575
11 HG2 GLN 2 2HG GLN 2 -6.981 -9.660 -8.951
12 HG3 GLN 2 1HG GLN 2 -6.295 -11.208 -9.445
13 HE21 GLN 2 1HE2 GLN 2 -8.966 -9.726 -7.675
14 HE22 GLN 2 2HE2 GLN 2 -10.109 -10.993 -8.002
15 H GLU 3 H GLU 3 -6.214 -7.923 -8.024
16 HA GLU 3 HA GLU 3 -6.625 -5.823 -7.282
17 HB2 GLU 3 2HB GLU 3 -6.701 -7.469 -4.798
18 HB3 GLU 3 1HB GLU 3 -6.720 -5.716 -4.633
19 HG2 GLU 3 2HG GLU 3 -8.965 -6.357 -4.681
20 HG3 GLU 3 1HG GLU 3 -8.620 -5.720 -6.289
21 H SER 4 H SER 4 -3.993 -6.529 -7.875
22 HA SER 4 HA SER 4 -2.087 -5.664 -6.013
23 HG SER 4 HG SER 4 -1.724 -7.954 -7.884
24 HB2 SER 4 2HB SER 4 -1.551 -5.340 -8.919
25 HB3 SER 4 1HB SER 4 -0.579 -6.129 -7.675
26 H CYS 5 H CYS 5 -1.352 -3.695 -5.498
27 HA CYS 5 HA CYS 5 -2.684 -1.364 -6.515
28 HB2 CYS 5 2HB CYS 5 -0.199 -1.227 -4.852
29 HB3 CYS 5 1HB CYS 5 -1.611 -0.175 -4.825
30 H LYS 6 H LYS 6 -2.146 -0.404 -8.331
31 HA LYS 6 HA LYS 6 0.697 -0.374 -9.117
32 HB2 LYS 6 2HB LYS 6 -1.420 0.111 -11.155
33 HB3 LYS 6 1HB LYS 6 0.151 -0.654 -11.332
34 HG2 LYS 6 2HG LYS 6 -1.437 -2.302 -9.658
35 HG3 LYS 6 1HG LYS 6 -2.391 -1.875 -11.078
36 HD2 LYS 6 2HD LYS 6 0.406 -3.008 -11.145
37 HD3 LYS 6 1HD LYS 6 -1.070 -3.946 -11.384
38 HE2 LYS 6 2HE LYS 6 -1.610 -2.688 -13.366
39 HE3 LYS 6 1HE LYS 6 -0.262 -1.591 -13.082
40 HZ1 LYS 6 3HZ LYS 6 1.174 -3.680 -13.259
41 HZ2 LYS 6 1HZ LYS 6 0.513 -3.056 -14.693
42 HZ3 LYS 6 2HZ LYS 6 -0.189 -4.414 -13.956
43 H GLY 7 H GLY 7 -2.375 1.347 -9.522
44 HA2 GLY 7 2HA GLY 7 -0.933 3.872 -9.699
45 HA3 GLY 7 1HA GLY 7 -2.653 3.632 -9.978
46 H ARG 8 H ARG 8 -2.457 1.981 -7.270
47 HA ARG 8 HA ARG 8 -3.197 4.395 -5.781
48 HE ARG 8 HE ARG 8 -6.689 0.075 -5.674
49 HB2 ARG 8 2HB ARG 8 -4.576 3.000 -4.376
50 HB3 ARG 8 1HB ARG 8 -4.953 2.675 -6.059
51 HG2 ARG 8 2HG ARG 8 -3.873 0.588 -6.004
52 HG3 ARG 8 1HG ARG 8 -3.075 0.953 -4.472
53 HD2 ARG 8 2HD ARG 8 -4.754 -0.147 -3.495
54 HD3 ARG 8 1HD ARG 8 -5.756 1.249 -3.891
55 HH11 ARG 8 1HH1 ARG 8 -4.305 -1.851 -3.969
56 HH12 ARG 8 2HH1 ARG 8 -4.725 -3.329 -4.783
57 HH21 ARG 8 1HH2 ARG 8 -7.244 -1.876 -6.752
58 HH22 ARG 8 2HH2 ARG 8 -6.388 -3.336 -6.356
59 H CYS 9 H CYS 9 -0.518 3.839 -6.079
60 HA CYS 9 HA CYS 9 0.227 3.381 -3.269
61 HB2 CYS 9 2HB CYS 9 0.887 1.600 -5.166
62 HB3 CYS 9 1HB CYS 9 2.221 2.726 -5.376
63 H THR 10 H THR 10 0.099 5.498 -5.820
64 HA THR 10 HA THR 10 2.419 7.031 -4.861
65 HB THR 10 HB THR 10 2.067 7.883 -7.446
66 HG1 THR 10 1HG THR 10 1.031 6.340 -8.477
67 HG21 THR 10 3HG2 THR 10 3.859 5.726 -6.326
68 HG22 THR 10 1HG2 THR 10 4.218 7.445 -6.486
69 HG23 THR 10 2HG2 THR 10 4.070 6.439 -7.926
70 H GLU 11 H GLU 11 -0.812 6.997 -4.843
71 HA GLU 11 HA GLU 11 -1.155 9.869 -5.386
72 HB2 GLU 11 2HB GLU 11 -3.410 7.960 -4.858
73 HB3 GLU 11 1HB GLU 11 -3.431 9.470 -5.760
74 HG2 GLU 11 2HG GLU 11 -1.657 7.464 -6.899
75 HG3 GLU 11 1HG GLU 11 -3.345 6.960 -6.839
76 H GLY 12 H GLY 12 -0.153 8.241 -2.950
77 HA2 GLY 12 2HA GLY 12 -0.071 8.867 -0.702
78 HA3 GLY 12 1HA GLY 12 -1.477 9.895 -0.965
79 H PHE 13 H PHE 13 -1.939 8.766 1.190
80 HA PHE 13 HA PHE 13 -2.976 6.058 0.822
81 HD1 PHE 13 1HD PHE 13 -5.082 6.096 3.684
82 HD2 PHE 13 2HD PHE 13 -1.129 4.601 3.238
83 HE1 PHE 13 1HE PHE 13 -5.789 3.951 4.658
84 HE2 PHE 13 2HE PHE 13 -1.819 2.453 4.206
85 HZ PHE 13 HZ PHE 13 -4.154 2.122 4.919
86 HB2 PHE 13 2HB PHE 13 -1.553 6.849 2.846
87 HB3 PHE 13 1HB PHE 13 -3.046 7.593 3.410
88 H ASN 14 H ASN 14 -4.920 6.091 -0.135
89 HA ASN 14 HA ASN 14 -6.951 7.977 0.626
90 HB2 ASN 14 2HB ASN 14 -6.546 6.025 -1.484
91 HB3 ASN 14 1HB ASN 14 -8.154 5.878 -0.775
92 HD21 ASN 14 1HD2 ASN 14 -9.645 7.346 -1.202
93 HD22 ASN 14 2HD2 ASN 14 -9.404 8.730 -2.217
94 H VAL 15 H VAL 15 -7.468 7.655 2.766
95 HA VAL 15 HA VAL 15 -7.872 4.981 3.794
96 HB VAL 15 HB VAL 15 -8.857 7.153 5.493
97 HG11 VAL 15 1HG1 VAL 15 -6.676 5.876 6.675
98 HG12 VAL 15 2HG1 VAL 15 -7.477 4.640 5.703
99 HG13 VAL 15 3HG1 VAL 15 -8.387 5.528 6.926
100 HG21 VAL 15 3HG2 VAL 15 -6.231 7.653 5.912
101 HG22 VAL 15 1HG2 VAL 15 -7.284 8.666 4.920
102 HG23 VAL 15 2HG2 VAL 15 -6.249 7.457 4.159
103 H ASP 16 H ASP 16 -9.506 5.492 1.662
104 HA ASP 16 HA ASP 16 -12.167 5.450 2.893
105 HB2 ASP 16 2HB ASP 16 -12.927 7.194 1.685
106 HB3 ASP 16 1HB ASP 16 -11.239 7.555 1.355
107 H LYS 17 H LYS 17 -9.902 3.933 0.950
108 HA LYS 17 HA LYS 17 -11.835 2.832 -0.923
109 HB2 LYS 17 2HB LYS 17 -8.880 3.095 -0.843
110 HB3 LYS 17 1HB LYS 17 -9.534 1.712 -1.711
111 HG2 LYS 17 2HG LYS 17 -10.173 4.607 -2.240
112 HG3 LYS 17 1HG LYS 17 -9.136 3.565 -3.218
113 HD2 LYS 17 2HD LYS 17 -10.935 2.290 -3.978
114 HD3 LYS 17 1HD LYS 17 -11.987 2.812 -2.666
115 HE2 LYS 17 2HE LYS 17 -11.029 4.515 -4.960
116 HE3 LYS 17 1HE LYS 17 -12.640 3.819 -4.786
117 HZ1 LYS 17 3HZ LYS 17 -13.259 5.420 -3.373
118 HZ2 LYS 17 1HZ LYS 17 -11.944 6.294 -3.990
119 HZ3 LYS 17 2HZ LYS 17 -11.786 5.431 -2.536
120 H LYS 18 H LYS 18 -11.151 0.446 -1.556
121 HA LYS 18 HA LYS 18 -11.845 -1.133 0.762
122 HB2 LYS 18 2HB LYS 18 -11.356 -2.068 -2.071
123 HB3 LYS 18 1HB LYS 18 -12.191 -2.947 -0.799
124 HG2 LYS 18 2HG LYS 18 -13.986 -2.170 -1.950
125 HG3 LYS 18 1HG LYS 18 -13.755 -0.810 -0.850
126 HD2 LYS 18 2HD LYS 18 -13.073 0.578 -2.501
127 HD3 LYS 18 1HD LYS 18 -12.209 -0.699 -3.356
128 HE2 LYS 18 2HE LYS 18 -14.347 0.402 -4.389
129 HE3 LYS 18 1HE LYS 18 -14.058 -1.332 -4.558
130 HZ1 LYS 18 3HZ LYS 18 -15.743 -0.141 -2.417
131 HZ2 LYS 18 1HZ LYS 18 -15.596 -1.787 -2.810
132 HZ3 LYS 18 2HZ LYS 18 -16.357 -0.725 -3.887
133 H CYS 19 H CYS 19 -9.087 -0.577 -1.274
134 HA CYS 19 HA CYS 19 -7.435 -2.075 0.607
135 HB2 CYS 19 2HB CYS 19 -8.012 -3.255 -1.749
136 HB3 CYS 19 1HB CYS 19 -6.642 -2.273 -2.251
137 H GLN 20 H GLN 20 -5.261 -1.289 0.702
138 HA GLN 20 HA GLN 20 -4.924 1.381 -0.488
139 HB2 GLN 20 2HB GLN 20 -4.732 0.555 2.391
140 HB3 GLN 20 1HB GLN 20 -3.813 1.927 1.794
141 HG2 GLN 20 2HG GLN 20 -5.625 3.048 2.481
142 HG3 GLN 20 1HG GLN 20 -6.217 2.612 0.876
143 HE21 GLN 20 1HE2 GLN 20 -5.932 -0.021 3.008
144 HE22 GLN 20 2HE2 GLN 20 -7.600 -0.148 3.451
145 H CYS 21 H CYS 21 -2.834 1.939 -1.044
146 HA CYS 21 HA CYS 21 -0.655 0.351 0.076
147 HB2 CYS 21 2HB CYS 21 -1.354 0.565 -2.832
148 HB3 CYS 21 1HB CYS 21 0.349 0.545 -2.381
149 H ASP 22 H ASP 22 0.637 1.775 1.007
150 HA ASP 22 HA ASP 22 1.617 4.050 -0.472
151 HB2 ASP 22 2HB ASP 22 -0.483 4.846 0.724
152 HB3 ASP 22 1HB ASP 22 0.366 4.543 2.236
153 H GLU 23 H GLU 23 3.276 5.254 1.084
154 HA GLU 23 HA GLU 23 4.982 3.395 2.402
155 HB2 GLU 23 2HB GLU 23 5.901 5.461 1.524
156 HB3 GLU 23 1HB GLU 23 4.814 6.416 2.521
157 HG2 GLU 23 2HG GLU 23 7.094 6.400 3.390
158 HG3 GLU 23 1HG GLU 23 5.952 5.683 4.524
159 H LEU 24 H LEU 24 2.276 5.401 3.305
160 HA LEU 24 HA LEU 24 2.519 4.938 6.139
161 HG LEU 24 HG LEU 24 2.315 7.552 5.034
162 HB2 LEU 24 2HB LEU 24 0.370 6.105 4.386
163 HB3 LEU 24 1HB LEU 24 0.100 5.816 6.093
164 HD11 LEU 24 1HD1 LEU 24 0.614 9.285 6.171
165 HD12 LEU 24 2HD1 LEU 24 -0.535 8.111 5.530
166 HD13 LEU 24 3HD1 LEU 24 0.608 8.907 4.449
167 HD21 LEU 24 3HD2 LEU 24 2.743 8.154 7.217
168 HD22 LEU 24 1HD2 LEU 24 2.358 6.442 7.380
169 HD23 LEU 24 2HD2 LEU 24 1.145 7.660 7.775
170 H CYS 25 H CYS 25 2.146 2.698 3.994
171 HA CYS 25 HA CYS 25 -0.322 1.444 4.513
172 HB2 CYS 25 2HB CYS 25 0.424 0.156 2.849
173 HB3 CYS 25 1HB CYS 25 2.010 0.902 2.972
174 H SER 26 H SER 26 2.831 1.212 6.068
175 HA SER 26 HA SER 26 2.100 -0.893 7.842
176 HG SER 26 HG SER 26 5.375 1.025 6.932
177 HB2 SER 26 2HB SER 26 4.290 0.805 8.746
178 HB3 SER 26 1HB SER 26 4.307 -0.896 8.271
179 H TYR 27 H TYR 27 1.904 2.585 7.922
180 HA TYR 27 HA TYR 27 1.506 2.940 10.684
181 HD1 TYR 27 2HD TYR 27 1.437 5.264 11.875
182 HD2 TYR 27 1HD TYR 27 -1.331 5.797 8.687
183 HE1 TYR 27 2HE TYR 27 0.103 6.764 13.293
184 HE2 TYR 27 1HE TYR 27 -2.673 7.299 10.094
185 HH TYR 27 HH TYR 27 -1.529 8.704 12.868
186 HB2 TYR 27 2HB TYR 27 1.991 4.851 9.315
187 HB3 TYR 27 1HB TYR 27 0.583 4.556 8.301
188 H TYR 28 H TYR 28 -0.862 2.628 8.039
189 HA TYR 28 HA TYR 28 -3.034 2.427 9.945
190 HD1 TYR 28 1HD TYR 28 -5.192 3.757 9.561
191 HD2 TYR 28 2HD TYR 28 -2.479 4.656 6.409
192 HE1 TYR 28 1HE TYR 28 -5.759 6.142 9.757
193 HE2 TYR 28 2HE TYR 28 -3.028 7.042 6.603
194 HH TYR 28 HH TYR 28 -4.056 8.601 7.868
195 HB2 TYR 28 2HB TYR 28 -2.879 2.440 6.940
196 HB3 TYR 28 1HB TYR 28 -4.371 2.017 7.771
197 H GLN 29 H GLN 29 -0.878 0.324 8.404
198 HA GLN 29 HA GLN 29 -0.673 -1.924 8.232
199 HB2 GLN 29 2HB GLN 29 -1.298 -1.494 10.774
200 HB3 GLN 29 1HB GLN 29 -2.748 -2.375 10.323
201 HG2 GLN 29 2HG GLN 29 -0.719 -3.916 9.281
202 HG3 GLN 29 1HG GLN 29 -0.060 -3.337 10.809
203 HE21 GLN 29 1HE2 GLN 29 -3.213 -4.461 9.622
204 HE22 GLN 29 2HE2 GLN 29 -3.496 -5.559 10.931
205 H SER 30 H SER 30 -2.320 -0.881 6.351
206 HA SER 30 HA SER 30 -4.252 -3.041 5.952
207 HG SER 30 HG SER 30 -4.623 -0.927 7.769
208 HB2 SER 30 2HB SER 30 -5.055 -0.188 5.397
209 HB3 SER 30 1HB SER 30 -6.085 -1.616 5.486
210 H CYS 31 H CYS 31 -2.002 -3.195 4.655
211 HA CYS 31 HA CYS 31 -2.445 -1.973 2.015
212 HB2 CYS 31 2HB CYS 31 0.081 -3.155 1.984
213 HB3 CYS 31 1HB CYS 31 -0.272 -1.439 2.164
214 H CYS 32 H CYS 32 -2.436 -3.248 0.163
215 HA CYS 32 HA CYS 32 -3.433 -5.887 0.475
216 HB2 CYS 32 2HB CYS 32 -2.374 -4.920 -2.145
217 HB3 CYS 32 1HB CYS 32 -3.837 -5.836 -1.797
218 H THR 33 H THR 33 -2.491 -7.845 -0.443
219 HA THR 33 HA THR 33 0.084 -8.363 0.520
220 HB THR 33 HB THR 33 -0.771 -10.210 -1.566
221 HG1 THR 33 1HG THR 33 -2.779 -10.657 -0.800
222 HG21 THR 33 3HG2 THR 33 -0.941 -10.994 1.260
223 HG22 THR 33 1HG2 THR 33 0.626 -10.346 0.772
224 HG23 THR 33 2HG2 THR 33 -0.055 -11.737 -0.072
225 H ASP 34 H ASP 34 -1.007 -7.289 -2.596
226 HA ASP 34 HA ASP 34 1.428 -8.045 -3.962
227 HB2 ASP 34 2HB ASP 34 -1.035 -6.537 -4.859
228 HB3 ASP 34 1HB ASP 34 0.328 -6.876 -5.914
229 H TYR 35 H TYR 35 1.173 -5.888 -1.749
230 HA TYR 35 HA TYR 35 1.744 -3.385 -2.940
231 HD1 TYR 35 2HD TYR 35 1.767 -1.152 -1.822
232 HD2 TYR 35 1HD TYR 35 3.882 -3.439 1.072
233 HE1 TYR 35 2HE TYR 35 3.037 0.849 -1.193
234 HE2 TYR 35 1HE TYR 35 5.158 -1.440 1.726
235 HH TYR 35 HH TYR 35 4.305 1.568 1.106
236 HB2 TYR 35 2HB TYR 35 0.897 -3.438 -0.693
237 HB3 TYR 35 1HB TYR 35 2.219 -4.467 -0.157
238 H THR 36 H THR 36 3.809 -5.834 -1.414
239 HA THR 36 HA THR 36 6.236 -4.438 -1.906
240 HB THR 36 HB THR 36 7.067 -6.968 -1.497
241 HG1 THR 36 1HG THR 36 5.523 -8.170 -0.539
242 HG21 THR 36 3HG2 THR 36 7.206 -4.789 -0.090
243 HG22 THR 36 1HG2 THR 36 7.373 -6.343 0.730
244 HG23 THR 36 2HG2 THR 36 5.837 -5.472 0.787
245 H ALA 37 H ALA 37 4.335 -6.730 -3.684
246 HA ALA 37 HA ALA 37 6.281 -7.542 -5.553
247 HB1 ALA 37 3HB ALA 37 4.151 -8.723 -5.192
248 HB2 ALA 37 1HB ALA 37 4.414 -8.323 -6.889
249 HB3 ALA 37 2HB ALA 37 3.290 -7.366 -5.920
250 H GLU 38 H GLU 38 3.765 -5.006 -5.738
251 HA GLU 38 HA GLU 38 4.840 -4.127 -8.291
252 HB2 GLU 38 2HB GLU 38 2.292 -3.920 -6.917
253 HB3 GLU 38 1HB GLU 38 2.798 -2.373 -7.584
254 HG2 GLU 38 2HG GLU 38 2.314 -4.954 -9.025
255 HG3 GLU 38 1HG GLU 38 1.511 -3.399 -9.250
256 H CYS 39 H CYS 39 4.230 -2.618 -5.083
257 HA CYS 39 HA CYS 39 5.245 -0.100 -5.980
258 HB2 CYS 39 2HB CYS 39 3.666 -0.857 -3.892
259 HB3 CYS 39 1HB CYS 39 5.198 -0.570 -3.074
260 H LYS 40 H LYS 40 6.518 -2.690 -3.939
261 HA LYS 40 HA LYS 40 8.616 -3.288 -3.327
262 HB2 LYS 40 2HB LYS 40 8.993 -2.005 -5.978
263 HB3 LYS 40 1HB LYS 40 10.431 -2.357 -5.035
264 HG2 LYS 40 2HG LYS 40 8.467 -4.541 -5.310
265 HG3 LYS 40 1HG LYS 40 9.353 -4.077 -6.764
266 HD2 LYS 40 2HD LYS 40 11.401 -4.659 -5.859
267 HD3 LYS 40 1HD LYS 40 10.822 -4.521 -4.199
268 HE2 LYS 40 2HE LYS 40 11.176 -6.869 -5.526
269 HE3 LYS 40 1HE LYS 40 10.095 -6.644 -4.151
270 HZ1 LYS 40 3HZ LYS 40 8.287 -6.203 -5.727
271 HZ2 LYS 40 1HZ LYS 40 8.947 -7.749 -5.939
272 HZ3 LYS 40 2HZ LYS 40 9.334 -6.498 -7.026
273 HA PRO 41 HA PRO 41 9.682 0.661 -1.229
274 HB2 PRO 41 2HB PRO 41 9.732 -0.877 1.212
275 HB3 PRO 41 1HB PRO 41 8.653 0.443 0.768
276 HG2 PRO 41 2HG PRO 41 7.871 -2.175 1.057
277 HG3 PRO 41 1HG PRO 41 7.009 -0.972 0.085
278 HD2 PRO 41 2HD PRO 41 8.851 -3.151 -0.779
279 HD3 PRO 41 1HD PRO 41 7.405 -2.506 -1.583
280 H GLN 42 H GLN 42 10.939 -2.509 -1.407
281 HA GLN 42 HA GLN 42 12.998 -3.422 -1.320
282 HB2 GLN 42 2HB GLN 42 13.471 -1.383 -2.783
283 HB3 GLN 42 1HB GLN 42 14.149 -0.638 -1.343
284 HG2 GLN 42 2HG GLN 42 16.068 -1.640 -1.730
285 HG3 GLN 42 1HG GLN 42 15.278 -3.208 -1.564
286 HE21 GLN 42 1HE2 GLN 42 17.461 -2.295 -3.312
287 HE22 GLN 42 2HE2 GLN 42 16.954 -2.672 -4.924
288 H VAL 43 H VAL 43 12.735 -4.240 0.752
289 HA VAL 43 HA VAL 43 13.534 -2.624 3.026
290 HB VAL 43 HB VAL 43 13.171 -5.082 4.096
291 HG11 VAL 43 1HG1 VAL 43 10.995 -4.296 4.777
292 HG12 VAL 43 2HG1 VAL 43 10.972 -3.126 3.458
293 HG13 VAL 43 3HG1 VAL 43 12.145 -2.955 4.767
294 HG21 VAL 43 3HG2 VAL 43 11.121 -4.966 1.894
295 HG22 VAL 43 1HG2 VAL 43 11.411 -6.267 3.054
296 HG23 VAL 43 2HG2 VAL 43 12.589 -5.938 1.784
297 H THR 44 H THR 44 15.153 -3.262 4.506
298 HA THR 44 HA THR 44 17.324 -4.831 3.267
299 HB THR 44 HB THR 44 17.789 -2.506 5.112
300 HG1 THR 44 1HG THR 44 16.962 -2.488 2.457
301 HG21 THR 44 3HG2 THR 44 19.595 -4.218 4.453
302 HG22 THR 44 1HG2 THR 44 19.985 -2.510 4.253
303 HG23 THR 44 2HG2 THR 44 19.523 -3.480 2.853
304 H ARG 45 H ARG 45 15.193 -4.599 5.800
305 HA ARG 45 HA ARG 45 14.870 -5.786 7.700
306 HE ARG 45 HE ARG 45 17.732 -9.170 6.878
307 HB2 ARG 45 2HB ARG 45 17.380 -7.293 6.948
308 HB3 ARG 45 1HB ARG 45 16.206 -7.780 8.162
309 HG2 ARG 45 2HG ARG 45 14.877 -8.713 6.643
310 HG3 ARG 45 1HG ARG 45 14.985 -7.314 5.571
311 HD2 ARG 45 2HD ARG 45 15.891 -9.540 4.699
312 HD3 ARG 45 1HD ARG 45 16.920 -8.118 4.526
313 HH11 ARG 45 1HH1 ARG 45 17.356 -10.498 3.664
314 HH12 ARG 45 2HH1 ARG 45 18.578 -11.714 3.880
315 HH21 ARG 45 1HH2 ARG 45 19.351 -10.722 7.161
316 HH22 ARG 45 2HH2 ARG 45 19.736 -11.827 5.875
317 H GLY 46 H GLY 46 16.976 -3.514 7.347
318 HA2 GLY 46 2HA GLY 46 18.013 -2.161 8.910
319 HA3 GLY 46 1HA GLY 46 17.627 -3.355 10.142
320 H ASP 47 H ASP 47 19.397 -4.068 11.091
321 HA ASP 47 HA ASP 47 21.755 -4.639 9.417
322 HB2 ASP 47 2HB ASP 47 22.290 -2.659 10.672
323 HB3 ASP 47 1HB ASP 47 21.659 -3.362 12.157
Start of MODEL 13
1 HA ASP 1 HA ASP 1 -11.200 -11.524 -10.150
2 H1 ASP 1 1HT ASP 1 -13.851 -11.559 -10.102
3 H2 ASP 1 2HT ASP 1 -13.526 -11.537 -8.441
4 H3 ASP 1 3HT ASP 1 -12.876 -12.763 -9.413
5 HB2 ASP 1 2HB ASP 1 -11.364 -9.266 -10.853
6 HB3 ASP 1 1HB ASP 1 -12.914 -9.989 -11.272
7 H GLN 2 H GLN 2 -9.611 -9.963 -9.176
8 HA GLN 2 HA GLN 2 -10.204 -9.405 -6.354
9 HB2 GLN 2 2HB GLN 2 -7.682 -9.989 -5.984
10 HB3 GLN 2 1HB GLN 2 -8.889 -11.266 -6.005
11 HG2 GLN 2 2HG GLN 2 -7.747 -12.290 -7.591
12 HG3 GLN 2 1HG GLN 2 -8.016 -10.915 -8.662
13 HE21 GLN 2 1HE2 GLN 2 -6.026 -11.524 -5.777
14 HE22 GLN 2 2HE2 GLN 2 -4.545 -10.952 -6.477
15 H GLU 3 H GLU 3 -9.577 -7.471 -5.663
16 HA GLU 3 HA GLU 3 -8.647 -5.581 -7.613
17 HB2 GLU 3 2HB GLU 3 -8.800 -4.593 -4.874
18 HB3 GLU 3 1HB GLU 3 -9.656 -4.050 -6.311
19 HG2 GLU 3 2HG GLU 3 -11.044 -6.245 -5.914
20 HG3 GLU 3 1HG GLU 3 -10.454 -6.057 -4.265
21 H SER 4 H SER 4 -6.535 -6.251 -8.030
22 HA SER 4 HA SER 4 -4.560 -6.356 -5.956
23 HG SER 4 HG SER 4 -5.229 -8.236 -8.132
24 HB2 SER 4 2HB SER 4 -4.320 -6.337 -8.974
25 HB3 SER 4 1HB SER 4 -2.959 -6.545 -7.871
26 H CYS 5 H CYS 5 -2.907 -4.875 -5.593
27 HA CYS 5 HA CYS 5 -3.693 -2.129 -6.039
28 HB2 CYS 5 2HB CYS 5 -2.848 -2.900 -3.837
29 HB3 CYS 5 1HB CYS 5 -1.291 -3.245 -4.578
30 H LYS 6 H LYS 6 -2.480 -0.578 -7.112
31 HA LYS 6 HA LYS 6 0.108 -1.156 -8.158
32 HB2 LYS 6 2HB LYS 6 -0.792 -0.443 -10.551
33 HB3 LYS 6 1HB LYS 6 -0.724 -2.125 -10.053
34 HG2 LYS 6 2HG LYS 6 -3.144 -1.831 -9.308
35 HG3 LYS 6 1HG LYS 6 -3.117 -0.326 -10.230
36 HD2 LYS 6 2HD LYS 6 -2.534 -1.536 -12.247
37 HD3 LYS 6 1HD LYS 6 -2.443 -3.048 -11.341
38 HE2 LYS 6 2HE LYS 6 -4.686 -3.286 -11.257
39 HE3 LYS 6 1HE LYS 6 -4.971 -1.556 -11.103
40 HZ1 LYS 6 3HZ LYS 6 -4.172 -2.882 -13.635
41 HZ2 LYS 6 1HZ LYS 6 -4.664 -1.268 -13.435
42 HZ3 LYS 6 2HZ LYS 6 -5.776 -2.534 -13.212
43 H GLY 7 H GLY 7 -2.661 0.990 -8.897
44 HA2 GLY 7 2HA GLY 7 -0.786 3.226 -9.042
45 HA3 GLY 7 1HA GLY 7 -2.445 3.219 -9.611
46 H ARG 8 H ARG 8 -1.507 2.149 -6.381
47 HA ARG 8 HA ARG 8 -2.963 4.462 -5.307
48 HE ARG 8 HE ARG 8 -5.235 4.163 -4.183
49 HB2 ARG 8 2HB ARG 8 -1.943 2.191 -3.618
50 HB3 ARG 8 1HB ARG 8 -3.294 3.276 -3.309
51 HG2 ARG 8 2HG ARG 8 -3.585 1.628 -5.712
52 HG3 ARG 8 1HG ARG 8 -3.520 0.725 -4.196
53 HD2 ARG 8 2HD ARG 8 -5.826 1.374 -4.895
54 HD3 ARG 8 1HD ARG 8 -5.366 1.979 -3.304
55 HH11 ARG 8 1HH1 ARG 8 -6.314 1.814 -6.558
56 HH12 ARG 8 2HH1 ARG 8 -6.846 3.016 -7.689
57 HH21 ARG 8 1HH2 ARG 8 -5.900 5.747 -5.696
58 HH22 ARG 8 2HH2 ARG 8 -6.593 5.236 -7.211
59 H CYS 9 H CYS 9 0.190 2.991 -5.431
60 HA CYS 9 HA CYS 9 1.341 4.374 -3.236
61 HB2 CYS 9 2HB CYS 9 2.257 2.566 -5.359
62 HB3 CYS 9 1HB CYS 9 3.468 3.738 -4.856
63 H THR 10 H THR 10 0.651 5.280 -6.471
64 HA THR 10 HA THR 10 2.704 7.272 -6.716
65 HB THR 10 HB THR 10 1.029 7.951 -8.674
66 HG1 THR 10 1HG THR 10 -0.522 6.539 -8.970
67 HG21 THR 10 3HG2 THR 10 2.160 6.312 -10.100
68 HG22 THR 10 1HG2 THR 10 2.674 5.417 -8.670
69 HG23 THR 10 2HG2 THR 10 3.293 7.043 -8.964
70 H GLU 11 H GLU 11 -0.562 7.140 -5.555
71 HA GLU 11 HA GLU 11 -0.744 10.057 -5.433
72 HB2 GLU 11 2HB GLU 11 -3.025 8.721 -4.302
73 HB3 GLU 11 1HB GLU 11 -2.948 9.771 -5.710
74 HG2 GLU 11 2HG GLU 11 -2.242 7.783 -7.047
75 HG3 GLU 11 1HG GLU 11 -2.561 6.792 -5.624
76 H GLY 12 H GLY 12 -1.088 7.193 -3.363
77 HA2 GLY 12 2HA GLY 12 0.307 7.513 -1.238
78 HA3 GLY 12 1HA GLY 12 -0.724 8.921 -1.014
79 H PHE 13 H PHE 13 -1.442 7.969 0.972
80 HA PHE 13 HA PHE 13 -2.900 5.481 0.814
81 HD1 PHE 13 1HD PHE 13 -5.075 5.889 3.553
82 HD2 PHE 13 2HD PHE 13 -1.184 4.183 3.340
83 HE1 PHE 13 1HE PHE 13 -5.923 3.850 4.625
84 HE2 PHE 13 2HE PHE 13 -2.014 2.138 4.416
85 HZ PHE 13 HZ PHE 13 -4.388 1.962 5.056
86 HB2 PHE 13 2HB PHE 13 -1.493 6.438 2.816
87 HB3 PHE 13 1HB PHE 13 -2.999 7.265 3.210
88 H ASN 14 H ASN 14 -4.773 5.582 -0.212
89 HA ASN 14 HA ASN 14 -6.626 7.767 0.274
90 HB2 ASN 14 2HB ASN 14 -8.106 6.074 -1.178
91 HB3 ASN 14 1HB ASN 14 -6.951 7.181 -1.916
92 HD21 ASN 14 1HD2 ASN 14 -7.182 3.901 -0.582
93 HD22 ASN 14 2HD2 ASN 14 -6.115 3.180 -1.737
94 H VAL 15 H VAL 15 -7.254 7.585 2.388
95 HA VAL 15 HA VAL 15 -7.939 5.027 3.529
96 HB VAL 15 HB VAL 15 -8.839 7.326 5.071
97 HG11 VAL 15 1HG1 VAL 15 -8.427 5.827 6.643
98 HG12 VAL 15 2HG1 VAL 15 -6.701 5.973 6.312
99 HG13 VAL 15 3HG1 VAL 15 -7.663 4.765 5.459
100 HG21 VAL 15 3HG2 VAL 15 -7.179 8.710 4.304
101 HG22 VAL 15 1HG2 VAL 15 -6.100 7.374 3.910
102 HG23 VAL 15 2HG2 VAL 15 -6.307 7.872 5.588
103 H ASP 16 H ASP 16 -9.478 5.747 1.257
104 HA ASP 16 HA ASP 16 -12.141 5.634 2.468
105 HB2 ASP 16 2HB ASP 16 -13.050 7.266 1.134
106 HB3 ASP 16 1HB ASP 16 -11.411 7.894 1.251
107 H LYS 17 H LYS 17 -9.883 4.025 0.864
108 HA LYS 17 HA LYS 17 -11.757 2.676 -0.958
109 HB2 LYS 17 2HB LYS 17 -8.751 2.975 -1.037
110 HB3 LYS 17 1HB LYS 17 -9.582 1.745 -1.978
111 HG2 LYS 17 2HG LYS 17 -10.141 4.696 -2.169
112 HG3 LYS 17 1HG LYS 17 -9.066 3.806 -3.248
113 HD2 LYS 17 2HD LYS 17 -10.809 3.227 -4.503
114 HD3 LYS 17 1HD LYS 17 -11.526 2.403 -3.118
115 HE2 LYS 17 2HE LYS 17 -12.933 4.204 -4.227
116 HE3 LYS 17 1HE LYS 17 -12.744 4.304 -2.477
117 HZ1 LYS 17 3HZ LYS 17 -12.360 6.362 -4.100
118 HZ2 LYS 17 1HZ LYS 17 -10.782 5.749 -4.068
119 HZ3 LYS 17 2HZ LYS 17 -11.545 6.197 -2.619
120 H LYS 18 H LYS 18 -10.453 0.320 -1.322
121 HA LYS 18 HA LYS 18 -10.901 -0.975 1.257
122 HB2 LYS 18 2HB LYS 18 -10.605 -3.038 -0.494
123 HB3 LYS 18 1HB LYS 18 -12.140 -2.285 -0.097
124 HG2 LYS 18 2HG LYS 18 -10.542 -1.155 -2.343
125 HG3 LYS 18 1HG LYS 18 -11.406 -2.675 -2.586
126 HD2 LYS 18 2HD LYS 18 -13.488 -1.564 -1.826
127 HD3 LYS 18 1HD LYS 18 -12.599 -0.042 -1.715
128 HE2 LYS 18 2HE LYS 18 -13.530 0.156 -3.806
129 HE3 LYS 18 1HE LYS 18 -11.979 -0.583 -4.206
130 HZ1 LYS 18 3HZ LYS 18 -14.289 -1.526 -5.077
131 HZ2 LYS 18 1HZ LYS 18 -14.174 -2.409 -3.632
132 HZ3 LYS 18 2HZ LYS 18 -12.942 -2.519 -4.796
133 H CYS 19 H CYS 19 -8.689 -1.512 -1.491
134 HA CYS 19 HA CYS 19 -6.635 -2.362 0.408
135 HB2 CYS 19 2HB CYS 19 -7.402 -3.421 -2.005
136 HB3 CYS 19 1HB CYS 19 -5.994 -2.464 -2.459
137 H GLN 20 H GLN 20 -4.689 -1.305 0.623
138 HA GLN 20 HA GLN 20 -4.471 1.284 -0.761
139 HB2 GLN 20 2HB GLN 20 -4.531 0.665 2.144
140 HB3 GLN 20 1HB GLN 20 -3.406 1.902 1.609
141 HG2 GLN 20 2HG GLN 20 -5.295 3.097 2.184
142 HG3 GLN 20 1HG GLN 20 -5.422 2.949 0.430
143 HE21 GLN 20 1HE2 GLN 20 -6.308 1.023 3.281
144 HE22 GLN 20 2HE2 GLN 20 -7.906 0.654 2.739
145 H CYS 21 H CYS 21 -2.418 1.937 -1.301
146 HA CYS 21 HA CYS 21 -0.182 0.517 -0.038
147 HB2 CYS 21 2HB CYS 21 -0.371 1.228 -2.979
148 HB3 CYS 21 1HB CYS 21 1.054 0.576 -2.181
149 H ASP 22 H ASP 22 0.844 1.982 1.086
150 HA ASP 22 HA ASP 22 1.876 4.347 -0.192
151 HB2 ASP 22 2HB ASP 22 -0.336 5.070 0.762
152 HB3 ASP 22 1HB ASP 22 0.266 4.636 2.356
153 H GLU 23 H GLU 23 3.344 5.521 1.542
154 HA GLU 23 HA GLU 23 4.956 3.628 2.930
155 HB2 GLU 23 2HB GLU 23 6.238 5.452 3.662
156 HB3 GLU 23 1HB GLU 23 5.628 5.960 2.094
157 HG2 GLU 23 2HG GLU 23 4.371 7.611 2.964
158 HG3 GLU 23 1HG GLU 23 3.977 6.699 4.421
159 H LEU 24 H LEU 24 2.048 5.326 3.644
160 HA LEU 24 HA LEU 24 2.172 5.003 6.504
161 HG LEU 24 HG LEU 24 1.826 7.519 5.615
162 HB2 LEU 24 2HB LEU 24 0.110 5.961 4.563
163 HB3 LEU 24 1HB LEU 24 -0.371 5.556 6.200
164 HD11 LEU 24 1HD1 LEU 24 -0.150 8.345 4.505
165 HD12 LEU 24 2HD1 LEU 24 0.139 9.285 5.971
166 HD13 LEU 24 3HD1 LEU 24 -1.120 8.050 5.949
167 HD21 LEU 24 3HD2 LEU 24 0.567 6.428 7.997
168 HD22 LEU 24 1HD2 LEU 24 0.524 8.190 7.960
169 HD23 LEU 24 2HD2 LEU 24 2.066 7.343 7.831
170 H CYS 25 H CYS 25 2.089 2.700 4.359
171 HA CYS 25 HA CYS 25 -0.252 1.224 4.828
172 HB2 CYS 25 2HB CYS 25 0.735 0.192 3.095
173 HB3 CYS 25 1HB CYS 25 2.327 0.788 3.540
174 H SER 26 H SER 26 2.830 1.337 6.521
175 HA SER 26 HA SER 26 2.347 -0.824 8.278
176 HG SER 26 HG SER 26 4.972 2.049 7.813
177 HB2 SER 26 2HB SER 26 4.058 1.132 9.469
178 HB3 SER 26 1HB SER 26 4.504 -0.400 8.711
179 H TYR 27 H TYR 27 1.337 2.480 8.255
180 HA TYR 27 HA TYR 27 0.841 2.681 11.072
181 HD1 TYR 27 2HD TYR 27 0.411 4.758 12.454
182 HD2 TYR 27 1HD TYR 27 -1.673 5.805 8.891
183 HE1 TYR 27 2HE TYR 27 -1.115 6.178 13.766
184 HE2 TYR 27 1HE TYR 27 -3.191 7.229 10.190
185 HH TYR 27 HH TYR 27 -3.672 8.090 12.178
186 HB2 TYR 27 2HB TYR 27 1.422 4.688 9.919
187 HB3 TYR 27 1HB TYR 27 0.161 4.442 8.718
188 H TYR 28 H TYR 28 -1.269 2.484 8.183
189 HA TYR 28 HA TYR 28 -3.595 2.155 9.904
190 HD1 TYR 28 2HD TYR 28 -5.591 3.628 9.559
191 HD2 TYR 28 1HD TYR 28 -2.821 4.619 6.486
192 HE1 TYR 28 2HE TYR 28 -6.127 6.010 9.853
193 HE2 TYR 28 1HE TYR 28 -3.347 7.002 6.775
194 HH TYR 28 HH TYR 28 -5.155 8.188 9.434
195 HB2 TYR 28 2HB TYR 28 -3.234 2.401 6.925
196 HB3 TYR 28 1HB TYR 28 -4.782 1.969 7.637
197 H GLN 29 H GLN 29 -1.338 0.181 8.320
198 HA GLN 29 HA GLN 29 -1.186 -2.023 7.823
199 HB2 GLN 29 2HB GLN 29 -2.987 -1.997 10.217
200 HB3 GLN 29 1HB GLN 29 -2.615 -3.513 9.411
201 HG2 GLN 29 2HG GLN 29 -0.634 -1.603 10.635
202 HG3 GLN 29 1HG GLN 29 -1.124 -3.173 11.273
203 HE21 GLN 29 1HE2 GLN 29 1.455 -1.891 10.170
204 HE22 GLN 29 2HE2 GLN 29 2.074 -3.116 9.118
205 H SER 30 H SER 30 -2.570 -0.927 5.935
206 HA SER 30 HA SER 30 -4.762 -2.805 5.403
207 HG SER 30 HG SER 30 -5.128 -0.630 7.045
208 HB2 SER 30 2HB SER 30 -5.061 -0.072 4.291
209 HB3 SER 30 1HB SER 30 -6.287 -1.172 4.925
210 H CYS 31 H CYS 31 -2.110 -3.078 4.541
211 HA CYS 31 HA CYS 31 -2.076 -2.127 1.772
212 HB2 CYS 31 2HB CYS 31 0.290 -3.569 2.387
213 HB3 CYS 31 1HB CYS 31 0.105 -1.832 2.167
214 H CYS 32 H CYS 32 -1.832 -3.506 0.026
215 HA CYS 32 HA CYS 32 -2.971 -6.120 0.323
216 HB2 CYS 32 2HB CYS 32 -1.708 -5.189 -2.224
217 HB3 CYS 32 1HB CYS 32 -3.180 -6.123 -1.980
218 H THR 33 H THR 33 -1.942 -8.047 -0.734
219 HA THR 33 HA THR 33 0.505 -8.601 0.551
220 HB THR 33 HB THR 33 -0.264 -10.376 -1.671
221 HG1 THR 33 1HG THR 33 -2.019 -10.232 0.559
222 HG21 THR 33 3HG2 THR 33 0.052 -12.082 -0.040
223 HG22 THR 33 1HG2 THR 33 -0.063 -10.927 1.289
224 HG23 THR 33 2HG2 THR 33 1.336 -10.900 0.213
225 H ASP 34 H ASP 34 -0.286 -7.811 -2.821
226 HA ASP 34 HA ASP 34 2.513 -8.186 -3.569
227 HB2 ASP 34 2HB ASP 34 0.185 -8.628 -4.961
228 HB3 ASP 34 1HB ASP 34 0.728 -7.088 -5.623
229 H TYR 35 H TYR 35 1.864 -6.102 -1.732
230 HA TYR 35 HA TYR 35 1.830 -3.577 -3.069
231 HD1 TYR 35 2HD TYR 35 1.801 -1.176 -1.906
232 HD2 TYR 35 1HD TYR 35 3.909 -3.417 1.024
233 HE1 TYR 35 2HE TYR 35 2.964 0.867 -1.205
234 HE2 TYR 35 1HE TYR 35 5.085 -1.381 1.745
235 HH TYR 35 HH TYR 35 4.148 1.573 1.211
236 HB2 TYR 35 2HB TYR 35 0.990 -3.496 -0.875
237 HB3 TYR 35 1HB TYR 35 2.301 -4.479 -0.238
238 H THR 36 H THR 36 4.270 -5.640 -1.621
239 HA THR 36 HA THR 36 6.453 -3.883 -1.910
240 HB THR 36 HB THR 36 7.516 -6.435 -1.987
241 HG1 THR 36 1HG THR 36 5.542 -7.465 -1.755
242 HG21 THR 36 3HG2 THR 36 7.818 -4.362 -0.436
243 HG22 THR 36 1HG2 THR 36 8.175 -5.974 0.188
244 HG23 THR 36 2HG2 THR 36 6.645 -5.190 0.588
245 H ALA 37 H ALA 37 4.938 -6.177 -4.046
246 HA ALA 37 HA ALA 37 6.989 -6.247 -6.005
247 HB1 ALA 37 3HB ALA 37 5.658 -7.976 -6.486
248 HB2 ALA 37 1HB ALA 37 4.700 -6.795 -7.382
249 HB3 ALA 37 2HB ALA 37 4.253 -7.221 -5.728
250 H GLU 38 H GLU 38 3.886 -4.504 -5.871
251 HA GLU 38 HA GLU 38 4.311 -3.147 -8.315
252 HB2 GLU 38 2HB GLU 38 2.377 -2.761 -6.047
253 HB3 GLU 38 1HB GLU 38 2.400 -1.680 -7.433
254 HG2 GLU 38 2HG GLU 38 1.762 -4.603 -7.355
255 HG3 GLU 38 1HG GLU 38 0.732 -3.267 -7.863
256 H CYS 39 H CYS 39 4.469 -1.991 -4.942
257 HA CYS 39 HA CYS 39 5.348 0.614 -5.738
258 HB2 CYS 39 2HB CYS 39 4.207 -0.355 -3.482
259 HB3 CYS 39 1HB CYS 39 5.887 -0.288 -2.969
260 H LYS 40 H LYS 40 6.926 -2.199 -4.272
261 HA LYS 40 HA LYS 40 9.106 -2.699 -3.839
262 HB2 LYS 40 2HB LYS 40 8.759 -2.985 -6.362
263 HB3 LYS 40 1HB LYS 40 9.668 -1.492 -6.538
264 HG2 LYS 40 2HG LYS 40 11.212 -3.236 -6.854
265 HG3 LYS 40 1HG LYS 40 11.520 -2.609 -5.234
266 HD2 LYS 40 2HD LYS 40 11.562 -4.925 -4.945
267 HD3 LYS 40 1HD LYS 40 9.934 -4.475 -4.440
268 HE2 LYS 40 2HE LYS 40 9.225 -6.055 -5.851
269 HE3 LYS 40 1HE LYS 40 9.638 -4.923 -7.138
270 HZ1 LYS 40 3HZ LYS 40 11.645 -5.990 -7.542
271 HZ2 LYS 40 1HZ LYS 40 10.577 -7.277 -7.254
272 HZ3 LYS 40 2HZ LYS 40 11.653 -6.781 -6.041
273 HA PRO 41 HA PRO 41 10.579 1.626 -2.935
274 HB2 PRO 41 2HB PRO 41 10.054 1.751 -0.292
275 HB3 PRO 41 1HB PRO 41 8.857 2.196 -1.513
276 HG2 PRO 41 2HG PRO 41 9.055 -0.276 0.135
277 HG3 PRO 41 1HG PRO 41 7.616 0.579 -0.442
278 HD2 PRO 41 2HD PRO 41 8.714 -1.723 -1.580
279 HD3 PRO 41 1HD PRO 41 7.559 -0.629 -2.363
280 H GLN 42 H GLN 42 10.732 -1.249 -0.893
281 HA GLN 42 HA GLN 42 13.575 -1.388 -0.968
282 HB2 GLN 42 2HB GLN 42 12.386 0.165 1.118
283 HB3 GLN 42 1HB GLN 42 12.979 -1.327 1.833
284 HG2 GLN 42 2HG GLN 42 15.171 -0.852 1.349
285 HG3 GLN 42 1HG GLN 42 14.759 0.222 0.012
286 HE21 GLN 42 1HE2 GLN 42 15.194 2.264 0.424
287 HE22 GLN 42 2HE2 GLN 42 15.101 3.040 1.970
288 H VAL 43 H VAL 43 14.181 -3.484 -0.565
289 HA VAL 43 HA VAL 43 12.077 -5.393 -0.033
290 HB VAL 43 HB VAL 43 15.046 -5.870 -0.371
291 HG11 VAL 43 1HG1 VAL 43 14.691 -8.065 -0.118
292 HG12 VAL 43 2HG1 VAL 43 13.197 -8.025 -1.054
293 HG13 VAL 43 3HG1 VAL 43 13.180 -7.595 0.657
294 HG21 VAL 43 3HG2 VAL 43 13.052 -6.524 -2.476
295 HG22 VAL 43 1HG2 VAL 43 14.754 -6.083 -2.627
296 HG23 VAL 43 2HG2 VAL 43 13.547 -4.843 -2.284
297 H THR 44 H THR 44 11.423 -5.804 1.960
298 HA THR 44 HA THR 44 12.898 -4.985 4.261
299 HB THR 44 HB THR 44 10.753 -6.641 5.049
300 HG1 THR 44 1HG THR 44 9.533 -6.620 3.299
301 HG21 THR 44 3HG2 THR 44 11.570 -3.867 5.180
302 HG22 THR 44 1HG2 THR 44 10.642 -4.817 6.340
303 HG23 THR 44 2HG2 THR 44 9.822 -4.009 5.003
304 H ARG 45 H ARG 45 14.374 -6.937 2.846
305 HA ARG 45 HA ARG 45 14.830 -8.867 4.926
306 HE ARG 45 HE ARG 45 11.529 -12.351 4.938
307 HB2 ARG 45 2HB ARG 45 13.013 -9.620 2.969
308 HB3 ARG 45 1HB ARG 45 14.529 -10.296 2.390
309 HG2 ARG 45 2HG ARG 45 13.484 -11.967 3.680
310 HG3 ARG 45 1HG ARG 45 14.819 -11.340 4.650
311 HD2 ARG 45 2HD ARG 45 13.284 -11.179 6.276
312 HD3 ARG 45 1HD ARG 45 12.775 -9.721 5.428
313 HH11 ARG 45 1HH1 ARG 45 11.300 -8.913 5.592
314 HH12 ARG 45 2HH1 ARG 45 9.563 -8.887 5.503
315 HH21 ARG 45 1HH2 ARG 45 9.240 -12.306 4.804
316 HH22 ARG 45 2HH2 ARG 45 8.399 -10.800 5.050
317 H GLY 46 H GLY 46 16.823 -10.034 4.581
318 HA2 GLY 46 2HA GLY 46 18.476 -8.910 2.414
319 HA3 GLY 46 1HA GLY 46 19.066 -8.976 4.069
320 H ASP 47 H ASP 47 20.814 -10.271 3.465
321 HA ASP 47 HA ASP 47 20.160 -12.967 2.496
322 HB2 ASP 47 2HB ASP 47 21.857 -11.892 1.160
323 HB3 ASP 47 1HB ASP 47 22.774 -11.445 2.594
Start of MODEL 14
1 HA ASP 1 HA ASP 1 -11.561 -0.062 -7.995
2 H1 ASP 1 1HT ASP 1 -11.785 0.556 -10.371
3 H2 ASP 1 2HT ASP 1 -11.844 -1.098 -10.744
4 H3 ASP 1 3HT ASP 1 -10.462 -0.441 -10.005
5 HB2 ASP 1 2HB ASP 1 -13.740 0.538 -9.324
6 HB3 ASP 1 1HB ASP 1 -14.137 -1.159 -9.063
7 H GLN 2 H GLN 2 -9.919 -1.838 -8.160
8 HA GLN 2 HA GLN 2 -11.226 -4.396 -7.530
9 HB2 GLN 2 2HB GLN 2 -9.682 -3.977 -9.773
10 HB3 GLN 2 1HB GLN 2 -8.513 -4.617 -8.626
11 HG2 GLN 2 2HG GLN 2 -11.129 -6.001 -9.026
12 HG3 GLN 2 1HG GLN 2 -9.813 -6.226 -10.178
13 HE21 GLN 2 1HE2 GLN 2 -7.803 -7.066 -9.374
14 HE22 GLN 2 2HE2 GLN 2 -7.792 -8.096 -7.978
15 H GLU 3 H GLU 3 -10.186 -5.651 -5.945
16 HA GLU 3 HA GLU 3 -8.723 -4.129 -3.992
17 HB2 GLU 3 2HB GLU 3 -9.852 -6.898 -4.131
18 HB3 GLU 3 1HB GLU 3 -8.664 -6.515 -2.892
19 HG2 GLU 3 2HG GLU 3 -10.518 -5.993 -1.718
20 HG3 GLU 3 1HG GLU 3 -10.311 -4.448 -2.540
21 H SER 4 H SER 4 -6.986 -3.728 -5.604
22 HA SER 4 HA SER 4 -4.799 -5.554 -5.068
23 HG SER 4 HG SER 4 -6.963 -5.993 -7.656
24 HB2 SER 4 2HB SER 4 -4.362 -4.949 -7.738
25 HB3 SER 4 1HB SER 4 -4.933 -6.497 -7.114
26 H CYS 5 H CYS 5 -2.708 -4.559 -5.604
27 HA CYS 5 HA CYS 5 -2.873 -1.625 -5.611
28 HB2 CYS 5 2HB CYS 5 -0.955 -3.526 -4.288
29 HB3 CYS 5 1HB CYS 5 -0.479 -1.866 -4.626
30 H LYS 6 H LYS 6 -2.162 -0.645 -7.377
31 HA LYS 6 HA LYS 6 0.005 -1.807 -8.921
32 HB2 LYS 6 2HB LYS 6 -1.186 -1.769 -11.018
33 HB3 LYS 6 1HB LYS 6 -2.062 -2.776 -9.876
34 HG2 LYS 6 2HG LYS 6 -3.851 -1.399 -9.824
35 HG3 LYS 6 1HG LYS 6 -2.878 0.058 -10.037
36 HD2 LYS 6 2HD LYS 6 -3.469 -1.962 -12.194
37 HD3 LYS 6 1HD LYS 6 -4.319 -0.430 -11.985
38 HE2 LYS 6 2HE LYS 6 -1.438 -0.088 -12.054
39 HE3 LYS 6 1HE LYS 6 -2.044 -0.876 -13.508
40 HZ1 LYS 6 3HZ LYS 6 -3.608 1.395 -12.667
41 HZ2 LYS 6 1HZ LYS 6 -3.015 0.989 -14.205
42 HZ3 LYS 6 2HZ LYS 6 -2.011 1.782 -13.091
43 H GLY 7 H GLY 7 -0.386 0.554 -7.246
44 HA2 GLY 7 2HA GLY 7 1.108 2.471 -8.177
45 HA3 GLY 7 1HA GLY 7 -0.280 2.733 -9.221
46 H ARG 8 H ARG 8 -0.715 1.673 -5.922
47 HA ARG 8 HA ARG 8 -2.188 4.104 -5.373
48 HE ARG 8 HE ARG 8 -5.156 -0.617 -5.336
49 HB2 ARG 8 2HB ARG 8 -1.679 2.099 -3.226
50 HB3 ARG 8 1HB ARG 8 -3.142 3.006 -3.588
51 HG2 ARG 8 2HG ARG 8 -3.104 1.485 -5.752
52 HG3 ARG 8 1HG ARG 8 -2.186 0.424 -4.680
53 HD2 ARG 8 2HD ARG 8 -3.984 -0.052 -3.411
54 HD3 ARG 8 1HD ARG 8 -4.617 1.591 -3.508
55 HH11 ARG 8 1HH1 ARG 8 -5.524 2.775 -4.570
56 HH12 ARG 8 2HH1 ARG 8 -6.838 3.030 -5.676
57 HH21 ARG 8 1HH2 ARG 8 -6.911 -0.319 -6.769
58 HH22 ARG 8 2HH2 ARG 8 -7.627 1.250 -6.942
59 H CYS 9 H CYS 9 0.919 2.712 -4.693
60 HA CYS 9 HA CYS 9 1.586 4.336 -2.448
61 HB2 CYS 9 2HB CYS 9 2.696 2.146 -3.594
62 HB3 CYS 9 1HB CYS 9 3.753 3.398 -4.235
63 H THR 10 H THR 10 1.340 4.908 -5.786
64 HA THR 10 HA THR 10 3.103 7.244 -5.624
65 HB THR 10 HB THR 10 2.679 7.085 -8.242
66 HG1 THR 10 1HG THR 10 2.773 4.336 -7.809
67 HG21 THR 10 3HG2 THR 10 4.743 5.854 -8.415
68 HG22 THR 10 1HG2 THR 10 4.517 5.169 -6.806
69 HG23 THR 10 2HG2 THR 10 4.836 6.895 -6.995
70 H GLU 11 H GLU 11 -0.150 6.342 -5.658
71 HA GLU 11 HA GLU 11 -0.985 8.968 -6.671
72 HB2 GLU 11 2HB GLU 11 -2.833 8.006 -7.522
73 HB3 GLU 11 1HB GLU 11 -1.952 6.501 -7.320
74 HG2 GLU 11 2HG GLU 11 -3.363 5.758 -5.761
75 HG3 GLU 11 1HG GLU 11 -3.406 7.310 -4.925
76 H GLY 12 H GLY 12 -0.601 7.141 -3.832
77 HA2 GLY 12 2HA GLY 12 -0.562 8.434 -1.761
78 HA3 GLY 12 1HA GLY 12 -2.030 9.230 -2.312
79 H PHE 13 H PHE 13 -1.388 7.613 0.127
80 HA PHE 13 HA PHE 13 -2.662 5.152 0.111
81 HD1 PHE 13 2HD PHE 13 -4.883 5.513 2.885
82 HD2 PHE 13 1HD PHE 13 -0.847 4.173 2.826
83 HE1 PHE 13 2HE PHE 13 -5.530 3.534 4.187
84 HE2 PHE 13 1HE PHE 13 -1.485 2.186 4.126
85 HZ PHE 13 HZ PHE 13 -3.829 1.864 4.810
86 HB2 PHE 13 2HB PHE 13 -1.361 6.296 2.015
87 HB3 PHE 13 1HB PHE 13 -2.887 7.063 2.431
88 H ASN 14 H ASN 14 -4.570 4.814 -0.769
89 HA ASN 14 HA ASN 14 -6.712 6.732 -0.578
90 HB2 ASN 14 2HB ASN 14 -7.955 4.711 -1.721
91 HB3 ASN 14 1HB ASN 14 -6.818 5.700 -2.631
92 HD21 ASN 14 1HD2 ASN 14 -7.035 2.706 -0.736
93 HD22 ASN 14 2HD2 ASN 14 -5.853 1.841 -1.662
94 H VAL 15 H VAL 15 -6.984 6.744 1.713
95 HA VAL 15 HA VAL 15 -7.600 4.371 3.164
96 HB VAL 15 HB VAL 15 -8.708 6.753 4.386
97 HG11 VAL 15 1HG1 VAL 15 -6.499 5.917 5.840
98 HG12 VAL 15 2HG1 VAL 15 -7.099 4.452 5.059
99 HG13 VAL 15 3HG1 VAL 15 -8.172 5.415 6.075
100 HG21 VAL 15 3HG2 VAL 15 -5.925 6.933 3.301
101 HG22 VAL 15 1HG2 VAL 15 -6.363 7.747 4.800
102 HG23 VAL 15 2HG2 VAL 15 -7.201 8.151 3.303
103 H ASP 16 H ASP 16 -9.277 5.887 0.831
104 HA ASP 16 HA ASP 16 -11.918 5.450 1.991
105 HB2 ASP 16 2HB ASP 16 -12.643 7.125 0.673
106 HB3 ASP 16 1HB ASP 16 -10.942 7.475 0.405
107 H LYS 17 H LYS 17 -9.657 3.761 0.228
108 HA LYS 17 HA LYS 17 -11.624 2.383 -1.444
109 HB2 LYS 17 2HB LYS 17 -8.674 2.719 -1.525
110 HB3 LYS 17 1HB LYS 17 -9.316 1.203 -2.139
111 HG2 LYS 17 2HG LYS 17 -9.957 3.978 -3.097
112 HG3 LYS 17 1HG LYS 17 -9.078 2.717 -3.964
113 HD2 LYS 17 2HD LYS 17 -11.044 2.190 -4.894
114 HD3 LYS 17 1HD LYS 17 -11.478 1.504 -3.328
115 HE2 LYS 17 2HE LYS 17 -13.137 3.129 -4.323
116 HE3 LYS 17 1HE LYS 17 -12.615 3.471 -2.674
117 HZ1 LYS 17 3HZ LYS 17 -11.558 5.348 -3.296
118 HZ2 LYS 17 1HZ LYS 17 -12.646 5.298 -4.598
119 HZ3 LYS 17 2HZ LYS 17 -11.067 4.722 -4.796
120 H LYS 18 H LYS 18 -10.781 -0.080 -1.727
121 HA LYS 18 HA LYS 18 -11.364 -1.307 0.817
122 HB2 LYS 18 2HB LYS 18 -10.826 -2.543 -1.889
123 HB3 LYS 18 1HB LYS 18 -11.405 -3.412 -0.476
124 HG2 LYS 18 2HG LYS 18 -13.484 -2.960 -1.080
125 HG3 LYS 18 1HG LYS 18 -13.157 -1.238 -0.878
126 HD2 LYS 18 2HD LYS 18 -12.263 -1.199 -3.200
127 HD3 LYS 18 1HD LYS 18 -12.775 -2.880 -3.380
128 HE2 LYS 18 2HE LYS 18 -15.088 -1.931 -2.587
129 HE3 LYS 18 1HE LYS 18 -14.424 -0.400 -3.155
130 HZ1 LYS 18 3HZ LYS 18 -15.767 -1.873 -4.770
131 HZ2 LYS 18 1HZ LYS 18 -14.341 -2.781 -4.892
132 HZ3 LYS 18 2HZ LYS 18 -14.337 -1.141 -5.322
133 H CYS 19 H CYS 19 -8.759 -1.696 -1.598
134 HA CYS 19 HA CYS 19 -6.985 -2.512 0.605
135 HB2 CYS 19 2HB CYS 19 -7.459 -3.712 -1.923
136 HB3 CYS 19 1HB CYS 19 -5.839 -3.026 -1.980
137 H GLN 20 H GLN 20 -5.037 -1.449 0.872
138 HA GLN 20 HA GLN 20 -4.716 0.988 -0.743
139 HB2 GLN 20 2HB GLN 20 -3.875 1.461 1.952
140 HB3 GLN 20 1HB GLN 20 -5.112 2.298 1.023
141 HG2 GLN 20 2HG GLN 20 -5.796 -0.315 2.266
142 HG3 GLN 20 1HG GLN 20 -5.653 1.102 3.305
143 HE21 GLN 20 1HE2 GLN 20 -7.745 1.434 3.816
144 HE22 GLN 20 2HE2 GLN 20 -8.994 1.758 2.668
145 H CYS 21 H CYS 21 -2.616 1.781 -0.979
146 HA CYS 21 HA CYS 21 -0.471 0.378 0.404
147 HB2 CYS 21 2HB CYS 21 -0.816 0.525 -2.586
148 HB3 CYS 21 1HB CYS 21 0.772 0.319 -1.857
149 H ASP 22 H ASP 22 0.647 1.942 1.349
150 HA ASP 22 HA ASP 22 1.887 3.962 -0.304
151 HB2 ASP 22 2HB ASP 22 -0.301 4.894 0.895
152 HB3 ASP 22 1HB ASP 22 0.770 4.978 2.288
153 H GLU 23 H GLU 23 3.440 5.261 1.401
154 HA GLU 23 HA GLU 23 5.043 3.339 2.759
155 HB2 GLU 23 2HB GLU 23 6.237 5.280 3.675
156 HB3 GLU 23 1HB GLU 23 5.968 5.464 1.947
157 HG2 GLU 23 2HG GLU 23 4.154 6.990 2.341
158 HG3 GLU 23 1HG GLU 23 4.262 6.722 4.079
159 H LEU 24 H LEU 24 2.228 5.124 3.545
160 HA LEU 24 HA LEU 24 2.441 4.731 6.406
161 HG LEU 24 HG LEU 24 2.536 7.109 5.557
162 HB2 LEU 24 2HB LEU 24 0.251 5.837 4.650
163 HB3 LEU 24 1HB LEU 24 0.124 5.711 6.395
164 HD11 LEU 24 1HD1 LEU 24 1.275 7.883 3.696
165 HD12 LEU 24 2HD1 LEU 24 1.296 9.183 4.891
166 HD13 LEU 24 3HD1 LEU 24 -0.144 8.179 4.703
167 HD21 LEU 24 3HD2 LEU 24 1.132 6.940 7.813
168 HD22 LEU 24 1HD2 LEU 24 0.386 8.389 7.138
169 HD23 LEU 24 2HD2 LEU 24 2.126 8.341 7.415
170 H CYS 25 H CYS 25 2.120 2.529 4.213
171 HA CYS 25 HA CYS 25 -0.318 1.223 4.617
172 HB2 CYS 25 2HB CYS 25 0.582 -0.069 3.031
173 HB3 CYS 25 1HB CYS 25 2.147 0.697 3.280
174 H SER 26 H SER 26 2.731 1.033 6.402
175 HA SER 26 HA SER 26 1.871 -1.033 8.159
176 HG SER 26 HG SER 26 5.236 0.039 7.159
177 HB2 SER 26 2HB SER 26 3.950 0.536 9.318
178 HB3 SER 26 1HB SER 26 4.074 -1.053 8.556
179 H TYR 27 H TYR 27 1.563 2.411 8.099
180 HA TYR 27 HA TYR 27 1.121 2.877 10.848
181 HD1 TYR 27 1HD TYR 27 0.979 5.461 11.882
182 HD2 TYR 27 2HD TYR 27 -1.651 5.505 8.532
183 HE1 TYR 27 1HE TYR 27 -0.478 7.063 13.050
184 HE2 TYR 27 2HE TYR 27 -3.109 7.105 9.689
185 HH TYR 27 HH TYR 27 -2.988 8.753 11.453
186 HB2 TYR 27 2HB TYR 27 1.685 4.746 9.500
187 HB3 TYR 27 1HB TYR 27 0.401 4.407 8.349
188 H TYR 28 H TYR 28 -1.118 2.306 8.135
189 HA TYR 28 HA TYR 28 -3.370 2.166 9.984
190 HD1 TYR 28 2HD TYR 28 -5.580 3.641 9.221
191 HD2 TYR 28 1HD TYR 28 -2.452 4.074 6.368
192 HE1 TYR 28 2HE TYR 28 -6.037 6.056 9.089
193 HE2 TYR 28 1HE TYR 28 -2.906 6.484 6.225
194 HH TYR 28 HH TYR 28 -5.637 7.954 7.918
195 HB2 TYR 28 2HB TYR 28 -3.162 1.932 6.979
196 HB3 TYR 28 1HB TYR 28 -4.665 1.691 7.856
197 H GLN 29 H GLN 29 -1.074 0.106 8.617
198 HA GLN 29 HA GLN 29 -0.843 -2.117 8.269
199 HB2 GLN 29 2HB GLN 29 -1.349 -1.870 10.832
200 HB3 GLN 29 1HB GLN 29 -2.863 -2.659 10.410
201 HG2 GLN 29 2HG GLN 29 -1.894 -4.659 10.143
202 HG3 GLN 29 1HG GLN 29 -0.490 -3.983 9.323
203 HE21 GLN 29 1HE2 GLN 29 -0.598 -6.053 11.341
204 HE22 GLN 29 2HE2 GLN 29 0.355 -5.488 12.675
205 H SER 30 H SER 30 -2.429 -1.124 6.419
206 HA SER 30 HA SER 30 -4.365 -3.267 5.971
207 HG SER 30 HG SER 30 -4.779 -1.124 7.740
208 HB2 SER 30 2HB SER 30 -5.315 -0.644 5.044
209 HB3 SER 30 1HB SER 30 -6.198 -1.948 5.837
210 H CYS 31 H CYS 31 -1.921 -3.229 4.817
211 HA CYS 31 HA CYS 31 -2.225 -2.024 2.171
212 HB2 CYS 31 2HB CYS 31 0.203 -3.456 2.313
213 HB3 CYS 31 1HB CYS 31 -0.021 -1.712 2.356
214 H CYS 32 H CYS 32 -2.205 -3.224 0.279
215 HA CYS 32 HA CYS 32 -3.197 -5.916 0.485
216 HB2 CYS 32 2HB CYS 32 -3.259 -3.853 -1.449
217 HB3 CYS 32 1HB CYS 32 -2.440 -5.219 -2.195
218 H THR 33 H THR 33 -2.221 -7.720 -0.734
219 HA THR 33 HA THR 33 0.411 -8.210 0.095
220 HB THR 33 HB THR 33 -0.571 -9.824 -2.165
221 HG1 THR 33 1HG THR 33 -2.565 -9.886 -1.431
222 HG21 THR 33 3HG2 THR 33 1.269 -10.607 -0.821
223 HG22 THR 33 1HG2 THR 33 -0.123 -11.643 -0.509
224 HG23 THR 33 2HG2 THR 33 0.332 -10.402 0.658
225 H ASP 34 H ASP 34 -0.854 -6.919 -2.895
226 HA ASP 34 HA ASP 34 1.664 -7.240 -4.302
227 HB2 ASP 34 2HB ASP 34 -0.925 -5.886 -5.082
228 HB3 ASP 34 1HB ASP 34 0.485 -5.983 -6.130
229 H TYR 35 H TYR 35 1.616 -5.603 -1.870
230 HA TYR 35 HA TYR 35 1.681 -2.845 -2.580
231 HD1 TYR 35 1HD TYR 35 1.839 -0.866 -1.044
232 HD2 TYR 35 2HD TYR 35 4.422 -3.538 1.017
233 HE1 TYR 35 1HE TYR 35 3.107 1.046 -0.178
234 HE2 TYR 35 2HE TYR 35 5.702 -1.632 1.891
235 HH TYR 35 HH TYR 35 4.591 1.619 1.581
236 HB2 TYR 35 2HB TYR 35 1.227 -3.390 -0.303
237 HB3 TYR 35 1HB TYR 35 2.658 -4.408 -0.188
238 H THR 36 H THR 36 4.144 -5.311 -1.983
239 HA THR 36 HA THR 36 6.357 -3.597 -2.419
240 HB THR 36 HB THR 36 7.323 -6.115 -2.874
241 HG1 THR 36 1HG THR 36 5.290 -7.095 -2.600
242 HG21 THR 36 3HG2 THR 36 7.977 -4.394 -1.157
243 HG22 THR 36 1HG2 THR 36 8.020 -6.062 -0.588
244 HG23 THR 36 2HG2 THR 36 6.670 -5.015 -0.147
245 H ALA 37 H ALA 37 4.361 -5.568 -4.473
246 HA ALA 37 HA ALA 37 6.022 -5.706 -6.732
247 HB1 ALA 37 3HB ALA 37 3.565 -6.698 -6.067
248 HB2 ALA 37 1HB ALA 37 4.316 -6.815 -7.657
249 HB3 ALA 37 2HB ALA 37 3.168 -5.523 -7.319
250 H GLU 38 H GLU 38 3.486 -3.344 -5.874
251 HA GLU 38 HA GLU 38 4.035 -1.851 -8.301
252 HB2 GLU 38 2HB GLU 38 2.156 -0.433 -7.622
253 HB3 GLU 38 1HB GLU 38 1.720 -2.134 -7.625
254 HG2 GLU 38 2HG GLU 38 1.153 -2.079 -5.488
255 HG3 GLU 38 1HG GLU 38 2.672 -1.308 -5.031
256 H CYS 39 H CYS 39 4.465 -1.436 -4.824
257 HA CYS 39 HA CYS 39 5.461 1.270 -5.224
258 HB2 CYS 39 2HB CYS 39 3.891 0.766 -3.371
259 HB3 CYS 39 1HB CYS 39 5.101 -0.299 -2.665
260 H LYS 40 H LYS 40 6.598 -1.740 -3.707
261 HA LYS 40 HA LYS 40 8.637 -2.379 -2.935
262 HB2 LYS 40 2HB LYS 40 8.749 -2.438 -5.564
263 HB3 LYS 40 1HB LYS 40 9.917 -1.141 -5.340
264 HG2 LYS 40 2HG LYS 40 11.383 -2.523 -4.137
265 HG3 LYS 40 1HG LYS 40 10.146 -3.755 -3.888
266 HD2 LYS 40 2HD LYS 40 10.310 -3.512 -6.643
267 HD3 LYS 40 1HD LYS 40 11.987 -3.396 -6.103
268 HE2 LYS 40 2HE LYS 40 10.895 -5.469 -4.595
269 HE3 LYS 40 1HE LYS 40 10.228 -5.695 -6.210
270 HZ1 LYS 40 3HZ LYS 40 12.421 -6.818 -5.715
271 HZ2 LYS 40 1HZ LYS 40 13.124 -5.272 -5.751
272 HZ3 LYS 40 2HZ LYS 40 12.357 -5.888 -7.133
273 HA PRO 41 HA PRO 41 9.604 1.946 -1.382
274 HB2 PRO 41 2HB PRO 41 9.654 1.083 1.245
275 HB3 PRO 41 1HB PRO 41 8.250 1.802 0.449
276 HG2 PRO 41 2HG PRO 41 8.894 -1.077 0.924
277 HG3 PRO 41 1HG PRO 41 7.336 -0.241 1.042
278 HD2 PRO 41 2HD PRO 41 7.952 -1.767 -1.068
279 HD3 PRO 41 1HD PRO 41 7.006 -0.274 -1.249
280 H GLN 42 H GLN 42 10.737 -1.154 -0.082
281 HA GLN 42 HA GLN 42 13.422 -0.666 -0.915
282 HB2 GLN 42 2HB GLN 42 14.103 -1.237 1.627
283 HB3 GLN 42 1HB GLN 42 14.033 0.400 0.998
284 HG2 GLN 42 2HG GLN 42 11.438 -0.191 1.871
285 HG3 GLN 42 1HG GLN 42 12.524 -0.810 3.115
286 HE21 GLN 42 1HE2 GLN 42 12.493 2.031 0.985
287 HE22 GLN 42 2HE2 GLN 42 12.736 3.185 2.250
288 H VAL 43 H VAL 43 11.938 -2.508 1.673
289 HA VAL 43 HA VAL 43 11.855 -4.942 0.173
290 HB VAL 43 HB VAL 43 14.267 -4.823 0.768
291 HG11 VAL 43 1HG1 VAL 43 13.453 -3.780 3.135
292 HG12 VAL 43 2HG1 VAL 43 15.061 -4.439 2.824
293 HG13 VAL 43 3HG1 VAL 43 13.831 -5.440 3.597
294 HG21 VAL 43 3HG2 VAL 43 12.481 -6.990 1.216
295 HG22 VAL 43 1HG2 VAL 43 13.778 -7.075 2.405
296 HG23 VAL 43 2HG2 VAL 43 14.161 -7.033 0.685
297 H THR 44 H THR 44 10.717 -6.596 1.302
298 HA THR 44 HA THR 44 8.816 -5.600 3.192
299 HB THR 44 HB THR 44 8.778 -8.471 2.914
300 HG1 THR 44 1HG THR 44 8.755 -8.641 0.697
301 HG21 THR 44 3HG2 THR 44 7.019 -6.148 2.497
302 HG22 THR 44 1HG2 THR 44 6.671 -7.717 3.224
303 HG23 THR 44 2HG2 THR 44 6.673 -7.539 1.470
304 H ARG 45 H ARG 45 11.100 -5.247 4.525
305 HA ARG 45 HA ARG 45 11.526 -7.593 6.242
306 HE ARG 45 HE ARG 45 16.616 -6.841 7.477
307 HB2 ARG 45 2HB ARG 45 13.377 -6.038 5.045
308 HB3 ARG 45 1HB ARG 45 13.218 -5.183 6.574
309 HG2 ARG 45 2HG ARG 45 13.442 -8.039 6.973
310 HG3 ARG 45 1HG ARG 45 14.807 -7.391 6.061
311 HD2 ARG 45 2HD ARG 45 14.570 -5.517 7.992
312 HD3 ARG 45 1HD ARG 45 14.011 -6.944 8.862
313 HH11 ARG 45 1HH1 ARG 45 14.642 -7.587 10.280
314 HH12 ARG 45 2HH1 ARG 45 15.947 -8.332 11.161
315 HH21 ARG 45 1HH2 ARG 45 18.334 -7.843 8.627
316 HH22 ARG 45 2HH2 ARG 45 18.035 -8.495 10.217
317 H GLY 46 H GLY 46 9.145 -6.411 6.701
318 HA2 GLY 46 2HA GLY 46 9.587 -4.860 9.175
319 HA3 GLY 46 1HA GLY 46 8.130 -4.771 8.197
320 H ASP 47 H ASP 47 8.810 -7.884 8.050
321 HA ASP 47 HA ASP 47 7.724 -8.687 10.623
322 HB2 ASP 47 2HB ASP 47 5.656 -8.411 9.535
323 HB3 ASP 47 1HB ASP 47 6.292 -8.963 7.990
Start of MODEL 15
1 HA ASP 1 HA ASP 1 -12.534 -5.317 -5.277
2 H1 ASP 1 1HT ASP 1 -14.104 -4.072 -4.249
3 H2 ASP 1 2HT ASP 1 -14.591 -3.275 -5.662
4 H3 ASP 1 3HT ASP 1 -13.133 -2.843 -4.905
5 HB2 ASP 1 2HB ASP 1 -14.892 -5.698 -6.207
6 HB3 ASP 1 1HB ASP 1 -14.342 -4.843 -7.642
7 H GLN 2 H GLN 2 -11.109 -5.714 -7.157
8 HA GLN 2 HA GLN 2 -9.311 -5.060 -8.370
9 HB2 GLN 2 2HB GLN 2 -11.506 -3.813 -9.544
10 HB3 GLN 2 1HB GLN 2 -10.319 -2.527 -9.372
11 HG2 GLN 2 2HG GLN 2 -9.621 -3.285 -11.363
12 HG3 GLN 2 1HG GLN 2 -8.739 -4.440 -10.368
13 HE21 GLN 2 1HE2 GLN 2 -9.856 -6.512 -9.937
14 HE22 GLN 2 2HE2 GLN 2 -10.841 -7.177 -11.194
15 H GLU 3 H GLU 3 -9.416 -4.318 -5.675
16 HA GLU 3 HA GLU 3 -8.269 -1.630 -5.554
17 HB2 GLU 3 2HB GLU 3 -8.443 -3.286 -3.101
18 HB3 GLU 3 1HB GLU 3 -8.815 -1.585 -3.335
19 HG2 GLU 3 2HG GLU 3 -10.667 -3.325 -4.727
20 HG3 GLU 3 1HG GLU 3 -10.625 -3.627 -2.991
21 H SER 4 H SER 4 -7.171 -4.458 -6.441
22 HA SER 4 HA SER 4 -4.975 -5.177 -4.957
23 HG SER 4 HG SER 4 -6.439 -6.735 -7.982
24 HB2 SER 4 2HB SER 4 -4.443 -5.269 -7.813
25 HB3 SER 4 1HB SER 4 -4.715 -6.598 -6.682
26 H CYS 5 H CYS 5 -2.779 -4.641 -5.062
27 HA CYS 5 HA CYS 5 -2.396 -1.803 -5.463
28 HB2 CYS 5 2HB CYS 5 -1.498 -3.303 -3.518
29 HB3 CYS 5 1HB CYS 5 -0.196 -3.663 -4.646
30 H LYS 6 H LYS 6 -1.796 -1.015 -7.310
31 HA LYS 6 HA LYS 6 0.353 -2.297 -8.815
32 HB2 LYS 6 2HB LYS 6 -2.097 -1.172 -10.195
33 HB3 LYS 6 1HB LYS 6 -0.745 -2.008 -10.942
34 HG2 LYS 6 2HG LYS 6 -2.394 -3.438 -8.914
35 HG3 LYS 6 1HG LYS 6 -3.022 -3.224 -10.548
36 HD2 LYS 6 2HD LYS 6 -1.605 -4.745 -11.410
37 HD3 LYS 6 1HD LYS 6 -0.246 -4.167 -10.443
38 HE2 LYS 6 2HE LYS 6 -0.941 -5.432 -8.557
39 HE3 LYS 6 1HE LYS 6 -2.494 -5.806 -9.298
40 HZ1 LYS 6 3HZ LYS 6 -1.630 -7.547 -10.351
41 HZ2 LYS 6 1HZ LYS 6 -0.278 -7.381 -9.343
42 HZ3 LYS 6 2HZ LYS 6 -0.271 -6.680 -10.884
43 H GLY 7 H GLY 7 -1.864 0.474 -8.996
44 HA2 GLY 7 2HA GLY 7 0.491 2.247 -8.873
45 HA3 GLY 7 1HA GLY 7 -0.848 2.553 -9.973
46 H ARG 8 H ARG 8 -0.712 1.614 -6.521
47 HA ARG 8 HA ARG 8 -2.630 3.747 -5.950
48 HE ARG 8 HE ARG 8 -5.269 2.422 -4.884
49 HB2 ARG 8 2HB ARG 8 -1.518 1.963 -3.813
50 HB3 ARG 8 1HB ARG 8 -3.115 2.691 -3.935
51 HG2 ARG 8 2HG ARG 8 -2.933 0.976 -6.123
52 HG3 ARG 8 1HG ARG 8 -2.215 0.093 -4.772
53 HD2 ARG 8 2HD ARG 8 -4.510 -0.424 -4.705
54 HD3 ARG 8 1HD ARG 8 -4.267 0.776 -3.437
55 HH11 ARG 8 1HH1 ARG 8 -5.608 -0.914 -5.925
56 HH12 ARG 8 2HH1 ARG 8 -6.982 -0.587 -6.929
57 HH21 ARG 8 1HH2 ARG 8 -7.064 2.848 -6.244
58 HH22 ARG 8 2HH2 ARG 8 -7.812 1.531 -7.111
59 H CYS 9 H CYS 9 0.706 3.096 -5.805
60 HA CYS 9 HA CYS 9 1.362 4.803 -3.594
61 HB2 CYS 9 2HB CYS 9 3.692 4.468 -5.005
62 HB3 CYS 9 1HB CYS 9 3.091 3.357 -3.774
63 H THR 10 H THR 10 0.704 5.243 -6.906
64 HA THR 10 HA THR 10 2.220 7.661 -7.253
65 HB THR 10 HB THR 10 0.472 7.694 -9.309
66 HG1 THR 10 1HG THR 10 -0.655 5.897 -9.275
67 HG21 THR 10 3HG2 THR 10 2.979 7.495 -9.361
68 HG22 THR 10 1HG2 THR 10 2.142 6.580 -10.614
69 HG23 THR 10 2HG2 THR 10 2.775 5.751 -9.192
70 H GLU 11 H GLU 11 -0.852 6.783 -6.018
71 HA GLU 11 HA GLU 11 -1.886 9.516 -6.270
72 HB2 GLU 11 2HB GLU 11 -3.564 7.444 -4.997
73 HB3 GLU 11 1HB GLU 11 -3.987 8.655 -6.201
74 HG2 GLU 11 2HG GLU 11 -2.240 6.473 -7.133
75 HG3 GLU 11 1HG GLU 11 -3.881 6.011 -6.687
76 H GLY 12 H GLY 12 -1.161 6.995 -3.922
77 HA2 GLY 12 2HA GLY 12 -0.107 7.819 -1.818
78 HA3 GLY 12 1HA GLY 12 -1.411 9.001 -1.770
79 H PHE 13 H PHE 13 -1.303 7.603 0.443
80 HA PHE 13 HA PHE 13 -2.613 5.123 0.458
81 HD1 PHE 13 2HD PHE 13 -4.869 5.529 3.226
82 HD2 PHE 13 1HD PHE 13 -0.824 4.239 3.076
83 HE1 PHE 13 2HE PHE 13 -5.470 3.526 4.509
84 HE2 PHE 13 1HE PHE 13 -1.416 2.226 4.352
85 HZ PHE 13 HZ PHE 13 -3.740 1.866 5.072
86 HB2 PHE 13 2HB PHE 13 -1.390 6.418 2.375
87 HB3 PHE 13 1HB PHE 13 -2.988 7.088 2.691
88 H ASN 14 H ASN 14 -4.477 4.841 -0.565
89 HA ASN 14 HA ASN 14 -6.602 6.803 -0.327
90 HB2 ASN 14 2HB ASN 14 -7.851 4.923 -1.689
91 HB3 ASN 14 1HB ASN 14 -6.685 5.977 -2.479
92 HD21 ASN 14 1HD2 ASN 14 -6.709 2.925 -0.657
93 HD22 ASN 14 2HD2 ASN 14 -5.650 2.078 -1.735
94 H VAL 15 H VAL 15 -7.033 6.675 1.895
95 HA VAL 15 HA VAL 15 -7.555 4.199 3.214
96 HB VAL 15 HB VAL 15 -8.856 6.501 4.457
97 HG11 VAL 15 1HG1 VAL 15 -6.778 5.596 6.071
98 HG12 VAL 15 2HG1 VAL 15 -7.308 4.171 5.176
99 HG13 VAL 15 3HG1 VAL 15 -8.468 5.089 6.133
100 HG21 VAL 15 3HG2 VAL 15 -7.317 8.032 3.797
101 HG22 VAL 15 1HG2 VAL 15 -6.091 6.814 3.457
102 HG23 VAL 15 2HG2 VAL 15 -6.396 7.313 5.118
103 H ASP 16 H ASP 16 -9.318 6.158 1.115
104 HA ASP 16 HA ASP 16 -11.941 5.428 1.984
105 HB2 ASP 16 2HB ASP 16 -12.631 6.968 0.492
106 HB3 ASP 16 1HB ASP 16 -10.927 7.367 0.319
107 H LYS 17 H LYS 17 -9.515 3.915 0.080
108 HA LYS 17 HA LYS 17 -11.369 2.180 -1.319
109 HB2 LYS 17 2HB LYS 17 -8.362 2.397 -1.246
110 HB3 LYS 17 1HB LYS 17 -9.156 1.020 -2.000
111 HG2 LYS 17 2HG LYS 17 -9.664 3.889 -2.766
112 HG3 LYS 17 1HG LYS 17 -8.501 2.834 -3.571
113 HD2 LYS 17 2HD LYS 17 -10.186 2.238 -4.910
114 HD3 LYS 17 1HD LYS 17 -10.816 1.329 -3.533
115 HE2 LYS 17 2HE LYS 17 -12.438 2.912 -4.669
116 HE3 LYS 17 1HE LYS 17 -12.277 3.084 -2.922
117 HZ1 LYS 17 3HZ LYS 17 -12.263 5.184 -4.355
118 HZ2 LYS 17 1HZ LYS 17 -10.676 4.753 -4.766
119 HZ3 LYS 17 2HZ LYS 17 -11.087 5.052 -3.145
120 H LYS 18 H LYS 18 -10.817 -0.261 -1.213
121 HA LYS 18 HA LYS 18 -10.999 -0.981 1.617
122 HB2 LYS 18 2HB LYS 18 -11.624 -2.485 -0.922
123 HB3 LYS 18 1HB LYS 18 -11.661 -3.239 0.667
124 HG2 LYS 18 2HG LYS 18 -13.814 -2.652 0.663
125 HG3 LYS 18 1HG LYS 18 -13.207 -1.049 1.083
126 HD2 LYS 18 2HD LYS 18 -12.992 -1.099 -1.662
127 HD3 LYS 18 1HD LYS 18 -14.488 -1.984 -1.362
128 HE2 LYS 18 2HE LYS 18 -14.816 0.105 0.319
129 HE3 LYS 18 1HE LYS 18 -13.845 0.864 -0.943
130 HZ1 LYS 18 3HZ LYS 18 -16.517 -0.370 -1.165
131 HZ2 LYS 18 1HZ LYS 18 -15.528 -0.196 -2.533
132 HZ3 LYS 18 2HZ LYS 18 -16.018 1.173 -1.659
133 H CYS 19 H CYS 19 -8.743 -0.894 -0.852
134 HA CYS 19 HA CYS 19 -6.870 -2.353 0.862
135 HB2 CYS 19 2HB CYS 19 -7.687 -3.580 -1.351
136 HB3 CYS 19 1HB CYS 19 -6.495 -2.523 -2.099
137 H GLN 20 H GLN 20 -4.834 -1.376 0.983
138 HA GLN 20 HA GLN 20 -4.681 1.240 -0.349
139 HB2 GLN 20 2HB GLN 20 -4.259 0.682 2.587
140 HB3 GLN 20 1HB GLN 20 -3.974 2.226 1.804
141 HG2 GLN 20 2HG GLN 20 -6.022 2.669 2.594
142 HG3 GLN 20 1HG GLN 20 -6.533 1.856 1.113
143 HE21 GLN 20 1HE2 GLN 20 -8.228 2.030 3.233
144 HE22 GLN 20 2HE2 GLN 20 -8.447 0.471 3.951
145 H CYS 21 H CYS 21 -2.616 2.032 -0.766
146 HA CYS 21 HA CYS 21 -0.360 0.639 0.467
147 HB2 CYS 21 2HB CYS 21 -0.518 1.266 -2.489
148 HB3 CYS 21 1HB CYS 21 0.872 0.585 -1.652
149 H ASP 22 H ASP 22 0.653 2.177 1.540
150 HA ASP 22 HA ASP 22 1.892 4.293 0.011
151 HB2 ASP 22 2HB ASP 22 -0.299 5.151 1.264
152 HB3 ASP 22 1HB ASP 22 0.776 5.154 2.656
153 H GLU 23 H GLU 23 3.417 5.498 1.825
154 HA GLU 23 HA GLU 23 4.990 3.467 3.072
155 HB2 GLU 23 2HB GLU 23 6.242 5.303 4.072
156 HB3 GLU 23 1HB GLU 23 5.948 5.627 2.370
157 HG2 GLU 23 2HG GLU 23 4.730 7.452 2.799
158 HG3 GLU 23 1HG GLU 23 3.920 6.710 4.180
159 H LEU 24 H LEU 24 2.149 5.144 3.908
160 HA LEU 24 HA LEU 24 2.366 4.679 6.767
161 HG LEU 24 HG LEU 24 2.407 7.131 5.984
162 HB2 LEU 24 2HB LEU 24 0.199 5.847 5.028
163 HB3 LEU 24 1HB LEU 24 0.013 5.610 6.755
164 HD11 LEU 24 1HD1 LEU 24 -0.333 8.007 5.214
165 HD12 LEU 24 2HD1 LEU 24 1.205 8.242 4.378
166 HD13 LEU 24 3HD1 LEU 24 0.820 9.204 5.807
167 HD21 LEU 24 3HD2 LEU 24 1.317 8.627 7.796
168 HD22 LEU 24 1HD2 LEU 24 2.008 7.072 8.261
169 HD23 LEU 24 2HD2 LEU 24 0.263 7.238 8.063
170 H CYS 25 H CYS 25 2.067 2.522 4.532
171 HA CYS 25 HA CYS 25 -0.438 1.297 4.843
172 HB2 CYS 25 2HB CYS 25 0.362 -0.062 3.260
173 HB3 CYS 25 1HB CYS 25 1.909 0.767 3.387
174 H SER 26 H SER 26 2.546 0.989 6.679
175 HA SER 26 HA SER 26 1.655 -1.161 8.314
176 HG SER 26 HG SER 26 5.118 0.077 7.580
177 HB2 SER 26 2HB SER 26 3.688 0.400 9.588
178 HB3 SER 26 1HB SER 26 3.840 -1.172 8.800
179 H TYR 27 H TYR 27 1.312 2.283 8.407
180 HA TYR 27 HA TYR 27 0.780 2.578 11.175
181 HD1 TYR 27 1HD TYR 27 0.533 5.117 12.369
182 HD2 TYR 27 2HD TYR 27 -1.833 5.340 8.838
183 HE1 TYR 27 1HE TYR 27 -1.034 6.623 13.519
184 HE2 TYR 27 2HE TYR 27 -3.403 6.841 9.977
185 HH TYR 27 HH TYR 27 -3.667 7.178 13.146
186 HB2 TYR 27 2HB TYR 27 1.429 4.536 10.033
187 HB3 TYR 27 1HB TYR 27 0.254 4.285 8.752
188 H TYR 28 H TYR 28 -1.307 2.196 8.330
189 HA TYR 28 HA TYR 28 -3.668 2.054 10.022
190 HD1 TYR 28 1HD TYR 28 -5.882 3.411 9.185
191 HD2 TYR 28 2HD TYR 28 -2.596 4.119 6.583
192 HE1 TYR 28 1HE TYR 28 -6.409 5.815 9.180
193 HE2 TYR 28 2HE TYR 28 -3.106 6.522 6.572
194 HH TYR 28 HH TYR 28 -5.063 7.990 8.783
195 HB2 TYR 28 2HB TYR 28 -3.244 1.917 7.040
196 HB3 TYR 28 1HB TYR 28 -4.805 1.577 7.775
197 H GLN 29 H GLN 29 -1.305 -0.027 8.808
198 HA GLN 29 HA GLN 29 -1.044 -2.267 8.619
199 HB2 GLN 29 2HB GLN 29 -2.670 -1.831 10.977
200 HB3 GLN 29 1HB GLN 29 -3.053 -3.378 10.231
201 HG2 GLN 29 2HG GLN 29 -0.375 -2.424 11.207
202 HG3 GLN 29 1HG GLN 29 -1.357 -3.737 11.854
203 HE21 GLN 29 1HE2 GLN 29 1.414 -3.552 10.682
204 HE22 GLN 29 2HE2 GLN 29 1.458 -4.817 9.498
205 H SER 30 H SER 30 -2.335 -1.277 6.553
206 HA SER 30 HA SER 30 -4.087 -3.434 5.760
207 HG SER 30 HG SER 30 -5.160 -2.217 7.614
208 HB2 SER 30 2HB SER 30 -5.061 -0.579 5.483
209 HB3 SER 30 1HB SER 30 -5.935 -2.053 5.067
210 H CYS 31 H CYS 31 -2.064 -3.721 4.573
211 HA CYS 31 HA CYS 31 -2.073 -2.107 2.106
212 HB2 CYS 31 2HB CYS 31 0.350 -3.605 2.336
213 HB3 CYS 31 1HB CYS 31 0.142 -1.857 2.314
214 H CYS 32 H CYS 32 -1.824 -3.239 0.130
215 HA CYS 32 HA CYS 32 -2.936 -5.894 0.152
216 HB2 CYS 32 2HB CYS 32 -1.836 -4.552 -2.296
217 HB3 CYS 32 1HB CYS 32 -3.202 -5.654 -2.157
218 H THR 33 H THR 33 -1.960 -7.697 -1.027
219 HA THR 33 HA THR 33 0.617 -8.308 -0.104
220 HB THR 33 HB THR 33 0.119 -10.041 -2.224
221 HG1 THR 33 1HG THR 33 -1.961 -10.002 -2.595
222 HG21 THR 33 3HG2 THR 33 -0.916 -11.454 -0.298
223 HG22 THR 33 1HG2 THR 33 -0.434 -10.096 0.719
224 HG23 THR 33 2HG2 THR 33 0.780 -10.980 -0.204
225 H ASP 34 H ASP 34 -0.521 -6.817 -3.014
226 HA ASP 34 HA ASP 34 1.962 -7.258 -4.455
227 HB2 ASP 34 2HB ASP 34 0.203 -5.393 -5.760
228 HB3 ASP 34 1HB ASP 34 0.702 -6.997 -6.281
229 H TYR 35 H TYR 35 1.301 -5.289 -2.034
230 HA TYR 35 HA TYR 35 1.836 -2.694 -2.984
231 HD1 TYR 35 1HD TYR 35 2.224 -0.600 -1.842
232 HD2 TYR 35 2HD TYR 35 3.481 -3.103 1.359
233 HE1 TYR 35 1HE TYR 35 3.526 1.261 -0.910
234 HE2 TYR 35 2HE TYR 35 4.791 -1.250 2.298
235 HH TYR 35 HH TYR 35 4.378 1.780 1.702
236 HB2 TYR 35 2HB TYR 35 0.911 -2.862 -0.809
237 HB3 TYR 35 1HB TYR 35 2.142 -4.003 -0.283
238 H THR 36 H THR 36 3.939 -5.204 -1.657
239 HA THR 36 HA THR 36 6.309 -3.645 -1.885
240 HB THR 36 HB THR 36 7.253 -6.148 -1.654
241 HG1 THR 36 1HG THR 36 5.749 -7.524 -0.911
242 HG21 THR 36 3HG2 THR 36 7.391 -5.744 0.647
243 HG22 THR 36 1HG2 THR 36 5.834 -4.917 0.686
244 HG23 THR 36 2HG2 THR 36 7.233 -4.126 -0.042
245 H ALA 37 H ALA 37 4.636 -5.965 -3.883
246 HA ALA 37 HA ALA 37 6.747 -6.462 -5.712
247 HB1 ALA 37 3HB ALA 37 5.301 -8.139 -6.012
248 HB2 ALA 37 1HB ALA 37 4.464 -7.033 -7.100
249 HB3 ALA 37 2HB ALA 37 3.935 -7.188 -5.425
250 H GLU 38 H GLU 38 3.887 -4.344 -5.853
251 HA GLU 38 HA GLU 38 4.738 -3.412 -8.479
252 HB2 GLU 38 2HB GLU 38 2.200 -3.110 -6.899
253 HB3 GLU 38 1HB GLU 38 2.495 -2.185 -8.366
254 HG2 GLU 38 2HG GLU 38 2.374 -5.180 -8.116
255 HG3 GLU 38 1HG GLU 38 1.180 -4.129 -8.877
256 H CYS 39 H CYS 39 4.358 -2.146 -5.198
257 HA CYS 39 HA CYS 39 5.002 0.530 -6.200
258 HB2 CYS 39 2HB CYS 39 3.976 -0.448 -3.539
259 HB3 CYS 39 1HB CYS 39 4.539 1.202 -3.787
260 H LYS 40 H LYS 40 6.018 -1.661 -3.585
261 HA LYS 40 HA LYS 40 8.024 -2.086 -2.635
262 HB2 LYS 40 2HB LYS 40 8.618 -1.951 -5.282
263 HB3 LYS 40 1HB LYS 40 9.668 -0.689 -4.649
264 HG2 LYS 40 2HG LYS 40 10.825 -2.200 -3.271
265 HG3 LYS 40 1HG LYS 40 9.595 -3.449 -3.468
266 HD2 LYS 40 2HD LYS 40 10.645 -2.643 -6.023
267 HD3 LYS 40 1HD LYS 40 11.949 -3.131 -4.941
268 HE2 LYS 40 2HE LYS 40 9.923 -5.022 -4.578
269 HE3 LYS 40 1HE LYS 40 10.011 -4.752 -6.319
270 HZ1 LYS 40 3HZ LYS 40 12.052 -5.821 -4.495
271 HZ2 LYS 40 1HZ LYS 40 12.552 -4.983 -5.885
272 HZ3 LYS 40 2HZ LYS 40 11.586 -6.367 -6.034
273 HA PRO 41 HA PRO 41 8.060 1.832 -0.386
274 HB2 PRO 41 2HB PRO 41 9.711 0.044 1.340
275 HB3 PRO 41 1HB PRO 41 8.384 1.121 1.783
276 HG2 PRO 41 2HG PRO 41 8.004 -1.509 1.648
277 HG3 PRO 41 1HG PRO 41 6.758 -0.380 1.080
278 HD2 PRO 41 2HD PRO 41 8.659 -2.051 -0.489
279 HD3 PRO 41 1HD PRO 41 6.981 -1.602 -0.855
280 H GLN 42 H GLN 42 10.895 -0.300 -0.606
281 HA GLN 42 HA GLN 42 13.048 0.034 -1.214
282 HB2 GLN 42 2HB GLN 42 11.647 2.230 -2.682
283 HB3 GLN 42 1HB GLN 42 13.402 2.131 -2.724
284 HG2 GLN 42 2HG GLN 42 12.175 -0.429 -3.262
285 HG3 GLN 42 1HG GLN 42 11.620 0.818 -4.381
286 HE21 GLN 42 1HE2 GLN 42 12.878 1.346 -6.019
287 HE22 GLN 42 2HE2 GLN 42 14.529 0.856 -6.223
288 H VAL 43 H VAL 43 12.072 1.240 1.299
289 HA VAL 43 HA VAL 43 14.151 3.299 1.605
290 HB VAL 43 HB VAL 43 12.044 4.330 2.054
291 HG11 VAL 43 1HG1 VAL 43 10.420 3.490 3.659
292 HG12 VAL 43 2HG1 VAL 43 11.434 2.080 3.969
293 HG13 VAL 43 3HG1 VAL 43 10.704 2.312 2.379
294 HG21 VAL 43 3HG2 VAL 43 13.168 5.368 3.669
295 HG22 VAL 43 1HG2 VAL 43 13.938 3.875 4.206
296 HG23 VAL 43 2HG2 VAL 43 12.331 4.300 4.797
297 H THR 44 H THR 44 15.788 2.863 2.959
298 HA THR 44 HA THR 44 15.488 0.531 4.739
299 HB THR 44 HB THR 44 18.089 0.346 4.177
300 HG1 THR 44 1HG THR 44 17.021 1.136 1.654
301 HG21 THR 44 3HG2 THR 44 17.548 -1.601 3.145
302 HG22 THR 44 1HG2 THR 44 16.393 -0.828 2.061
303 HG23 THR 44 2HG2 THR 44 15.935 -1.193 3.723
304 H ARG 45 H ARG 45 15.777 1.124 6.781
305 HA ARG 45 HA ARG 45 17.326 3.462 7.486
306 HE ARG 45 HE ARG 45 17.619 3.601 11.943
307 HB2 ARG 45 2HB ARG 45 15.195 2.233 8.652
308 HB3 ARG 45 1HB ARG 45 16.512 1.575 9.609
309 HG2 ARG 45 2HG ARG 45 17.267 4.002 9.908
310 HG3 ARG 45 1HG ARG 45 15.669 4.435 9.299
311 HD2 ARG 45 2HD ARG 45 14.935 4.233 11.393
312 HD3 ARG 45 1HD ARG 45 15.158 2.494 11.213
313 HH11 ARG 45 1HH1 ARG 45 14.423 3.154 13.311
314 HH12 ARG 45 2HH1 ARG 45 14.991 3.093 14.951
315 HH21 ARG 45 1HH2 ARG 45 18.379 3.483 14.087
316 HH22 ARG 45 2HH2 ARG 45 17.244 3.250 15.389
317 H GLY 46 H GLY 46 19.465 3.148 7.093
318 HA2 GLY 46 2HA GLY 46 20.697 0.570 7.501
319 HA3 GLY 46 1HA GLY 46 21.478 2.018 6.897
320 H ASP 47 H ASP 47 19.778 1.382 9.951
321 HA ASP 47 HA ASP 47 22.212 1.324 11.461
322 HB2 ASP 47 2HB ASP 47 22.157 3.357 12.535
323 HB3 ASP 47 1HB ASP 47 21.545 3.840 10.959
Start of MODEL 16
1 HA ASP 1 HA ASP 1 -13.502 -8.205 -7.895
2 H1 ASP 1 1HT ASP 1 -14.815 -7.942 -5.699
3 H2 ASP 1 2HT ASP 1 -13.287 -8.103 -4.983
4 H3 ASP 1 3HT ASP 1 -13.882 -9.331 -5.992
5 HB2 ASP 1 2HB ASP 1 -12.917 -5.519 -7.045
6 HB3 ASP 1 1HB ASP 1 -14.167 -6.081 -8.151
7 H GLN 2 H GLN 2 -11.639 -5.648 -7.025
8 HA GLN 2 HA GLN 2 -9.255 -7.235 -7.490
9 HB2 GLN 2 2HB GLN 2 -10.019 -4.399 -7.771
10 HB3 GLN 2 1HB GLN 2 -8.352 -4.683 -7.288
11 HG2 GLN 2 2HG GLN 2 -7.927 -4.889 -9.459
12 HG3 GLN 2 1HG GLN 2 -8.692 -6.474 -9.331
13 HE21 GLN 2 1HE2 GLN 2 -10.658 -6.816 -10.225
14 HE22 GLN 2 2HE2 GLN 2 -11.481 -5.652 -11.216
15 H GLU 3 H GLU 3 -7.696 -7.634 -6.081
16 HA GLU 3 HA GLU 3 -7.782 -6.309 -3.446
17 HB2 GLU 3 2HB GLU 3 -7.146 -8.322 -2.405
18 HB3 GLU 3 1HB GLU 3 -8.331 -8.831 -3.598
19 HG2 GLU 3 2HG GLU 3 -5.369 -8.917 -4.096
20 HG3 GLU 3 1HG GLU 3 -6.264 -10.261 -3.393
21 H SER 4 H SER 4 -6.295 -6.211 -6.249
22 HA SER 4 HA SER 4 -3.544 -6.517 -5.336
23 HG SER 4 HG SER 4 -5.547 -7.900 -7.148
24 HB2 SER 4 2HB SER 4 -3.727 -5.935 -8.127
25 HB3 SER 4 1HB SER 4 -3.239 -7.441 -7.346
26 H CYS 5 H CYS 5 -2.076 -4.938 -5.374
27 HA CYS 5 HA CYS 5 -3.001 -2.194 -5.759
28 HB2 CYS 5 2HB CYS 5 -1.592 -3.058 -3.762
29 HB3 CYS 5 1HB CYS 5 -0.243 -3.027 -4.891
30 H LYS 6 H LYS 6 -2.162 -0.823 -7.317
31 HA LYS 6 HA LYS 6 -0.330 -2.065 -9.257
32 HB2 LYS 6 2HB LYS 6 -2.219 0.136 -10.025
33 HB3 LYS 6 1HB LYS 6 -1.445 -1.062 -11.049
34 HG2 LYS 6 2HG LYS 6 -2.890 -2.799 -9.992
35 HG3 LYS 6 1HG LYS 6 -3.735 -1.500 -9.148
36 HD2 LYS 6 2HD LYS 6 -3.517 -1.832 -12.143
37 HD3 LYS 6 1HD LYS 6 -4.943 -2.167 -11.160
38 HE2 LYS 6 2HE LYS 6 -3.731 0.538 -10.966
39 HE3 LYS 6 1HE LYS 6 -4.611 0.138 -12.440
40 HZ1 LYS 6 3HZ LYS 6 -5.901 -0.477 -9.889
41 HZ2 LYS 6 1HZ LYS 6 -6.583 0.049 -11.352
42 HZ3 LYS 6 2HZ LYS 6 -5.798 1.157 -10.337
43 H GLY 7 H GLY 7 -1.500 1.267 -8.828
44 HA2 GLY 7 2HA GLY 7 1.247 2.104 -8.232
45 HA3 GLY 7 1HA GLY 7 0.469 2.768 -9.664
46 H ARG 8 H ARG 8 -1.217 2.039 -6.684
47 HA ARG 8 HA ARG 8 -2.152 4.765 -6.598
48 HE ARG 8 HE ARG 8 -5.239 3.301 -3.763
49 HB2 ARG 8 2HB ARG 8 -3.720 4.051 -4.967
50 HB3 ARG 8 1HB ARG 8 -3.636 2.789 -6.182
51 HG2 ARG 8 2HG ARG 8 -2.115 1.525 -4.670
52 HG3 ARG 8 1HG ARG 8 -2.407 2.759 -3.439
53 HD2 ARG 8 2HD ARG 8 -4.189 0.638 -4.467
54 HD3 ARG 8 1HD ARG 8 -4.034 1.297 -2.839
55 HH11 ARG 8 1HH1 ARG 8 -5.733 0.069 -5.013
56 HH12 ARG 8 2HH1 ARG 8 -7.259 0.449 -5.754
57 HH21 ARG 8 1HH2 ARG 8 -7.228 3.803 -4.710
58 HH22 ARG 8 2HH2 ARG 8 -8.114 2.588 -5.588
59 H CYS 9 H CYS 9 0.652 3.609 -5.705
60 HA CYS 9 HA CYS 9 0.911 4.594 -3.023
61 HB2 CYS 9 2HB CYS 9 2.861 3.723 -5.145
62 HB3 CYS 9 1HB CYS 9 3.427 4.508 -3.676
63 H THR 10 H THR 10 0.736 5.968 -6.106
64 HA THR 10 HA THR 10 2.081 8.418 -5.210
65 HB THR 10 HB THR 10 1.873 8.865 -7.821
66 HG1 THR 10 1HG THR 10 2.399 6.146 -8.067
67 HG21 THR 10 3HG2 THR 10 3.957 8.721 -6.487
68 HG22 THR 10 1HG2 THR 10 4.120 7.990 -8.084
69 HG23 THR 10 2HG2 THR 10 3.912 6.966 -6.663
70 H GLU 11 H GLU 11 -0.883 7.259 -5.111
71 HA GLU 11 HA GLU 11 -2.127 9.794 -5.943
72 HB2 GLU 11 2HB GLU 11 -4.180 8.684 -6.274
73 HB3 GLU 11 1HB GLU 11 -2.980 7.593 -6.946
74 HG2 GLU 11 2HG GLU 11 -3.158 6.113 -5.120
75 HG3 GLU 11 1HG GLU 11 -4.055 7.284 -4.157
76 H GLY 12 H GLY 12 -0.661 8.746 -3.450
77 HA2 GLY 12 2HA GLY 12 -0.708 9.497 -1.252
78 HA3 GLY 12 1HA GLY 12 -2.343 10.094 -1.520
79 H PHE 13 H PHE 13 -1.565 8.642 0.802
80 HA PHE 13 HA PHE 13 -2.492 5.949 0.492
81 HD1 PHE 13 1HD PHE 13 -4.350 6.312 3.898
82 HD2 PHE 13 2HD PHE 13 -0.860 4.281 2.558
83 HE1 PHE 13 1HE PHE 13 -5.131 4.257 4.996
84 HE2 PHE 13 2HE PHE 13 -1.626 2.225 3.663
85 HZ PHE 13 HZ PHE 13 -3.769 2.207 4.879
86 HB2 PHE 13 2HB PHE 13 -1.009 6.667 2.396
87 HB3 PHE 13 1HB PHE 13 -2.384 7.540 3.067
88 H ASN 14 H ASN 14 -4.467 5.639 -0.206
89 HA ASN 14 HA ASN 14 -6.619 7.390 0.564
90 HB2 ASN 14 2HB ASN 14 -7.961 5.592 -0.766
91 HB3 ASN 14 1HB ASN 14 -6.921 6.713 -1.624
92 HD21 ASN 14 1HD2 ASN 14 -6.759 3.492 -0.089
93 HD22 ASN 14 2HD2 ASN 14 -5.810 2.774 -1.347
94 H VAL 15 H VAL 15 -7.557 7.169 2.477
95 HA VAL 15 HA VAL 15 -7.407 4.607 3.853
96 HB VAL 15 HB VAL 15 -8.800 6.843 5.196
97 HG11 VAL 15 1HG1 VAL 15 -7.082 4.557 5.850
98 HG12 VAL 15 2HG1 VAL 15 -8.412 5.278 6.759
99 HG13 VAL 15 3HG1 VAL 15 -6.799 5.995 6.832
100 HG21 VAL 15 3HG2 VAL 15 -6.248 7.278 3.918
101 HG22 VAL 15 1HG2 VAL 15 -6.114 7.422 5.671
102 HG23 VAL 15 2HG2 VAL 15 -7.277 8.415 4.790
103 H ASP 16 H ASP 16 -9.413 5.848 1.660
104 HA ASP 16 HA ASP 16 -11.644 4.256 2.674
105 HB2 ASP 16 2HB ASP 16 -12.062 6.731 3.091
106 HB3 ASP 16 1HB ASP 16 -12.134 6.917 1.340
107 H LYS 17 H LYS 17 -9.926 3.229 0.941
108 HA LYS 17 HA LYS 17 -11.619 3.071 -1.462
109 HB2 LYS 17 2HB LYS 17 -8.601 2.876 -1.379
110 HB3 LYS 17 1HB LYS 17 -9.585 2.467 -2.778
111 HG2 LYS 17 2HG LYS 17 -9.747 5.184 -1.540
112 HG3 LYS 17 1HG LYS 17 -8.451 4.771 -2.665
113 HD2 LYS 17 2HD LYS 17 -10.929 3.910 -3.779
114 HD3 LYS 17 1HD LYS 17 -11.105 5.582 -3.240
115 HE2 LYS 17 2HE LYS 17 -8.924 4.527 -5.037
116 HE3 LYS 17 1HE LYS 17 -10.333 5.442 -5.563
117 HZ1 LYS 17 3HZ LYS 17 -9.021 6.876 -3.522
118 HZ2 LYS 17 1HZ LYS 17 -9.257 7.315 -5.143
119 HZ3 LYS 17 2HZ LYS 17 -7.872 6.439 -4.697
120 H LYS 18 H LYS 18 -10.560 0.899 -2.667
121 HA LYS 18 HA LYS 18 -11.531 -1.237 -1.074
122 HB2 LYS 18 2HB LYS 18 -9.949 -1.365 -3.654
123 HB3 LYS 18 1HB LYS 18 -10.899 -2.668 -2.955
124 HG2 LYS 18 2HG LYS 18 -12.450 -1.942 -4.409
125 HG3 LYS 18 1HG LYS 18 -12.800 -0.780 -3.129
126 HD2 LYS 18 2HD LYS 18 -10.715 0.369 -4.591
127 HD3 LYS 18 1HD LYS 18 -11.786 -0.335 -5.805
128 HE2 LYS 18 2HE LYS 18 -12.719 1.465 -3.575
129 HE3 LYS 18 1HE LYS 18 -12.303 2.038 -5.189
130 HZ1 LYS 18 3HZ LYS 18 -14.471 0.120 -4.500
131 HZ2 LYS 18 1HZ LYS 18 -14.033 0.558 -6.082
132 HZ3 LYS 18 2HZ LYS 18 -14.662 1.723 -5.020
133 H CYS 19 H CYS 19 -8.290 -0.673 -2.449
134 HA CYS 19 HA CYS 19 -7.159 -1.767 0.021
135 HB2 CYS 19 2HB CYS 19 -5.872 -3.324 -1.024
136 HB3 CYS 19 1HB CYS 19 -7.127 -3.230 -2.254
137 H GLN 20 H GLN 20 -4.958 -0.945 0.468
138 HA GLN 20 HA GLN 20 -4.595 1.699 -0.770
139 HB2 GLN 20 2HB GLN 20 -3.760 1.893 1.919
140 HB3 GLN 20 1HB GLN 20 -5.117 2.706 1.152
141 HG2 GLN 20 2HG GLN 20 -5.340 -0.053 2.308
142 HG3 GLN 20 1HG GLN 20 -5.553 1.395 3.286
143 HE21 GLN 20 1HE2 GLN 20 -7.579 -0.279 3.249
144 HE22 GLN 20 2HE2 GLN 20 -8.882 0.296 2.272
145 H CYS 21 H CYS 21 -2.513 2.408 -1.091
146 HA CYS 21 HA CYS 21 -0.345 0.881 0.160
147 HB2 CYS 21 2HB CYS 21 -0.529 1.545 -2.784
148 HB3 CYS 21 1HB CYS 21 0.929 0.966 -1.990
149 H ASP 22 H ASP 22 0.770 2.320 1.284
150 HA ASP 22 HA ASP 22 2.086 4.443 -0.158
151 HB2 ASP 22 2HB ASP 22 0.009 5.498 0.899
152 HB3 ASP 22 1HB ASP 22 0.738 5.141 2.460
153 H GLU 23 H GLU 23 3.655 5.526 1.727
154 HA GLU 23 HA GLU 23 5.115 3.403 2.942
155 HB2 GLU 23 2HB GLU 23 6.617 5.005 3.601
156 HB3 GLU 23 1HB GLU 23 5.814 5.889 2.314
157 HG2 GLU 23 2HG GLU 23 4.927 7.391 3.722
158 HG3 GLU 23 1HG GLU 23 4.578 6.183 4.956
159 H LEU 24 H LEU 24 2.393 5.322 3.781
160 HA LEU 24 HA LEU 24 2.420 4.737 6.599
161 HG LEU 24 HG LEU 24 1.971 7.658 5.570
162 HB2 LEU 24 2HB LEU 24 0.499 6.052 4.717
163 HB3 LEU 24 1HB LEU 24 -0.044 5.571 6.311
164 HD11 LEU 24 1HD1 LEU 24 0.524 8.818 7.403
165 HD12 LEU 24 2HD1 LEU 24 -0.632 7.541 7.019
166 HD13 LEU 24 3HD1 LEU 24 -0.091 8.652 5.758
167 HD21 LEU 24 3HD2 LEU 24 3.120 6.412 7.254
168 HD22 LEU 24 1HD2 LEU 24 1.664 6.302 8.244
169 HD23 LEU 24 2HD2 LEU 24 2.461 7.860 8.016
170 H CYS 25 H CYS 25 2.094 2.666 4.198
171 HA CYS 25 HA CYS 25 -0.362 1.367 4.618
172 HB2 CYS 25 2HB CYS 25 0.409 0.218 2.864
173 HB3 CYS 25 1HB CYS 25 2.007 0.915 3.088
174 H SER 26 H SER 26 2.778 1.033 6.174
175 HA SER 26 HA SER 26 2.069 -1.140 7.856
176 HG SER 26 HG SER 26 5.205 1.104 7.184
177 HB2 SER 26 2HB SER 26 4.157 0.541 8.933
178 HB3 SER 26 1HB SER 26 4.276 -1.081 8.245
179 H TYR 27 H TYR 27 1.637 2.288 8.021
180 HA TYR 27 HA TYR 27 1.357 2.562 10.822
181 HD1 TYR 27 2HD TYR 27 1.238 4.866 12.096
182 HD2 TYR 27 1HD TYR 27 -1.480 5.483 8.881
183 HE1 TYR 27 2HE TYR 27 -0.108 6.353 13.521
184 HE2 TYR 27 1HE TYR 27 -2.834 6.969 10.294
185 HH TYR 27 HH TYR 27 -3.093 7.103 13.096
186 HB2 TYR 27 2HB TYR 27 1.820 4.515 9.525
187 HB3 TYR 27 1HB TYR 27 0.423 4.244 8.492
188 H TYR 28 H TYR 28 -0.970 1.995 8.209
189 HA TYR 28 HA TYR 28 -3.127 1.764 10.174
190 HD1 TYR 28 1HD TYR 28 -5.492 3.001 9.752
191 HD2 TYR 28 2HD TYR 28 -2.609 4.169 6.855
192 HE1 TYR 28 1HE TYR 28 -6.166 5.350 10.042
193 HE2 TYR 28 2HE TYR 28 -3.259 6.521 7.140
194 HH TYR 28 HH TYR 28 -6.093 7.461 8.732
195 HB2 TYR 28 2HB TYR 28 -3.046 1.911 7.171
196 HB3 TYR 28 1HB TYR 28 -4.498 1.390 8.016
197 H GLN 29 H GLN 29 -0.935 -0.179 8.451
198 HA GLN 29 HA GLN 29 -0.731 -2.392 8.005
199 HB2 GLN 29 2HB GLN 29 -2.522 -2.582 10.429
200 HB3 GLN 29 1HB GLN 29 -1.727 -3.963 9.687
201 HG2 GLN 29 2HG GLN 29 0.164 -1.863 10.238
202 HG3 GLN 29 1HG GLN 29 -0.732 -2.302 11.688
203 HE21 GLN 29 1HE2 GLN 29 -0.863 -4.651 12.144
204 HE22 GLN 29 2HE2 GLN 29 0.541 -5.610 11.817
205 H SER 30 H SER 30 -2.439 -1.219 6.313
206 HA SER 30 HA SER 30 -4.377 -3.348 5.810
207 HG SER 30 HG SER 30 -4.745 -1.285 7.803
208 HB2 SER 30 2HB SER 30 -5.499 -0.745 5.139
209 HB3 SER 30 1HB SER 30 -6.217 -2.073 6.047
210 H CYS 31 H CYS 31 -2.004 -3.107 4.507
211 HA CYS 31 HA CYS 31 -2.523 -1.715 1.995
212 HB2 CYS 31 2HB CYS 31 -0.065 -3.099 1.850
213 HB3 CYS 31 1HB CYS 31 -0.309 -1.368 2.074
214 H CYS 32 H CYS 32 -2.367 -2.786 -0.030
215 HA CYS 32 HA CYS 32 -3.685 -5.288 -0.132
216 HB2 CYS 32 2HB CYS 32 -2.258 -4.534 -2.573
217 HB3 CYS 32 1HB CYS 32 -3.984 -4.761 -2.303
218 H THR 33 H THR 33 -2.879 -7.240 -1.176
219 HA THR 33 HA THR 33 -0.745 -8.276 0.271
220 HB THR 33 HB THR 33 -1.119 -9.891 -2.028
221 HG1 THR 33 1HG THR 33 -3.057 -9.294 -2.652
222 HG21 THR 33 3HG2 THR 33 -1.050 -10.205 0.676
223 HG22 THR 33 1HG2 THR 33 -1.553 -11.458 -0.461
224 HG23 THR 33 2HG2 THR 33 -2.763 -10.458 0.344
225 H ASP 34 H ASP 34 -0.815 -6.993 -3.008
226 HA ASP 34 HA ASP 34 1.982 -7.804 -3.371
227 HB2 ASP 34 2HB ASP 34 1.503 -7.169 -5.808
228 HB3 ASP 34 1HB ASP 34 0.727 -8.621 -5.189
229 H TYR 35 H TYR 35 1.184 -5.553 -1.734
230 HA TYR 35 HA TYR 35 1.576 -3.093 -3.057
231 HD1 TYR 35 1HD TYR 35 1.967 -0.696 -1.890
232 HD2 TYR 35 2HD TYR 35 3.445 -3.244 1.177
233 HE1 TYR 35 1HE TYR 35 3.395 1.125 -1.077
234 HE2 TYR 35 2HE TYR 35 4.884 -1.429 2.001
235 HH TYR 35 HH TYR 35 4.483 1.627 1.443
236 HB2 TYR 35 2HB TYR 35 0.699 -2.861 -0.909
237 HB3 TYR 35 1HB TYR 35 1.802 -4.045 -0.221
238 H THR 36 H THR 36 3.778 -5.364 -1.499
239 HA THR 36 HA THR 36 6.104 -3.792 -1.960
240 HB THR 36 HB THR 36 7.090 -6.268 -1.570
241 HG1 THR 36 1HG THR 36 5.386 -7.024 0.117
242 HG21 THR 36 3HG2 THR 36 6.780 -3.964 -0.124
243 HG22 THR 36 1HG2 THR 36 7.651 -5.399 0.424
244 HG23 THR 36 2HG2 THR 36 5.962 -5.159 0.883
245 H ALA 37 H ALA 37 4.388 -6.277 -3.709
246 HA ALA 37 HA ALA 37 6.436 -6.959 -5.527
247 HB1 ALA 37 3HB ALA 37 4.732 -8.523 -5.398
248 HB2 ALA 37 1HB ALA 37 4.417 -7.727 -6.937
249 HB3 ALA 37 2HB ALA 37 3.466 -7.301 -5.516
250 H GLU 38 H GLU 38 3.568 -4.860 -5.967
251 HA GLU 38 HA GLU 38 4.620 -4.022 -8.535
252 HB2 GLU 38 2HB GLU 38 2.016 -3.964 -7.199
253 HB3 GLU 38 1HB GLU 38 2.365 -2.516 -8.134
254 HG2 GLU 38 2HG GLU 38 2.339 -5.353 -9.129
255 HG3 GLU 38 1HG GLU 38 1.187 -4.076 -9.509
256 H CYS 39 H CYS 39 3.990 -2.523 -5.369
257 HA CYS 39 HA CYS 39 4.613 0.098 -6.396
258 HB2 CYS 39 2HB CYS 39 2.965 -0.135 -4.609
259 HB3 CYS 39 1HB CYS 39 4.178 -0.853 -3.558
260 H LYS 40 H LYS 40 6.168 -2.216 -4.188
261 HA LYS 40 HA LYS 40 8.331 -2.505 -3.545
262 HB2 LYS 40 2HB LYS 40 8.382 -2.547 -6.193
263 HB3 LYS 40 1HB LYS 40 9.305 -1.068 -5.975
264 HG2 LYS 40 2HG LYS 40 10.749 -3.024 -6.222
265 HG3 LYS 40 1HG LYS 40 10.954 -2.249 -4.650
266 HD2 LYS 40 2HD LYS 40 10.695 -4.305 -3.802
267 HD3 LYS 40 1HD LYS 40 8.983 -4.079 -4.147
268 HE2 LYS 40 2HE LYS 40 11.026 -5.464 -5.875
269 HE3 LYS 40 1HE LYS 40 9.670 -6.201 -5.022
270 HZ1 LYS 40 3HZ LYS 40 8.158 -4.933 -6.441
271 HZ2 LYS 40 1HZ LYS 40 9.167 -5.938 -7.359
272 HZ3 LYS 40 2HZ LYS 40 9.475 -4.276 -7.284
273 HA PRO 41 HA PRO 41 8.270 1.848 -1.830
274 HB2 PRO 41 2HB PRO 41 9.389 0.788 0.536
275 HB3 PRO 41 1HB PRO 41 7.704 1.233 0.273
276 HG2 PRO 41 2HG PRO 41 9.004 -1.438 0.118
277 HG3 PRO 41 1HG PRO 41 7.364 -1.014 0.639
278 HD2 PRO 41 2HD PRO 41 7.812 -2.146 -1.735
279 HD3 PRO 41 1HD PRO 41 6.577 -0.881 -1.544
280 H GLN 42 H GLN 42 10.793 -0.612 -1.274
281 HA GLN 42 HA GLN 42 13.059 -0.506 -1.223
282 HB2 GLN 42 2HB GLN 42 12.137 0.289 -3.723
283 HB3 GLN 42 1HB GLN 42 13.367 1.479 -3.320
284 HG2 GLN 42 2HG GLN 42 14.055 -0.647 -4.586
285 HG3 GLN 42 1HG GLN 42 15.054 -0.091 -3.243
286 HE21 GLN 42 1HE2 GLN 42 13.110 -2.596 -4.487
287 HE22 GLN 42 2HE2 GLN 42 13.270 -3.704 -3.164
288 H VAL 43 H VAL 43 12.211 0.992 0.781
289 HA VAL 43 HA VAL 43 13.523 3.596 0.619
290 HB VAL 43 HB VAL 43 12.035 2.439 2.980
291 HG11 VAL 43 1HG1 VAL 43 12.957 4.237 3.952
292 HG12 VAL 43 2HG1 VAL 43 11.752 5.152 3.051
293 HG13 VAL 43 3HG1 VAL 43 13.380 4.972 2.407
294 HG21 VAL 43 3HG2 VAL 43 10.870 2.918 0.571
295 HG22 VAL 43 1HG2 VAL 43 10.688 4.484 1.364
296 HG23 VAL 43 2HG2 VAL 43 10.042 3.029 2.126
297 H THR 44 H THR 44 15.640 3.606 1.018
298 HA THR 44 HA THR 44 16.941 1.523 2.499
299 HB THR 44 HB THR 44 18.603 3.844 2.075
300 HG1 THR 44 1HG THR 44 17.549 2.861 -0.360
301 HG21 THR 44 3HG2 THR 44 18.648 1.009 1.722
302 HG22 THR 44 1HG2 THR 44 20.001 2.142 1.729
303 HG23 THR 44 2HG2 THR 44 19.164 1.778 0.219
304 H ARG 45 H ARG 45 15.342 2.224 4.351
305 HA ARG 45 HA ARG 45 16.788 4.101 6.102
306 HE ARG 45 HE ARG 45 12.548 5.381 8.556
307 HB2 ARG 45 2HB ARG 45 14.351 4.627 5.113
308 HB3 ARG 45 1HB ARG 45 13.875 3.666 6.507
309 HG2 ARG 45 2HG ARG 45 14.993 5.185 8.000
310 HG3 ARG 45 1HG ARG 45 15.632 6.110 6.639
311 HD2 ARG 45 2HD ARG 45 13.813 7.389 6.793
312 HD3 ARG 45 1HD ARG 45 12.898 6.010 6.181
313 HH11 ARG 45 1HH1 ARG 45 13.302 8.702 7.716
314 HH12 ARG 45 2HH1 ARG 45 12.590 9.358 9.160
315 HH21 ARG 45 1HH2 ARG 45 11.604 6.248 10.441
316 HH22 ARG 45 2HH2 ARG 45 11.625 7.967 10.706
317 H GLY 46 H GLY 46 13.963 2.405 7.202
318 HA2 GLY 46 2HA GLY 46 13.685 0.711 8.733
319 HA3 GLY 46 1HA GLY 46 15.246 0.082 8.218
320 H ASP 47 H ASP 47 16.157 -0.367 10.154
321 HA ASP 47 HA ASP 47 17.192 1.849 11.653
322 HB2 ASP 47 2HB ASP 47 15.146 1.746 12.866
323 HB3 ASP 47 1HB ASP 47 15.156 -0.014 12.885
Start of MODEL 17
1 HA ASP 1 HA ASP 1 -9.012 -0.282 -5.887
2 H1 ASP 1 1HT ASP 1 -11.333 -1.305 -7.355
3 H2 ASP 1 2HT ASP 1 -9.836 -2.081 -7.497
4 H3 ASP 1 3HT ASP 1 -9.987 -0.445 -7.930
5 HB2 ASP 1 2HB ASP 1 -10.813 1.184 -5.704
6 HB3 ASP 1 1HB ASP 1 -12.000 -0.116 -5.686
7 H GLN 2 H GLN 2 -11.591 -2.743 -5.673
8 HA GLN 2 HA GLN 2 -10.639 -3.699 -3.134
9 HB2 GLN 2 2HB GLN 2 -12.816 -4.448 -5.025
10 HB3 GLN 2 1HB GLN 2 -12.309 -5.632 -3.826
11 HG2 GLN 2 2HG GLN 2 -12.587 -3.247 -2.415
12 HG3 GLN 2 1HG GLN 2 -13.967 -3.303 -3.512
13 HE21 GLN 2 1HE2 GLN 2 -15.506 -4.875 -3.264
14 HE22 GLN 2 2HE2 GLN 2 -15.602 -5.886 -1.859
15 H GLU 3 H GLU 3 -9.465 -4.102 -6.185
16 HA GLU 3 HA GLU 3 -8.603 -6.860 -5.803
17 HB2 GLU 3 2HB GLU 3 -7.867 -5.081 -8.119
18 HB3 GLU 3 1HB GLU 3 -7.911 -6.837 -8.065
19 HG2 GLU 3 2HG GLU 3 -9.793 -6.353 -9.279
20 HG3 GLU 3 1HG GLU 3 -10.448 -6.499 -7.648
21 H SER 4 H SER 4 -6.167 -6.565 -7.259
22 HA SER 4 HA SER 4 -4.416 -6.061 -5.100
23 HG SER 4 HG SER 4 -4.681 -8.401 -6.463
24 HB2 SER 4 2HB SER 4 -3.423 -6.283 -7.896
25 HB3 SER 4 1HB SER 4 -2.820 -7.043 -6.422
26 H CYS 5 H CYS 5 -2.399 -4.778 -5.440
27 HA CYS 5 HA CYS 5 -3.100 -2.048 -6.197
28 HB2 CYS 5 2HB CYS 5 -2.007 -2.562 -4.003
29 HB3 CYS 5 1HB CYS 5 -0.582 -3.101 -4.884
30 H LYS 6 H LYS 6 -2.513 -1.203 -8.107
31 HA LYS 6 HA LYS 6 -0.453 -2.581 -9.669
32 HB2 LYS 6 2HB LYS 6 -1.427 -1.719 -11.604
33 HB3 LYS 6 1HB LYS 6 -2.817 -2.023 -10.577
34 HG2 LYS 6 2HG LYS 6 -3.449 0.090 -10.786
35 HG3 LYS 6 1HG LYS 6 -1.923 0.630 -10.085
36 HD2 LYS 6 2HD LYS 6 -1.410 -0.161 -12.758
37 HD3 LYS 6 1HD LYS 6 -2.838 0.875 -12.771
38 HE2 LYS 6 2HE LYS 6 -1.537 2.663 -12.546
39 HE3 LYS 6 1HE LYS 6 -0.955 2.042 -11.002
40 HZ1 LYS 6 3HZ LYS 6 0.540 2.437 -13.247
41 HZ2 LYS 6 1HZ LYS 6 0.297 0.758 -13.233
42 HZ3 LYS 6 2HZ LYS 6 1.000 1.527 -11.894
43 H GLY 7 H GLY 7 -0.454 -0.362 -7.429
44 HA2 GLY 7 2HA GLY 7 1.558 0.984 -7.107
45 HA3 GLY 7 1HA GLY 7 1.457 1.409 -8.811
46 H ARG 8 H ARG 8 -0.779 1.417 -6.043
47 HA ARG 8 HA ARG 8 -1.975 3.896 -6.978
48 HE ARG 8 HE ARG 8 -4.769 -0.701 -6.759
49 HB2 ARG 8 2HB ARG 8 -2.699 2.745 -4.327
50 HB3 ARG 8 1HB ARG 8 -3.730 3.457 -5.560
51 HG2 ARG 8 2HG ARG 8 -2.801 1.203 -6.800
52 HG3 ARG 8 1HG ARG 8 -2.972 0.683 -5.124
53 HD2 ARG 8 2HD ARG 8 -5.289 1.767 -5.230
54 HD3 ARG 8 1HD ARG 8 -5.062 1.766 -6.980
55 HH11 ARG 8 1HH1 ARG 8 -6.601 1.111 -4.394
56 HH12 ARG 8 2HH1 ARG 8 -7.523 -0.264 -3.864
57 HH21 ARG 8 1HH2 ARG 8 -5.968 -2.525 -6.069
58 HH22 ARG 8 2HH2 ARG 8 -7.159 -2.339 -4.817
59 H CYS 9 H CYS 9 0.772 3.288 -5.527
60 HA CYS 9 HA CYS 9 0.791 5.107 -3.343
61 HB2 CYS 9 2HB CYS 9 3.161 4.192 -4.980
62 HB3 CYS 9 1HB CYS 9 3.153 4.735 -3.302
63 H THR 10 H THR 10 0.508 5.580 -6.616
64 HA THR 10 HA THR 10 1.841 8.120 -6.807
65 HB THR 10 HB THR 10 0.374 8.318 -8.898
66 HG1 THR 10 1HG THR 10 -1.270 6.940 -8.698
67 HG21 THR 10 3HG2 THR 10 1.615 5.990 -9.725
68 HG22 THR 10 1HG2 THR 10 2.590 6.507 -8.350
69 HG23 THR 10 2HG2 THR 10 2.337 7.599 -9.712
70 H GLU 11 H GLU 11 -1.171 6.887 -5.709
71 HA GLU 11 HA GLU 11 -2.504 9.486 -5.791
72 HB2 GLU 11 2HB GLU 11 -3.833 7.106 -4.604
73 HB3 GLU 11 1HB GLU 11 -4.496 8.357 -5.643
74 HG2 GLU 11 2HG GLU 11 -2.582 6.307 -6.690
75 HG3 GLU 11 1HG GLU 11 -4.309 5.983 -6.565
76 H GLY 12 H GLY 12 -0.870 7.364 -3.645
77 HA2 GLY 12 2HA GLY 12 -0.156 7.881 -1.469
78 HA3 GLY 12 1HA GLY 12 -1.343 9.180 -1.415
79 H PHE 13 H PHE 13 -1.321 7.783 0.796
80 HA PHE 13 HA PHE 13 -2.915 5.418 0.715
81 HD1 PHE 13 2HD PHE 13 -4.832 5.801 3.466
82 HD2 PHE 13 1HD PHE 13 -0.982 4.000 3.332
83 HE1 PHE 13 2HE PHE 13 -5.720 3.836 4.644
84 HE2 PHE 13 1HE PHE 13 -1.853 2.034 4.512
85 HZ PHE 13 HZ PHE 13 -4.228 1.940 5.169
86 HB2 PHE 13 2HB PHE 13 -1.233 6.143 2.547
87 HB3 PHE 13 1HB PHE 13 -2.564 7.113 3.173
88 H ASN 14 H ASN 14 -4.925 5.563 -0.010
89 HA ASN 14 HA ASN 14 -6.678 7.678 0.995
90 HB2 ASN 14 2HB ASN 14 -6.692 6.892 -1.458
91 HB3 ASN 14 1HB ASN 14 -7.475 5.445 -0.845
92 HD21 ASN 14 1HD2 ASN 14 -7.880 8.850 0.014
93 HD22 ASN 14 2HD2 ASN 14 -9.574 8.890 -0.341
94 H VAL 15 H VAL 15 -7.365 7.254 2.973
95 HA VAL 15 HA VAL 15 -7.796 4.575 3.922
96 HB VAL 15 HB VAL 15 -9.000 6.851 5.406
97 HG11 VAL 15 1HG1 VAL 15 -7.177 5.260 6.907
98 HG12 VAL 15 2HG1 VAL 15 -8.180 4.195 5.924
99 HG13 VAL 15 3HG1 VAL 15 -8.934 5.341 7.032
100 HG21 VAL 15 3HG2 VAL 15 -6.287 6.946 4.451
101 HG22 VAL 15 1HG2 VAL 15 -6.320 6.842 6.211
102 HG23 VAL 15 2HG2 VAL 15 -7.186 8.141 5.386
103 H ASP 16 H ASP 16 -9.451 6.566 1.911
104 HA ASP 16 HA ASP 16 -12.096 5.634 2.642
105 HB2 ASP 16 2HB ASP 16 -11.740 8.006 1.956
106 HB3 ASP 16 1HB ASP 16 -11.284 7.432 0.356
107 H LYS 17 H LYS 17 -9.533 4.529 0.878
108 HA LYS 17 HA LYS 17 -11.162 3.185 -1.141
109 HB2 LYS 17 2HB LYS 17 -8.315 3.871 -0.838
110 HB3 LYS 17 1HB LYS 17 -8.611 2.291 -1.547
111 HG2 LYS 17 2HG LYS 17 -9.211 5.001 -2.612
112 HG3 LYS 17 1HG LYS 17 -8.502 3.601 -3.417
113 HD2 LYS 17 2HD LYS 17 -10.523 3.421 -4.381
114 HD3 LYS 17 1HD LYS 17 -10.989 2.670 -2.854
115 HE2 LYS 17 2HE LYS 17 -12.532 4.477 -3.691
116 HE3 LYS 17 1HE LYS 17 -11.938 4.689 -2.046
117 HZ1 LYS 17 3HZ LYS 17 -11.880 6.596 -3.917
118 HZ2 LYS 17 1HZ LYS 17 -10.332 5.933 -4.120
119 HZ3 LYS 17 2HZ LYS 17 -10.807 6.535 -2.606
120 H LYS 18 H LYS 18 -10.795 0.811 -1.456
121 HA LYS 18 HA LYS 18 -11.169 -0.426 1.141
122 HB2 LYS 18 2HB LYS 18 -11.736 -1.172 -1.684
123 HB3 LYS 18 1HB LYS 18 -11.529 -2.475 -0.524
124 HG2 LYS 18 2HG LYS 18 -13.891 -1.706 -0.923
125 HG3 LYS 18 1HG LYS 18 -13.369 -1.764 0.760
126 HD2 LYS 18 2HD LYS 18 -14.030 0.349 0.970
127 HD3 LYS 18 1HD LYS 18 -12.741 0.816 -0.137
128 HE2 LYS 18 2HE LYS 18 -15.649 0.554 -0.603
129 HE3 LYS 18 1HE LYS 18 -14.486 1.683 -1.297
130 HZ1 LYS 18 3HZ LYS 18 -14.957 -1.137 -2.089
131 HZ2 LYS 18 1HZ LYS 18 -13.637 -0.219 -2.643
132 HZ3 LYS 18 2HZ LYS 18 -15.222 0.253 -3.023
133 H CYS 19 H CYS 19 -8.905 -0.562 -1.548
134 HA CYS 19 HA CYS 19 -7.073 -1.991 0.270
135 HB2 CYS 19 2HB CYS 19 -7.816 -3.022 -2.100
136 HB3 CYS 19 1HB CYS 19 -6.495 -1.998 -2.650
137 H GLN 20 H GLN 20 -5.082 -1.115 0.562
138 HA GLN 20 HA GLN 20 -4.675 1.543 -0.628
139 HB2 GLN 20 2HB GLN 20 -4.094 0.800 2.245
140 HB3 GLN 20 1HB GLN 20 -3.945 2.390 1.517
141 HG2 GLN 20 2HG GLN 20 -5.903 2.646 2.621
142 HG3 GLN 20 1HG GLN 20 -6.517 2.065 1.071
143 HE21 GLN 20 1HE2 GLN 20 -8.131 1.852 3.194
144 HE22 GLN 20 2HE2 GLN 20 -8.264 0.209 3.721
145 H CYS 21 H CYS 21 -2.597 1.983 -1.300
146 HA CYS 21 HA CYS 21 -0.473 0.421 -0.003
147 HB2 CYS 21 2HB CYS 21 0.383 1.124 -2.633
148 HB3 CYS 21 1HB CYS 21 0.177 -0.485 -1.943
149 H ASP 22 H ASP 22 0.637 1.799 1.141
150 HA ASP 22 HA ASP 22 1.960 3.996 -0.153
151 HB2 ASP 22 2HB ASP 22 -0.200 4.971 0.758
152 HB3 ASP 22 1HB ASP 22 0.391 4.567 2.366
153 H GLU 23 H GLU 23 3.486 5.043 1.622
154 HA GLU 23 HA GLU 23 4.885 3.015 3.041
155 HB2 GLU 23 2HB GLU 23 5.952 5.117 2.276
156 HB3 GLU 23 1HB GLU 23 4.957 6.022 3.410
157 HG2 GLU 23 2HG GLU 23 7.151 5.758 4.325
158 HG3 GLU 23 1HG GLU 23 6.018 4.789 5.267
159 H LEU 24 H LEU 24 2.212 5.122 3.732
160 HA LEU 24 HA LEU 24 2.217 4.720 6.574
161 HG LEU 24 HG LEU 24 2.297 7.105 5.854
162 HB2 LEU 24 2HB LEU 24 0.270 5.887 4.615
163 HB3 LEU 24 1HB LEU 24 -0.208 5.588 6.278
164 HD11 LEU 24 1HD1 LEU 24 -0.267 7.929 4.748
165 HD12 LEU 24 2HD1 LEU 24 1.345 8.589 4.481
166 HD13 LEU 24 3HD1 LEU 24 0.404 9.098 5.883
167 HD21 LEU 24 3HD2 LEU 24 1.653 6.700 8.097
168 HD22 LEU 24 1HD2 LEU 24 -0.007 7.205 7.783
169 HD23 LEU 24 2HD2 LEU 24 1.296 8.395 7.770
170 H CYS 25 H CYS 25 1.816 2.517 4.286
171 HA CYS 25 HA CYS 25 -0.638 1.260 4.832
172 HB2 CYS 25 2HB CYS 25 0.053 -0.074 3.181
173 HB3 CYS 25 1HB CYS 25 1.596 0.770 3.188
174 H SER 26 H SER 26 2.534 0.985 6.326
175 HA SER 26 HA SER 26 1.900 -1.194 8.017
176 HG SER 26 HG SER 26 5.031 0.974 7.248
177 HB2 SER 26 2HB SER 26 3.949 0.617 9.030
178 HB3 SER 26 1HB SER 26 4.090 -1.067 8.514
179 H TYR 27 H TYR 27 1.394 2.229 8.212
180 HA TYR 27 HA TYR 27 1.050 2.398 11.029
181 HD1 TYR 27 1HD TYR 27 0.897 4.675 12.395
182 HD2 TYR 27 2HD TYR 27 -1.701 5.379 9.102
183 HE1 TYR 27 1HE TYR 27 -0.532 6.076 13.823
184 HE2 TYR 27 2HE TYR 27 -3.135 6.780 10.518
185 HH TYR 27 HH TYR 27 -2.329 8.181 13.131
186 HB2 TYR 27 2HB TYR 27 1.591 4.413 9.869
187 HB3 TYR 27 1HB TYR 27 0.255 4.204 8.742
188 H TYR 28 H TYR 28 -1.228 2.152 8.312
189 HA TYR 28 HA TYR 28 -3.472 1.919 10.148
190 HD1 TYR 28 2HD TYR 28 -5.517 3.378 9.752
191 HD2 TYR 28 1HD TYR 28 -2.757 4.191 6.622
192 HE1 TYR 28 2HE TYR 28 -5.988 5.781 9.970
193 HE2 TYR 28 1HE TYR 28 -3.203 6.599 6.838
194 HH TYR 28 HH TYR 28 -5.229 7.858 9.419
195 HB2 TYR 28 2HB TYR 28 -3.247 1.993 7.140
196 HB3 TYR 28 1HB TYR 28 -4.763 1.626 7.952
197 H GLN 29 H GLN 29 -1.206 -0.120 8.758
198 HA GLN 29 HA GLN 29 -1.028 -2.347 8.349
199 HB2 GLN 29 2HB GLN 29 -2.932 -2.209 10.650
200 HB3 GLN 29 1HB GLN 29 -2.678 -3.762 9.865
201 HG2 GLN 29 2HG GLN 29 -0.602 -2.030 11.178
202 HG3 GLN 29 1HG GLN 29 -1.203 -3.590 11.738
203 HE21 GLN 29 1HE2 GLN 29 1.090 -1.977 9.877
204 HE22 GLN 29 2HE2 GLN 29 1.821 -3.354 9.119
205 H SER 30 H SER 30 -2.346 -1.111 6.445
206 HA SER 30 HA SER 30 -4.331 -3.037 5.573
207 HG SER 30 HG SER 30 -5.112 -1.577 7.567
208 HB2 SER 30 2HB SER 30 -4.891 -0.058 5.501
209 HB3 SER 30 1HB SER 30 -5.960 -1.349 4.951
210 H CYS 31 H CYS 31 -2.385 -3.528 4.330
211 HA CYS 31 HA CYS 31 -2.326 -1.844 1.923
212 HB2 CYS 31 2HB CYS 31 0.059 -3.330 1.969
213 HB3 CYS 31 1HB CYS 31 -0.117 -1.594 2.178
214 H CYS 32 H CYS 32 -2.205 -2.951 -0.073
215 HA CYS 32 HA CYS 32 -3.182 -5.645 -0.093
216 HB2 CYS 32 2HB CYS 32 -1.925 -4.364 -2.497
217 HB3 CYS 32 1HB CYS 32 -3.332 -5.419 -2.409
218 H THR 33 H THR 33 -2.003 -7.535 -0.565
219 HA THR 33 HA THR 33 0.532 -7.693 0.558
220 HB THR 33 HB THR 33 0.016 -9.787 -1.410
221 HG1 THR 33 1HG THR 33 -1.878 -10.412 0.110
222 HG21 THR 33 3HG2 THR 33 -0.136 -11.015 0.938
223 HG22 THR 33 1HG2 THR 33 0.603 -9.514 1.496
224 HG23 THR 33 2HG2 THR 33 1.411 -10.493 0.269
225 H ASP 34 H ASP 34 -0.391 -7.098 -2.744
226 HA ASP 34 HA ASP 34 2.252 -7.607 -3.806
227 HB2 ASP 34 2HB ASP 34 0.927 -6.416 -5.846
228 HB3 ASP 34 1HB ASP 34 0.825 -8.136 -5.486
229 H TYR 35 H TYR 35 1.728 -5.403 -1.810
230 HA TYR 35 HA TYR 35 1.889 -2.910 -3.161
231 HD1 TYR 35 1HD TYR 35 1.995 -0.578 -2.167
232 HD2 TYR 35 2HD TYR 35 3.995 -2.685 0.932
233 HE1 TYR 35 1HE TYR 35 3.234 1.465 -1.598
234 HE2 TYR 35 2HE TYR 35 5.251 -0.649 1.516
235 HH TYR 35 HH TYR 35 5.382 1.596 1.201
236 HB2 TYR 35 2HB TYR 35 1.096 -2.808 -0.943
237 HB3 TYR 35 1HB TYR 35 2.416 -3.796 -0.328
238 H THR 36 H THR 36 4.285 -4.977 -1.584
239 HA THR 36 HA THR 36 6.457 -3.223 -2.155
240 HB THR 36 HB THR 36 7.643 -5.596 -1.563
241 HG1 THR 36 1HG THR 36 5.633 -6.698 -1.402
242 HG21 THR 36 3HG2 THR 36 7.645 -3.301 -0.413
243 HG22 THR 36 1HG2 THR 36 7.900 -4.721 0.604
244 HG23 THR 36 2HG2 THR 36 6.317 -3.939 0.557
245 H ALA 37 H ALA 37 5.026 -5.982 -3.736
246 HA ALA 37 HA ALA 37 7.129 -6.472 -5.572
247 HB1 ALA 37 3HB ALA 37 4.698 -7.241 -6.761
248 HB2 ALA 37 1HB ALA 37 4.522 -7.512 -5.027
249 HB3 ALA 37 2HB ALA 37 5.858 -8.258 -5.906
250 H GLU 38 H GLU 38 4.157 -4.527 -5.768
251 HA GLU 38 HA GLU 38 4.773 -3.808 -8.511
252 HB2 GLU 38 2HB GLU 38 2.417 -3.266 -6.721
253 HB3 GLU 38 1HB GLU 38 2.588 -2.519 -8.305
254 HG2 GLU 38 2HG GLU 38 2.396 -5.458 -7.697
255 HG3 GLU 38 1HG GLU 38 1.183 -4.451 -8.486
256 H CYS 39 H CYS 39 4.214 -2.013 -5.458
257 HA CYS 39 HA CYS 39 4.912 0.475 -6.722
258 HB2 CYS 39 2HB CYS 39 4.011 -0.376 -4.026
259 HB3 CYS 39 1HB CYS 39 4.966 1.105 -4.102
260 H LYS 40 H LYS 40 6.447 -1.764 -4.482
261 HA LYS 40 HA LYS 40 8.600 -2.175 -3.948
262 HB2 LYS 40 2HB LYS 40 8.588 -1.548 -6.678
263 HB3 LYS 40 1HB LYS 40 9.958 -0.679 -6.002
264 HG2 LYS 40 2HG LYS 40 9.431 -3.633 -5.768
265 HG3 LYS 40 1HG LYS 40 10.638 -2.862 -6.798
266 HD2 LYS 40 2HD LYS 40 11.991 -2.296 -5.013
267 HD3 LYS 40 1HD LYS 40 10.662 -2.351 -3.854
268 HE2 LYS 40 2HE LYS 40 11.989 -4.704 -5.194
269 HE3 LYS 40 1HE LYS 40 12.146 -4.231 -3.504
270 HZ1 LYS 40 3HZ LYS 40 10.393 -5.489 -3.058
271 HZ2 LYS 40 1HZ LYS 40 10.189 -5.864 -4.699
272 HZ3 LYS 40 2HZ LYS 40 9.426 -4.506 -4.041
273 HA PRO 41 HA PRO 41 9.528 1.797 -1.926
274 HB2 PRO 41 2HB PRO 41 9.799 0.324 0.519
275 HB3 PRO 41 1HB PRO 41 8.533 1.470 0.076
276 HG2 PRO 41 2HG PRO 41 8.161 -1.239 0.436
277 HG3 PRO 41 1HG PRO 41 7.086 -0.183 -0.496
278 HD2 PRO 41 2HD PRO 41 9.212 -2.055 -1.452
279 HD3 PRO 41 1HD PRO 41 7.629 -1.678 -2.170
280 H GLN 42 H GLN 42 11.260 1.294 0.386
281 HA GLN 42 HA GLN 42 13.618 0.148 -0.941
282 HB2 GLN 42 2HB GLN 42 15.014 1.983 -0.172
283 HB3 GLN 42 1HB GLN 42 13.703 2.603 -1.165
284 HG2 GLN 42 2HG GLN 42 13.249 4.037 0.453
285 HG3 GLN 42 1HG GLN 42 12.726 2.676 1.444
286 HE21 GLN 42 1HE2 GLN 42 13.436 4.266 3.123
287 HE22 GLN 42 2HE2 GLN 42 15.101 4.202 3.624
288 H VAL 43 H VAL 43 11.681 -0.586 1.300
289 HA VAL 43 HA VAL 43 11.712 -1.597 3.336
290 HB VAL 43 HB VAL 43 14.726 -1.601 3.020
291 HG11 VAL 43 1HG1 VAL 43 12.903 -2.967 4.980
292 HG12 VAL 43 2HG1 VAL 43 14.288 -1.927 5.311
293 HG13 VAL 43 3HG1 VAL 43 14.536 -3.541 4.644
294 HG21 VAL 43 3HG2 VAL 43 12.737 -3.800 2.466
295 HG22 VAL 43 1HG2 VAL 43 14.485 -3.884 2.256
296 HG23 VAL 43 2HG2 VAL 43 13.524 -2.815 1.233
297 H THR 44 H THR 44 10.918 -0.131 4.704
298 HA THR 44 HA THR 44 12.146 2.342 5.290
299 HB THR 44 HB THR 44 10.149 1.365 7.206
300 HG1 THR 44 1HG THR 44 8.704 1.850 5.052
301 HG21 THR 44 3HG2 THR 44 10.372 3.646 7.282
302 HG22 THR 44 1HG2 THR 44 9.045 3.511 6.125
303 HG23 THR 44 2HG2 THR 44 10.691 3.784 5.552
304 H ARG 45 H ARG 45 14.261 1.664 6.036
305 HA ARG 45 HA ARG 45 14.201 1.065 8.919
306 HE ARG 45 HE ARG 45 18.605 0.426 8.219
307 HB2 ARG 45 2HB ARG 45 16.549 0.242 8.659
308 HB3 ARG 45 1HB ARG 45 15.355 -0.744 7.831
309 HG2 ARG 45 2HG ARG 45 15.997 0.107 5.711
310 HG3 ARG 45 1HG ARG 45 16.986 1.368 6.449
311 HD2 ARG 45 2HD ARG 45 17.511 -1.578 6.794
312 HD3 ARG 45 1HD ARG 45 18.255 -0.602 5.529
313 HH11 ARG 45 1HH1 ARG 45 19.926 -1.711 5.759
314 HH12 ARG 45 2HH1 ARG 45 21.561 -1.555 6.343
315 HH21 ARG 45 1HH2 ARG 45 20.734 0.590 8.984
316 HH22 ARG 45 2HH2 ARG 45 22.010 -0.278 8.179
317 H GLY 46 H GLY 46 14.580 2.806 10.081
318 HA2 GLY 46 2HA GLY 46 15.683 5.196 8.932
319 HA3 GLY 46 1HA GLY 46 15.191 4.967 10.603
320 H ASP 47 H ASP 47 16.939 2.558 10.777
321 HA ASP 47 HA ASP 47 19.561 3.888 10.853
322 HB2 ASP 47 2HB ASP 47 18.080 3.226 13.095
323 HB3 ASP 47 1HB ASP 47 19.156 1.844 12.918
Start of MODEL 18
1 HA ASP 1 HA ASP 1 -9.997 -6.053 0.702
2 H1 ASP 1 1HT ASP 1 -12.552 -7.026 -0.402
3 H2 ASP 1 2HT ASP 1 -12.221 -5.533 0.330
4 H3 ASP 1 3HT ASP 1 -12.228 -6.950 1.261
5 HB2 ASP 1 2HB ASP 1 -9.260 -8.415 -0.292
6 HB3 ASP 1 1HB ASP 1 -9.761 -8.225 1.385
7 H GLN 2 H GLN 2 -10.782 -8.193 -2.012
8 HA GLN 2 HA GLN 2 -10.234 -8.105 -4.211
9 HB2 GLN 2 2HB GLN 2 -11.287 -5.436 -3.598
10 HB3 GLN 2 1HB GLN 2 -10.217 -5.460 -4.993
11 HG2 GLN 2 2HG GLN 2 -11.858 -6.242 -6.249
12 HG3 GLN 2 1HG GLN 2 -11.972 -7.670 -5.222
13 HE21 GLN 2 1HE2 GLN 2 -14.219 -7.714 -5.620
14 HE22 GLN 2 2HE2 GLN 2 -15.291 -6.633 -4.798
15 H GLU 3 H GLU 3 -8.141 -8.835 -3.857
16 HA GLU 3 HA GLU 3 -6.045 -7.163 -2.958
17 HB2 GLU 3 2HB GLU 3 -5.864 -9.417 -2.391
18 HB3 GLU 3 1HB GLU 3 -6.276 -9.958 -4.010
19 HG2 GLU 3 2HG GLU 3 -4.018 -10.421 -3.771
20 HG3 GLU 3 1HG GLU 3 -4.086 -8.956 -4.751
21 H SER 4 H SER 4 -5.706 -5.436 -4.316
22 HA SER 4 HA SER 4 -3.932 -5.947 -6.467
23 HG SER 4 HG SER 4 -6.029 -7.110 -8.229
24 HB2 SER 4 2HB SER 4 -6.760 -5.475 -7.106
25 HB3 SER 4 1HB SER 4 -5.655 -4.379 -7.941
26 H CYS 5 H CYS 5 -2.461 -4.532 -5.690
27 HA CYS 5 HA CYS 5 -3.272 -1.730 -5.423
28 HB2 CYS 5 2HB CYS 5 -0.653 -3.129 -4.823
29 HB3 CYS 5 1HB CYS 5 -0.877 -1.386 -4.707
30 H LYS 6 H LYS 6 -1.882 -0.100 -6.607
31 HA LYS 6 HA LYS 6 -0.638 -1.126 -9.027
32 HB2 LYS 6 2HB LYS 6 -3.219 0.348 -8.968
33 HB3 LYS 6 1HB LYS 6 -2.074 0.791 -10.226
34 HG2 LYS 6 2HG LYS 6 -2.553 -2.098 -9.884
35 HG3 LYS 6 1HG LYS 6 -3.909 -1.150 -10.496
36 HD2 LYS 6 2HD LYS 6 -2.865 -1.668 -12.468
37 HD3 LYS 6 1HD LYS 6 -2.054 -0.150 -12.081
38 HE2 LYS 6 2HE LYS 6 -0.490 -1.924 -12.800
39 HE3 LYS 6 1HE LYS 6 -0.163 -1.337 -11.173
40 HZ1 LYS 6 3HZ LYS 6 -0.587 -3.323 -10.285
41 HZ2 LYS 6 1HZ LYS 6 -0.381 -3.924 -11.855
42 HZ3 LYS 6 2HZ LYS 6 -1.941 -3.612 -11.275
43 H GLY 7 H GLY 7 -1.794 2.141 -8.967
44 HA2 GLY 7 2HA GLY 7 0.990 3.047 -8.793
45 HA3 GLY 7 1HA GLY 7 -0.360 3.962 -9.460
46 H ARG 8 H ARG 8 -1.334 2.478 -6.701
47 HA ARG 8 HA ARG 8 -1.384 4.938 -5.247
48 HE ARG 8 HE ARG 8 -4.633 -0.610 -4.773
49 HB2 ARG 8 2HB ARG 8 -2.426 3.241 -3.465
50 HB3 ARG 8 1HB ARG 8 -3.371 3.930 -4.771
51 HG2 ARG 8 2HG ARG 8 -2.981 1.875 -6.088
52 HG3 ARG 8 1HG ARG 8 -2.125 1.189 -4.704
53 HD2 ARG 8 2HD ARG 8 -4.065 1.136 -3.384
54 HD3 ARG 8 1HD ARG 8 -4.922 2.253 -4.445
55 HH11 ARG 8 1HH1 ARG 8 -5.526 2.427 -6.275
56 HH12 ARG 8 2HH1 ARG 8 -6.449 1.677 -7.538
57 HH21 ARG 8 1HH2 ARG 8 -5.871 -1.601 -6.424
58 HH22 ARG 8 2HH2 ARG 8 -6.655 -0.603 -7.623
59 H CYS 9 H CYS 9 1.051 4.659 -5.500
60 HA CYS 9 HA CYS 9 1.783 4.337 -2.689
61 HB2 CYS 9 2HB CYS 9 2.649 2.464 -4.535
62 HB3 CYS 9 1HB CYS 9 4.016 3.570 -4.401
63 H THR 10 H THR 10 1.390 6.366 -5.051
64 HA THR 10 HA THR 10 3.426 8.186 -4.030
65 HB THR 10 HB THR 10 3.463 8.931 -6.641
66 HG1 THR 10 1HG THR 10 2.535 7.278 -7.649
67 HG21 THR 10 3HG2 THR 10 5.488 8.768 -5.479
68 HG22 THR 10 1HG2 THR 10 5.631 7.552 -6.748
69 HG23 THR 10 2HG2 THR 10 5.235 7.065 -5.099
70 H GLU 11 H GLU 11 0.345 7.646 -4.254
71 HA GLU 11 HA GLU 11 -0.429 10.256 -5.359
72 HB2 GLU 11 2HB GLU 11 -2.512 8.254 -4.668
73 HB3 GLU 11 1HB GLU 11 -2.444 9.382 -6.012
74 HG2 GLU 11 2HG GLU 11 -0.367 7.432 -6.280
75 HG3 GLU 11 1HG GLU 11 -1.916 6.633 -6.034
76 H GLY 12 H GLY 12 -0.321 8.349 -2.482
77 HA2 GLY 12 2HA GLY 12 -0.551 9.596 -0.361
78 HA3 GLY 12 1HA GLY 12 -1.967 10.363 -1.082
79 H PHE 13 H PHE 13 -1.719 8.669 1.357
80 HA PHE 13 HA PHE 13 -2.697 6.084 0.682
81 HD1 PHE 13 2HD PHE 13 -4.852 5.652 3.671
82 HD2 PHE 13 1HD PHE 13 -0.868 4.513 2.735
83 HE1 PHE 13 2HE PHE 13 -5.366 3.351 4.340
84 HE2 PHE 13 1HE PHE 13 -1.376 2.198 3.398
85 HZ PHE 13 HZ PHE 13 -3.629 1.610 4.200
86 HB2 PHE 13 2HB PHE 13 -1.460 6.803 2.835
87 HB3 PHE 13 1HB PHE 13 -3.047 7.319 3.400
88 H ASN 14 H ASN 14 -4.563 5.912 -0.316
89 HA ASN 14 HA ASN 14 -6.859 7.481 0.466
90 HB2 ASN 14 2HB ASN 14 -6.131 5.932 -1.820
91 HB3 ASN 14 1HB ASN 14 -7.618 5.265 -1.151
92 HD21 ASN 14 1HD2 ASN 14 -8.879 7.479 -0.203
93 HD22 ASN 14 2HD2 ASN 14 -9.261 8.546 -1.506
94 H VAL 15 H VAL 15 -7.432 6.951 2.502
95 HA VAL 15 HA VAL 15 -7.723 4.150 3.265
96 HB VAL 15 HB VAL 15 -8.841 6.076 5.153
97 HG11 VAL 15 1HG1 VAL 15 -6.545 4.745 6.153
98 HG12 VAL 15 2HG1 VAL 15 -7.441 3.608 5.144
99 HG13 VAL 15 3HG1 VAL 15 -8.244 4.413 6.492
100 HG21 VAL 15 3HG2 VAL 15 -6.290 6.755 3.910
101 HG22 VAL 15 1HG2 VAL 15 -6.197 6.608 5.663
102 HG23 VAL 15 2HG2 VAL 15 -7.347 7.727 4.931
103 H ASP 16 H ASP 16 -9.272 5.261 1.123
104 HA ASP 16 HA ASP 16 -11.984 4.888 2.159
105 HB2 ASP 16 2HB ASP 16 -10.944 7.357 1.326
106 HB3 ASP 16 1HB ASP 16 -11.936 6.798 -0.014
107 H LYS 17 H LYS 17 -9.901 3.375 0.533
108 HA LYS 17 HA LYS 17 -11.552 2.897 -1.853
109 HB2 LYS 17 2HB LYS 17 -8.671 3.091 -1.461
110 HB3 LYS 17 1HB LYS 17 -9.129 1.595 -2.263
111 HG2 LYS 17 2HG LYS 17 -9.895 4.364 -3.167
112 HG3 LYS 17 1HG LYS 17 -8.619 3.364 -3.865
113 HD2 LYS 17 2HD LYS 17 -10.205 2.656 -5.282
114 HD3 LYS 17 1HD LYS 17 -10.767 1.679 -3.926
115 HE2 LYS 17 2HE LYS 17 -12.662 2.833 -3.779
116 HE3 LYS 17 1HE LYS 17 -11.793 4.366 -3.753
117 HZ1 LYS 17 3HZ LYS 17 -13.325 4.201 -5.624
118 HZ2 LYS 17 1HZ LYS 17 -12.495 2.838 -6.200
119 HZ3 LYS 17 2HZ LYS 17 -11.716 4.344 -6.151
120 H LYS 18 H LYS 18 -10.916 0.462 -2.639
121 HA LYS 18 HA LYS 18 -12.023 -1.242 -0.603
122 HB2 LYS 18 2HB LYS 18 -11.490 -1.416 -3.499
123 HB3 LYS 18 1HB LYS 18 -11.333 -2.933 -2.628
124 HG2 LYS 18 2HG LYS 18 -13.637 -2.025 -3.669
125 HG3 LYS 18 1HG LYS 18 -13.544 -3.123 -2.291
126 HD2 LYS 18 2HD LYS 18 -14.290 -1.559 -0.851
127 HD3 LYS 18 1HD LYS 18 -13.351 -0.272 -1.609
128 HE2 LYS 18 2HE LYS 18 -15.491 0.402 -2.097
129 HE3 LYS 18 1HE LYS 18 -15.094 -0.536 -3.536
130 HZ1 LYS 18 3HZ LYS 18 -17.332 -0.956 -2.422
131 HZ2 LYS 18 1HZ LYS 18 -16.455 -1.778 -1.222
132 HZ3 LYS 18 2HZ LYS 18 -16.400 -2.314 -2.832
133 H CYS 19 H CYS 19 -9.127 -1.506 -2.641
134 HA CYS 19 HA CYS 19 -7.719 -2.771 -0.410
135 HB2 CYS 19 2HB CYS 19 -7.403 -4.041 -2.378
136 HB3 CYS 19 1HB CYS 19 -7.204 -2.605 -3.376
137 H GLN 20 H GLN 20 -5.911 -1.810 0.497
138 HA GLN 20 HA GLN 20 -5.637 1.042 -0.150
139 HB2 GLN 20 2HB GLN 20 -5.805 -0.431 2.387
140 HB3 GLN 20 1HB GLN 20 -4.508 0.760 2.334
141 HG2 GLN 20 2HG GLN 20 -6.424 1.800 3.275
142 HG3 GLN 20 1HG GLN 20 -6.191 2.458 1.657
143 HE21 GLN 20 1HE2 GLN 20 -7.671 -0.593 2.677
144 HE22 GLN 20 2HE2 GLN 20 -9.221 -0.268 1.992
145 H CYS 21 H CYS 21 -3.704 1.830 -0.690
146 HA CYS 21 HA CYS 21 -1.276 0.518 0.147
147 HB2 CYS 21 2HB CYS 21 -2.340 0.225 -2.570
148 HB3 CYS 21 1HB CYS 21 -0.713 0.895 -2.538
149 H ASP 22 H ASP 22 -0.159 2.209 0.904
150 HA ASP 22 HA ASP 22 0.837 3.965 -1.124
151 HB2 ASP 22 2HB ASP 22 -1.110 5.195 0.141
152 HB3 ASP 22 1HB ASP 22 0.093 5.367 1.418
153 H GLU 23 H GLU 23 2.524 5.527 0.375
154 HA GLU 23 HA GLU 23 4.406 3.644 1.395
155 HB2 GLU 23 2HB GLU 23 5.814 5.511 1.857
156 HB3 GLU 23 1HB GLU 23 4.984 5.863 0.350
157 HG2 GLU 23 2HG GLU 23 3.959 7.661 1.193
158 HG3 GLU 23 1HG GLU 23 3.617 6.870 2.731
159 H LEU 24 H LEU 24 1.671 5.118 2.706
160 HA LEU 24 HA LEU 24 2.560 4.857 5.482
161 HG LEU 24 HG LEU 24 2.526 7.184 5.173
162 HB2 LEU 24 2HB LEU 24 0.150 6.059 4.161
163 HB3 LEU 24 1HB LEU 24 0.156 5.723 5.881
164 HD11 LEU 24 1HD1 LEU 24 0.142 8.877 4.698
165 HD12 LEU 24 2HD1 LEU 24 0.702 7.857 3.374
166 HD13 LEU 24 3HD1 LEU 24 1.793 9.039 4.094
167 HD21 LEU 24 3HD2 LEU 24 1.464 6.970 7.405
168 HD22 LEU 24 1HD2 LEU 24 0.147 7.996 6.832
169 HD23 LEU 24 2HD2 LEU 24 1.787 8.637 6.930
170 H CYS 25 H CYS 25 1.694 2.664 3.368
171 HA CYS 25 HA CYS 25 -0.549 1.328 4.278
172 HB2 CYS 25 2HB CYS 25 0.047 -0.041 2.620
173 HB3 CYS 25 1HB CYS 25 1.584 0.803 2.495
174 H SER 26 H SER 26 2.760 1.187 5.514
175 HA SER 26 HA SER 26 2.314 -0.916 7.353
176 HG SER 26 HG SER 26 5.554 0.781 6.165
177 HB2 SER 26 2HB SER 26 4.404 0.828 8.243
178 HB3 SER 26 1HB SER 26 4.548 -0.748 7.457
179 H TYR 27 H TYR 27 2.068 2.583 7.562
180 HA TYR 27 HA TYR 27 1.811 2.818 10.348
181 HD1 TYR 27 2HD TYR 27 1.524 5.334 11.617
182 HD2 TYR 27 1HD TYR 27 -1.112 5.522 8.281
183 HE1 TYR 27 2HE TYR 27 -0.014 6.746 12.913
184 HE2 TYR 27 1HE TYR 27 -2.650 6.933 9.568
185 HH TYR 27 HH TYR 27 -2.599 7.207 12.821
186 HB2 TYR 27 2HB TYR 27 2.263 4.822 9.217
187 HB3 TYR 27 1HB TYR 27 1.003 4.543 8.021
188 H TYR 28 H TYR 28 -0.649 2.554 7.795
189 HA TYR 28 HA TYR 28 -2.800 2.489 9.722
190 HD1 TYR 28 2HD TYR 28 -5.078 3.628 9.234
191 HD2 TYR 28 1HD TYR 28 -2.299 4.534 6.142
192 HE1 TYR 28 2HE TYR 28 -5.745 5.991 9.336
193 HE2 TYR 28 1HE TYR 28 -2.947 6.906 6.242
194 HH TYR 28 HH TYR 28 -4.383 8.313 8.665
195 HB2 TYR 28 2HB TYR 28 -2.634 2.325 6.732
196 HB3 TYR 28 1HB TYR 28 -4.122 1.864 7.552
197 H GLN 29 H GLN 29 -0.671 0.229 8.389
198 HA GLN 29 HA GLN 29 -0.549 -2.031 8.292
199 HB2 GLN 29 2HB GLN 29 -2.043 -1.427 10.753
200 HB3 GLN 29 1HB GLN 29 -2.271 -3.061 10.147
201 HG2 GLN 29 2HG GLN 29 -0.300 -3.685 10.920
202 HG3 GLN 29 1HG GLN 29 0.507 -2.369 10.071
203 HE21 GLN 29 1HE2 GLN 29 1.074 -0.540 11.168
204 HE22 GLN 29 2HE2 GLN 29 0.937 -0.385 12.886
205 H SER 30 H SER 30 -2.039 -1.061 6.336
206 HA SER 30 HA SER 30 -4.016 -3.124 5.893
207 HG SER 30 HG SER 30 -4.730 -1.664 7.817
208 HB2 SER 30 2HB SER 30 -4.823 -0.223 5.562
209 HB3 SER 30 1HB SER 30 -5.845 -1.650 5.383
210 H CYS 31 H CYS 31 -2.176 -3.589 4.449
211 HA CYS 31 HA CYS 31 -2.576 -2.144 1.918
212 HB2 CYS 31 2HB CYS 31 -0.082 -3.443 1.776
213 HB3 CYS 31 1HB CYS 31 -0.381 -1.711 1.866
214 H CYS 32 H CYS 32 -2.419 -3.469 -0.017
215 HA CYS 32 HA CYS 32 -3.448 -6.106 0.296
216 HB2 CYS 32 2HB CYS 32 -2.636 -4.407 -2.020
217 HB3 CYS 32 1HB CYS 32 -2.747 -6.145 -2.281
218 H THR 33 H THR 33 -2.394 -8.049 -0.636
219 HA THR 33 HA THR 33 0.013 -8.454 0.804
220 HB THR 33 HB THR 33 -0.764 -10.469 -1.225
221 HG1 THR 33 1HG THR 33 -2.822 -9.802 -0.640
222 HG21 THR 33 3HG2 THR 33 -0.537 -11.956 0.753
223 HG22 THR 33 1HG2 THR 33 -0.189 -10.537 1.742
224 HG23 THR 33 2HG2 THR 33 0.911 -10.997 0.443
225 H ASP 34 H ASP 34 -0.656 -7.770 -2.579
226 HA ASP 34 HA ASP 34 2.128 -8.362 -3.273
227 HB2 ASP 34 2HB ASP 34 -0.361 -8.312 -4.723
228 HB3 ASP 34 1HB ASP 34 0.821 -7.271 -5.514
229 H TYR 35 H TYR 35 1.545 -6.203 -1.498
230 HA TYR 35 HA TYR 35 1.635 -3.680 -2.716
231 HD1 TYR 35 2HD TYR 35 1.453 -1.331 -1.202
232 HD2 TYR 35 1HD TYR 35 4.420 -3.654 0.773
233 HE1 TYR 35 2HE TYR 35 2.651 0.729 -0.596
234 HE2 TYR 35 1HE TYR 35 5.625 -1.604 1.388
235 HH TYR 35 HH TYR 35 4.510 1.584 0.295
236 HB2 TYR 35 2HB TYR 35 1.072 -3.751 -0.420
237 HB3 TYR 35 1HB TYR 35 2.492 -4.704 -0.012
238 H THR 36 H THR 36 4.160 -5.943 -1.810
239 HA THR 36 HA THR 36 6.363 -4.223 -2.334
240 HB THR 36 HB THR 36 7.443 -6.674 -2.581
241 HG1 THR 36 1HG THR 36 5.663 -7.518 -0.719
242 HG21 THR 36 3HG2 THR 36 6.488 -5.541 0.052
243 HG22 THR 36 1HG2 THR 36 7.902 -4.964 -0.835
244 HG23 THR 36 2HG2 THR 36 7.868 -6.611 -0.200
245 H ALA 37 H ALA 37 4.415 -6.359 -4.271
246 HA ALA 37 HA ALA 37 6.143 -6.489 -6.517
247 HB1 ALA 37 3HB ALA 37 3.402 -7.271 -5.841
248 HB2 ALA 37 1HB ALA 37 4.626 -8.116 -6.792
249 HB3 ALA 37 2HB ALA 37 3.645 -6.856 -7.541
250 H GLU 38 H GLU 38 3.409 -4.414 -5.661
251 HA GLU 38 HA GLU 38 3.540 -2.973 -8.153
252 HB2 GLU 38 2HB GLU 38 1.906 -2.333 -5.699
253 HB3 GLU 38 1HB GLU 38 1.637 -1.744 -7.334
254 HG2 GLU 38 2HG GLU 38 1.407 -4.604 -6.423
255 HG3 GLU 38 1HG GLU 38 0.067 -3.507 -6.753
256 H CYS 39 H CYS 39 4.083 -2.098 -4.728
257 HA CYS 39 HA CYS 39 5.022 0.527 -5.425
258 HB2 CYS 39 2HB CYS 39 3.931 -0.251 -3.205
259 HB3 CYS 39 1HB CYS 39 5.545 -0.817 -2.786
260 H LYS 40 H LYS 40 6.477 -2.510 -4.434
261 HA LYS 40 HA LYS 40 8.516 -3.404 -4.717
262 HB2 LYS 40 2HB LYS 40 8.018 -2.525 -7.059
263 HB3 LYS 40 1HB LYS 40 9.148 -1.230 -6.687
264 HG2 LYS 40 2HG LYS 40 10.282 -2.957 -7.910
265 HG3 LYS 40 1HG LYS 40 10.890 -2.923 -6.253
266 HD2 LYS 40 2HD LYS 40 8.697 -4.700 -6.296
267 HD3 LYS 40 1HD LYS 40 9.704 -5.089 -7.693
268 HE2 LYS 40 2HE LYS 40 11.206 -4.589 -5.232
269 HE3 LYS 40 1HE LYS 40 10.118 -5.974 -5.138
270 HZ1 LYS 40 3HZ LYS 40 11.322 -7.137 -6.623
271 HZ2 LYS 40 1HZ LYS 40 12.582 -6.129 -6.095
272 HZ3 LYS 40 2HZ LYS 40 11.761 -5.774 -7.536
273 HA PRO 41 HA PRO 41 10.871 -0.385 -2.149
274 HB2 PRO 41 2HB PRO 41 10.502 -1.495 0.260
275 HB3 PRO 41 1HB PRO 41 9.336 -0.344 -0.405
276 HG2 PRO 41 2HG PRO 41 9.193 -3.324 -0.272
277 HG3 PRO 41 1HG PRO 41 7.913 -2.126 -0.012
278 HD2 PRO 41 2HD PRO 41 8.293 -3.536 -2.361
279 HD3 PRO 41 1HD PRO 41 7.432 -1.991 -2.234
280 H GLN 42 H GLN 42 12.522 -1.410 -0.309
281 HA GLN 42 HA GLN 42 13.435 -4.029 -1.032
282 HB2 GLN 42 2HB GLN 42 15.813 -2.809 -1.481
283 HB3 GLN 42 1HB GLN 42 14.722 -3.335 -2.753
284 HG2 GLN 42 2HG GLN 42 13.769 -0.848 -2.225
285 HG3 GLN 42 1HG GLN 42 15.493 -0.640 -1.915
286 HE21 GLN 42 1HE2 GLN 42 13.101 -1.523 -4.296
287 HE22 GLN 42 2HE2 GLN 42 14.111 -1.296 -5.680
288 H VAL 43 H VAL 43 14.544 -4.942 0.550
289 HA VAL 43 HA VAL 43 15.691 -3.241 2.664
290 HB VAL 43 HB VAL 43 14.498 -6.005 3.022
291 HG11 VAL 43 1HG1 VAL 43 16.368 -4.608 4.578
292 HG12 VAL 43 2HG1 VAL 43 15.484 -6.072 5.009
293 HG13 VAL 43 3HG1 VAL 43 14.832 -4.491 5.436
294 HG21 VAL 43 3HG2 VAL 43 13.389 -3.269 3.526
295 HG22 VAL 43 1HG2 VAL 43 12.856 -4.648 4.489
296 HG23 VAL 43 2HG2 VAL 43 12.627 -4.650 2.739
297 H THR 44 H THR 44 17.814 -3.625 3.106
298 HA THR 44 HA THR 44 19.431 -4.984 1.313
299 HB THR 44 HB THR 44 20.687 -4.840 3.897
300 HG1 THR 44 1HG THR 44 20.308 -2.541 4.184
301 HG21 THR 44 3HG2 THR 44 22.328 -3.900 2.672
302 HG22 THR 44 1HG2 THR 44 21.234 -2.724 1.941
303 HG23 THR 44 2HG2 THR 44 21.340 -4.356 1.284
304 H ARG 45 H ARG 45 19.237 -7.094 0.916
305 HA ARG 45 HA ARG 45 19.339 -8.953 3.207
306 HE ARG 45 HE ARG 45 14.501 -10.516 2.810
307 HB2 ARG 45 2HB ARG 45 17.350 -8.707 1.188
308 HB3 ARG 45 1HB ARG 45 18.216 -10.207 0.888
309 HG2 ARG 45 2HG ARG 45 16.686 -11.027 2.321
310 HG3 ARG 45 1HG ARG 45 17.833 -10.440 3.528
311 HD2 ARG 45 2HD ARG 45 16.453 -8.818 4.228
312 HD3 ARG 45 1HD ARG 45 15.935 -8.420 2.591
313 HH11 ARG 45 1HH1 ARG 45 15.435 -8.570 5.569
314 HH12 ARG 45 2HH1 ARG 45 13.983 -8.907 6.466
315 HH21 ARG 45 1HH2 ARG 45 12.597 -10.984 3.990
316 HH22 ARG 45 2HH2 ARG 45 12.352 -10.270 5.557
317 H GLY 46 H GLY 46 21.693 -8.090 2.228
318 HA2 GLY 46 2HA GLY 46 23.043 -10.413 1.537
319 HA3 GLY 46 1HA GLY 46 22.680 -9.589 0.029
320 H ASP 47 H ASP 47 23.442 -8.076 3.120
321 HA ASP 47 HA ASP 47 26.181 -7.593 2.434
322 HB2 ASP 47 2HB ASP 47 24.935 -5.862 1.075
323 HB3 ASP 47 1HB ASP 47 24.375 -5.172 2.593
Start of MODEL 19
1 HA ASP 1 HA ASP 1 -12.595 -7.972 -8.976
2 H1 ASP 1 1HT ASP 1 -13.094 -5.925 -10.776
3 H2 ASP 1 2HT ASP 1 -12.252 -5.238 -9.476
4 H3 ASP 1 3HT ASP 1 -13.683 -6.108 -9.200
5 HB2 ASP 1 2HB ASP 1 -10.917 -8.597 -10.941
6 HB3 ASP 1 1HB ASP 1 -12.660 -8.686 -11.157
7 H GLN 2 H GLN 2 -10.175 -5.794 -10.450
8 HA GLN 2 HA GLN 2 -8.182 -6.790 -8.581
9 HB2 GLN 2 2HB GLN 2 -8.100 -5.040 -11.015
10 HB3 GLN 2 1HB GLN 2 -6.732 -5.087 -9.913
11 HG2 GLN 2 2HG GLN 2 -7.757 -7.705 -10.761
12 HG3 GLN 2 1HG GLN 2 -7.034 -6.720 -12.032
13 HE21 GLN 2 1HE2 GLN 2 -6.250 -9.193 -10.404
14 HE22 GLN 2 2HE2 GLN 2 -4.621 -8.866 -9.928
15 H GLU 3 H GLU 3 -8.533 -5.962 -6.579
16 HA GLU 3 HA GLU 3 -8.497 -3.033 -6.317
17 HB2 GLU 3 2HB GLU 3 -9.846 -5.124 -4.866
18 HB3 GLU 3 1HB GLU 3 -8.810 -4.202 -3.778
19 HG2 GLU 3 2HG GLU 3 -10.771 -2.967 -5.669
20 HG3 GLU 3 1HG GLU 3 -11.139 -3.351 -3.987
21 H SER 4 H SER 4 -6.366 -5.156 -6.799
22 HA SER 4 HA SER 4 -4.618 -4.959 -4.546
23 HG SER 4 HG SER 4 -5.801 -6.881 -5.982
24 HB2 SER 4 2HB SER 4 -3.601 -5.741 -7.239
25 HB3 SER 4 1HB SER 4 -3.301 -6.481 -5.662
26 H CYS 5 H CYS 5 -2.591 -3.882 -4.554
27 HA CYS 5 HA CYS 5 -2.728 -1.228 -5.478
28 HB2 CYS 5 2HB CYS 5 -0.025 -2.117 -4.851
29 HB3 CYS 5 1HB CYS 5 -1.023 -0.912 -4.046
30 H LYS 6 H LYS 6 -2.416 -0.518 -7.459
31 HA LYS 6 HA LYS 6 -0.298 -1.760 -9.089
32 HB2 LYS 6 2HB LYS 6 -2.785 -0.343 -10.082
33 HB3 LYS 6 1HB LYS 6 -1.543 -1.082 -11.083
34 HG2 LYS 6 2HG LYS 6 -2.356 -3.146 -9.452
35 HG3 LYS 6 1HG LYS 6 -3.850 -2.267 -9.792
36 HD2 LYS 6 2HD LYS 6 -3.919 -3.137 -11.839
37 HD3 LYS 6 1HD LYS 6 -2.329 -2.454 -12.195
38 HE2 LYS 6 2HE LYS 6 -1.304 -4.418 -11.939
39 HE3 LYS 6 1HE LYS 6 -2.223 -4.811 -10.486
40 HZ1 LYS 6 3HZ LYS 6 -3.842 -4.913 -12.835
41 HZ2 LYS 6 1HZ LYS 6 -3.586 -6.098 -11.649
42 HZ3 LYS 6 2HZ LYS 6 -2.514 -5.957 -12.954
43 H GLY 7 H GLY 7 -2.253 1.162 -9.225
44 HA2 GLY 7 2HA GLY 7 0.209 2.767 -8.993
45 HA3 GLY 7 1HA GLY 7 -1.064 3.166 -10.140
46 H ARG 8 H ARG 8 -0.856 2.356 -6.665
47 HA ARG 8 HA ARG 8 -2.267 4.882 -6.142
48 HE ARG 8 HE ARG 8 -4.527 0.537 -6.190
49 HB2 ARG 8 2HB ARG 8 -3.468 3.761 -4.259
50 HB3 ARG 8 1HB ARG 8 -3.945 3.188 -5.849
51 HG2 ARG 8 2HG ARG 8 -2.475 1.218 -5.529
52 HG3 ARG 8 1HG ARG 8 -2.141 1.783 -3.890
53 HD2 ARG 8 2HD ARG 8 -3.864 0.285 -3.528
54 HD3 ARG 8 1HD ARG 8 -4.735 1.812 -3.656
55 HH11 ARG 8 1HH1 ARG 8 -6.306 0.368 -3.160
56 HH12 ARG 8 2HH1 ARG 8 -7.712 -0.343 -3.895
57 HH21 ARG 8 1HH2 ARG 8 -6.406 -0.412 -7.120
58 HH22 ARG 8 2HH2 ARG 8 -7.768 -0.781 -6.093
59 H CYS 9 H CYS 9 0.556 3.476 -5.917
60 HA CYS 9 HA CYS 9 1.086 4.240 -3.128
61 HB2 CYS 9 2HB CYS 9 2.638 2.533 -5.083
62 HB3 CYS 9 1HB CYS 9 3.308 3.076 -3.550
63 H THR 10 H THR 10 0.716 5.906 -5.600
64 HA THR 10 HA THR 10 3.224 7.424 -5.408
65 HB THR 10 HB THR 10 1.968 8.090 -7.849
66 HG1 THR 10 1HG THR 10 2.191 5.266 -7.452
67 HG21 THR 10 3HG2 THR 10 4.007 7.363 -8.815
68 HG22 THR 10 1HG2 THR 10 4.296 6.215 -7.507
69 HG23 THR 10 2HG2 THR 10 4.426 7.948 -7.205
70 H GLU 11 H GLU 11 -0.240 7.630 -6.203
71 HA GLU 11 HA GLU 11 -0.556 10.372 -5.751
72 HB2 GLU 11 2HB GLU 11 -2.958 9.313 -4.923
73 HB3 GLU 11 1HB GLU 11 -2.544 9.737 -6.574
74 HG2 GLU 11 2HG GLU 11 -1.818 7.030 -5.601
75 HG3 GLU 11 1HG GLU 11 -3.513 7.379 -5.936
76 H GLY 12 H GLY 12 -1.167 7.663 -3.522
77 HA2 GLY 12 2HA GLY 12 -0.028 8.408 -1.255
78 HA3 GLY 12 1HA GLY 12 -1.385 9.528 -1.297
79 H PHE 13 H PHE 13 -1.386 7.990 0.821
80 HA PHE 13 HA PHE 13 -2.503 5.419 0.540
81 HD1 PHE 13 2HD PHE 13 -4.910 5.955 3.443
82 HD2 PHE 13 1HD PHE 13 -1.137 4.034 3.041
83 HE1 PHE 13 2HE PHE 13 -5.807 3.969 4.577
84 HE2 PHE 13 1HE PHE 13 -2.025 2.040 4.169
85 HZ PHE 13 HZ PHE 13 -4.364 2.005 4.942
86 HB2 PHE 13 2HB PHE 13 -1.350 6.350 2.597
87 HB3 PHE 13 1HB PHE 13 -2.844 7.218 2.938
88 H ASN 14 H ASN 14 -4.382 5.029 -0.386
89 HA ASN 14 HA ASN 14 -6.634 6.802 -0.097
90 HB2 ASN 14 2HB ASN 14 -7.857 4.796 -1.203
91 HB3 ASN 14 1HB ASN 14 -6.702 5.708 -2.162
92 HD21 ASN 14 1HD2 ASN 14 -7.113 2.767 -0.255
93 HD22 ASN 14 2HD2 ASN 14 -5.948 1.836 -1.125
94 H VAL 15 H VAL 15 -7.778 6.872 1.714
95 HA VAL 15 HA VAL 15 -7.910 4.467 3.394
96 HB VAL 15 HB VAL 15 -9.264 6.882 4.386
97 HG11 VAL 15 1HG1 VAL 15 -8.051 4.545 5.400
98 HG12 VAL 15 2HG1 VAL 15 -8.921 5.795 6.287
99 HG13 VAL 15 3HG1 VAL 15 -7.175 5.924 6.070
100 HG21 VAL 15 3HG2 VAL 15 -6.678 7.201 3.221
101 HG22 VAL 15 1HG2 VAL 15 -6.547 7.376 4.970
102 HG23 VAL 15 2HG2 VAL 15 -7.668 8.393 4.063
103 H ASP 16 H ASP 16 -9.602 6.126 1.047
104 HA ASP 16 HA ASP 16 -12.266 5.488 1.910
105 HB2 ASP 16 2HB ASP 16 -12.707 7.134 0.460
106 HB3 ASP 16 1HB ASP 16 -11.049 7.107 -0.121
107 H LYS 17 H LYS 17 -9.846 4.003 -0.126
108 HA LYS 17 HA LYS 17 -11.618 2.304 -1.559
109 HB2 LYS 17 2HB LYS 17 -8.703 2.681 -1.354
110 HB3 LYS 17 1HB LYS 17 -9.217 1.056 -1.787
111 HG2 LYS 17 2HG LYS 17 -9.916 3.601 -3.236
112 HG3 LYS 17 1HG LYS 17 -8.790 2.352 -3.773
113 HD2 LYS 17 2HD LYS 17 -10.452 0.937 -4.409
114 HD3 LYS 17 1HD LYS 17 -11.547 1.475 -3.134
115 HE2 LYS 17 2HE LYS 17 -10.852 3.095 -5.578
116 HE3 LYS 17 1HE LYS 17 -12.285 2.076 -5.433
117 HZ1 LYS 17 3HZ LYS 17 -11.624 4.415 -3.723
118 HZ2 LYS 17 1HZ LYS 17 -12.989 3.422 -3.536
119 HZ3 LYS 17 2HZ LYS 17 -12.807 4.366 -4.932
120 H LYS 18 H LYS 18 -10.840 -0.183 -1.560
121 HA LYS 18 HA LYS 18 -11.610 -1.135 1.086
122 HB2 LYS 18 2HB LYS 18 -11.435 -2.465 -1.619
123 HB3 LYS 18 1HB LYS 18 -11.769 -3.358 -0.142
124 HG2 LYS 18 2HG LYS 18 -13.910 -2.981 -0.675
125 HG3 LYS 18 1HG LYS 18 -13.619 -1.390 0.029
126 HD2 LYS 18 2HD LYS 18 -12.725 -1.133 -2.578
127 HD3 LYS 18 1HD LYS 18 -14.167 -2.138 -2.727
128 HE2 LYS 18 2HE LYS 18 -14.308 0.263 -0.984
129 HE3 LYS 18 1HE LYS 18 -14.289 0.509 -2.731
130 HZ1 LYS 18 3HZ LYS 18 -16.497 0.245 -2.470
131 HZ2 LYS 18 1HZ LYS 18 -16.349 -0.655 -1.039
132 HZ3 LYS 18 2HZ LYS 18 -16.113 -1.403 -2.546
133 H CYS 19 H CYS 19 -9.111 -1.698 -1.366
134 HA CYS 19 HA CYS 19 -7.355 -2.687 0.783
135 HB2 CYS 19 2HB CYS 19 -7.880 -4.014 -1.462
136 HB3 CYS 19 1HB CYS 19 -6.601 -2.979 -2.087
137 H GLN 20 H GLN 20 -5.374 -1.694 1.114
138 HA GLN 20 HA GLN 20 -5.036 0.840 -0.332
139 HB2 GLN 20 2HB GLN 20 -3.993 0.949 2.357
140 HB3 GLN 20 1HB GLN 20 -5.137 2.021 1.565
141 HG2 GLN 20 2HG GLN 20 -6.157 -0.595 2.510
142 HG3 GLN 20 1HG GLN 20 -5.740 0.608 3.729
143 HE21 GLN 20 1HE2 GLN 20 -7.590 1.424 4.422
144 HE22 GLN 20 2HE2 GLN 20 -8.867 2.028 3.427
145 H CYS 21 H CYS 21 -2.995 1.439 -0.906
146 HA CYS 21 HA CYS 21 -0.742 0.081 0.354
147 HB2 CYS 21 2HB CYS 21 -1.567 -0.204 -2.482
148 HB3 CYS 21 1HB CYS 21 0.147 0.081 -2.208
149 H ASP 22 H ASP 22 0.387 1.708 1.128
150 HA ASP 22 HA ASP 22 1.554 3.624 -0.680
151 HB2 ASP 22 2HB ASP 22 -0.455 4.856 -0.007
152 HB3 ASP 22 1HB ASP 22 -0.105 4.549 1.686
153 H GLU 23 H GLU 23 3.157 5.068 0.846
154 HA GLU 23 HA GLU 23 4.752 3.398 2.474
155 HB2 GLU 23 2HB GLU 23 5.822 5.338 1.719
156 HB3 GLU 23 1HB GLU 23 4.464 6.368 2.146
157 HG2 GLU 23 2HG GLU 23 5.844 6.962 3.818
158 HG3 GLU 23 1HG GLU 23 5.138 5.542 4.590
159 H LEU 24 H LEU 24 1.958 5.426 3.091
160 HA LEU 24 HA LEU 24 2.022 5.251 5.942
161 HG LEU 24 HG LEU 24 1.475 7.238 6.369
162 HB2 LEU 24 2HB LEU 24 0.263 6.350 3.882
163 HB3 LEU 24 1HB LEU 24 -0.597 5.738 5.282
164 HD11 LEU 24 1HD1 LEU 24 0.456 8.450 3.831
165 HD12 LEU 24 2HD1 LEU 24 2.106 8.380 4.454
166 HD13 LEU 24 3HD1 LEU 24 0.929 9.471 5.188
167 HD21 LEU 24 3HD2 LEU 24 -0.914 7.004 7.084
168 HD22 LEU 24 1HD2 LEU 24 -1.336 8.181 5.840
169 HD23 LEU 24 2HD2 LEU 24 -0.274 8.646 7.171
170 H CYS 25 H CYS 25 1.698 2.785 3.889
171 HA CYS 25 HA CYS 25 -0.671 1.487 4.715
172 HB2 CYS 25 2HB CYS 25 -0.064 -0.017 3.173
173 HB3 CYS 25 1HB CYS 25 1.359 0.971 2.876
174 H SER 26 H SER 26 2.586 1.602 6.014
175 HA SER 26 HA SER 26 2.294 -0.471 7.920
176 HG SER 26 HG SER 26 5.046 2.088 6.862
177 HB2 SER 26 2HB SER 26 4.134 1.634 8.715
178 HB3 SER 26 1HB SER 26 4.478 -0.035 8.250
179 H TYR 27 H TYR 27 1.300 2.837 7.818
180 HA TYR 27 HA TYR 27 1.067 3.240 10.632
181 HD1 TYR 27 1HD TYR 27 0.524 5.443 11.862
182 HD2 TYR 27 2HD TYR 27 -1.916 5.903 8.408
183 HE1 TYR 27 1HE TYR 27 -1.034 6.841 13.154
184 HE2 TYR 27 2HE TYR 27 -3.475 7.299 9.683
185 HH TYR 27 HH TYR 27 -4.035 8.063 11.694
186 HB2 TYR 27 2HB TYR 27 1.349 5.177 9.296
187 HB3 TYR 27 1HB TYR 27 0.040 4.718 8.216
188 H TYR 28 H TYR 28 -1.092 2.095 8.097
189 HA TYR 28 HA TYR 28 -3.262 1.870 10.062
190 HD1 TYR 28 1HD TYR 28 -5.891 2.632 9.486
191 HD2 TYR 28 2HD TYR 28 -3.001 4.233 6.808
192 HE1 TYR 28 1HE TYR 28 -6.909 4.855 9.730
193 HE2 TYR 28 2HE TYR 28 -4.002 6.462 7.044
194 HH TYR 28 HH TYR 28 -5.601 7.548 9.213
195 HB2 TYR 28 2HB TYR 28 -3.175 1.909 7.066
196 HB3 TYR 28 1HB TYR 28 -4.552 1.188 7.892
197 H GLN 29 H GLN 29 -0.899 0.045 8.467
198 HA GLN 29 HA GLN 29 -0.400 -2.152 8.307
199 HB2 GLN 29 2HB GLN 29 -2.317 -2.349 10.630
200 HB3 GLN 29 1HB GLN 29 -1.290 -3.666 10.082
201 HG2 GLN 29 2HG GLN 29 0.227 -2.924 11.517
202 HG3 GLN 29 1HG GLN 29 0.467 -1.561 10.424
203 HE21 GLN 29 1HE2 GLN 29 0.503 0.281 11.485
204 HE22 GLN 29 2HE2 GLN 29 -0.489 0.695 12.842
205 H SER 30 H SER 30 -2.380 -1.194 6.569
206 HA SER 30 HA SER 30 -3.938 -3.646 6.142
207 HG SER 30 HG SER 30 -4.728 -1.434 7.960
208 HB2 SER 30 2HB SER 30 -5.344 -1.303 5.194
209 HB3 SER 30 1HB SER 30 -5.900 -2.574 6.284
210 H CYS 31 H CYS 31 -1.614 -3.381 4.845
211 HA CYS 31 HA CYS 31 -2.199 -2.265 2.201
212 HB2 CYS 31 2HB CYS 31 0.364 -3.473 2.227
213 HB3 CYS 31 1HB CYS 31 -0.021 -1.754 2.215
214 H CYS 32 H CYS 32 -2.136 -3.520 0.337
215 HA CYS 32 HA CYS 32 -2.995 -6.230 0.654
216 HB2 CYS 32 2HB CYS 32 -2.149 -5.162 -2.001
217 HB3 CYS 32 1HB CYS 32 -3.518 -6.187 -1.591
218 H THR 33 H THR 33 -1.968 -8.058 -0.508
219 HA THR 33 HA THR 33 0.672 -8.463 0.322
220 HB THR 33 HB THR 33 -0.070 -10.190 -1.873
221 HG1 THR 33 1HG THR 33 -2.074 -10.845 -1.121
222 HG21 THR 33 3HG2 THR 33 0.872 -10.334 0.866
223 HG22 THR 33 1HG2 THR 33 1.089 -11.481 -0.456
224 HG23 THR 33 2HG2 THR 33 -0.363 -11.550 0.544
225 H ASP 34 H ASP 34 -0.598 -7.099 -2.585
226 HA ASP 34 HA ASP 34 1.789 -7.586 -4.144
227 HB2 ASP 34 2HB ASP 34 -0.932 -6.873 -4.682
228 HB3 ASP 34 1HB ASP 34 0.133 -5.692 -5.439
229 H TYR 35 H TYR 35 1.523 -5.695 -1.668
230 HA TYR 35 HA TYR 35 1.903 -3.054 -2.568
231 HD1 TYR 35 2HD TYR 35 2.003 -1.031 -1.404
232 HD2 TYR 35 1HD TYR 35 4.187 -3.365 1.403
233 HE1 TYR 35 2HE TYR 35 3.188 0.988 -0.662
234 HE2 TYR 35 1HE TYR 35 5.377 -1.351 2.160
235 HH TYR 35 HH TYR 35 4.388 1.650 1.674
236 HB2 TYR 35 2HB TYR 35 1.245 -3.467 -0.284
237 HB3 TYR 35 1HB TYR 35 2.694 -4.423 0.011
238 H THR 36 H THR 36 4.191 -5.541 -1.546
239 HA THR 36 HA THR 36 6.478 -3.907 -1.982
240 HB THR 36 HB THR 36 7.519 -6.372 -1.837
241 HG1 THR 36 1HG THR 36 6.105 -7.669 -0.581
242 HG21 THR 36 3HG2 THR 36 7.455 -4.276 -0.247
243 HG22 THR 36 1HG2 THR 36 7.960 -5.852 0.361
244 HG23 THR 36 2HG2 THR 36 6.318 -5.275 0.659
245 H ALA 37 H ALA 37 4.663 -6.185 -3.871
246 HA ALA 37 HA ALA 37 6.604 -6.710 -5.861
247 HB1 ALA 37 3HB ALA 37 4.449 -7.247 -7.226
248 HB2 ALA 37 1HB ALA 37 3.641 -7.033 -5.674
249 HB3 ALA 37 2HB ALA 37 4.896 -8.260 -5.853
250 H GLU 38 H GLU 38 3.799 -4.500 -5.829
251 HA GLU 38 HA GLU 38 4.586 -3.398 -8.384
252 HB2 GLU 38 2HB GLU 38 2.234 -3.150 -6.578
253 HB3 GLU 38 1HB GLU 38 2.547 -1.825 -7.693
254 HG2 GLU 38 2HG GLU 38 2.143 -4.715 -8.431
255 HG3 GLU 38 1HG GLU 38 0.980 -3.409 -8.642
256 H CYS 39 H CYS 39 4.214 -2.128 -5.065
257 HA CYS 39 HA CYS 39 5.003 0.499 -5.930
258 HB2 CYS 39 2HB CYS 39 4.740 -0.356 -3.058
259 HB3 CYS 39 1HB CYS 39 4.455 1.231 -3.768
260 H LYS 40 H LYS 40 6.423 -1.987 -3.833
261 HA LYS 40 HA LYS 40 8.553 -2.394 -3.159
262 HB2 LYS 40 2HB LYS 40 8.627 -1.868 -5.916
263 HB3 LYS 40 1HB LYS 40 9.992 -0.996 -5.233
264 HG2 LYS 40 2HG LYS 40 11.077 -2.895 -4.610
265 HG3 LYS 40 1HG LYS 40 9.583 -3.804 -4.381
266 HD2 LYS 40 2HD LYS 40 9.640 -3.166 -7.095
267 HD3 LYS 40 1HD LYS 40 11.295 -3.638 -6.698
268 HE2 LYS 40 2HE LYS 40 9.174 -5.354 -5.584
269 HE3 LYS 40 1HE LYS 40 9.328 -5.379 -7.340
270 HZ1 LYS 40 3HZ LYS 40 10.729 -6.966 -5.811
271 HZ2 LYS 40 1HZ LYS 40 11.774 -5.632 -5.750
272 HZ3 LYS 40 2HZ LYS 40 11.376 -6.331 -7.244
273 HA PRO 41 HA PRO 41 8.845 1.937 -1.412
274 HB2 PRO 41 2HB PRO 41 9.192 1.002 1.162
275 HB3 PRO 41 1HB PRO 41 7.637 1.446 0.454
276 HG2 PRO 41 2HG PRO 41 8.870 -1.257 0.776
277 HG3 PRO 41 1HG PRO 41 7.180 -0.762 0.990
278 HD2 PRO 41 2HD PRO 41 8.007 -2.052 -1.215
279 HD3 PRO 41 1HD PRO 41 6.752 -0.798 -1.283
280 H GLN 42 H GLN 42 10.676 -0.966 -0.533
281 HA GLN 42 HA GLN 42 12.876 -1.378 -0.174
282 HB2 GLN 42 2HB GLN 42 12.693 -0.028 -2.566
283 HB3 GLN 42 1HB GLN 42 13.904 0.904 -1.696
284 HG2 GLN 42 2HG GLN 42 14.510 -1.830 -1.335
285 HG3 GLN 42 1HG GLN 42 14.178 -1.573 -3.046
286 HE21 GLN 42 1HE2 GLN 42 15.580 0.685 -0.727
287 HE22 GLN 42 2HE2 GLN 42 17.105 0.840 -1.531
288 H VAL 43 H VAL 43 11.592 0.228 1.749
289 HA VAL 43 HA VAL 43 13.496 2.324 2.441
290 HB VAL 43 HB VAL 43 11.001 1.507 3.939
291 HG11 VAL 43 1HG1 VAL 43 11.884 4.258 4.174
292 HG12 VAL 43 2HG1 VAL 43 13.113 3.117 4.723
293 HG13 VAL 43 3HG1 VAL 43 11.498 3.081 5.432
294 HG21 VAL 43 3HG2 VAL 43 10.089 3.646 2.883
295 HG22 VAL 43 1HG2 VAL 43 10.205 2.224 1.849
296 HG23 VAL 43 2HG2 VAL 43 11.414 3.502 1.730
297 H THR 44 H THR 44 15.328 1.231 3.064
298 HA THR 44 HA THR 44 15.319 -0.855 5.001
299 HB THR 44 HB THR 44 17.806 0.591 4.932
300 HG1 THR 44 1HG THR 44 17.946 0.008 2.486
301 HG21 THR 44 3HG2 THR 44 18.399 -1.558 5.098
302 HG22 THR 44 1HG2 THR 44 18.003 -1.743 3.391
303 HG23 THR 44 2HG2 THR 44 16.789 -2.087 4.620
304 H ARG 45 H ARG 45 16.197 2.584 5.103
305 HA ARG 45 HA ARG 45 15.559 2.600 7.968
306 HE ARG 45 HE ARG 45 16.736 4.737 11.444
307 HB2 ARG 45 2HB ARG 45 17.978 2.570 7.815
308 HB3 ARG 45 1HB ARG 45 17.956 3.869 6.631
309 HG2 ARG 45 2HG ARG 45 18.356 5.196 8.378
310 HG3 ARG 45 1HG ARG 45 16.634 5.009 8.717
311 HD2 ARG 45 2HD ARG 45 17.309 2.941 10.063
312 HD3 ARG 45 1HD ARG 45 18.957 3.559 9.955
313 HH11 ARG 45 1HH1 ARG 45 20.084 4.911 10.427
314 HH12 ARG 45 2HH1 ARG 45 20.508 6.118 11.607
315 HH21 ARG 45 1HH2 ARG 45 17.270 6.318 12.977
316 HH22 ARG 45 2HH2 ARG 45 18.904 6.915 13.064
317 H GLY 46 H GLY 46 13.679 3.706 7.908
318 HA2 GLY 46 2HA GLY 46 13.640 6.273 6.443
319 HA3 GLY 46 1HA GLY 46 12.215 5.296 6.765
320 H ASP 47 H ASP 47 14.782 5.947 9.044
321 HA ASP 47 HA ASP 47 12.962 7.631 10.610
322 HB2 ASP 47 2HB ASP 47 12.747 5.825 11.979
323 HB3 ASP 47 1HB ASP 47 14.194 5.052 11.347
Start of MODEL 20
1 HA ASP 1 HA ASP 1 -11.669 -4.715 -1.172
2 H1 ASP 1 1HT ASP 1 -11.782 -7.375 -2.318
3 H2 ASP 1 2HT ASP 1 -12.157 -5.872 -3.006
4 H3 ASP 1 3HT ASP 1 -13.276 -6.641 -1.988
5 HB2 ASP 1 2HB ASP 1 -13.493 -6.219 0.028
6 HB3 ASP 1 1HB ASP 1 -12.071 -6.979 0.740
7 H GLN 2 H GLN 2 -9.596 -4.339 -0.682
8 HA GLN 2 HA GLN 2 -7.344 -4.620 -0.645
9 HB2 GLN 2 2HB GLN 2 -8.396 -6.870 0.988
10 HB3 GLN 2 1HB GLN 2 -6.706 -6.951 0.511
11 HG2 GLN 2 2HG GLN 2 -7.384 -4.330 1.515
12 HG3 GLN 2 1HG GLN 2 -7.771 -5.587 2.688
13 HE21 GLN 2 1HE2 GLN 2 -5.610 -3.462 2.436
14 HE22 GLN 2 2HE2 GLN 2 -4.144 -4.338 2.724
15 H GLU 3 H GLU 3 -8.158 -5.004 -3.067
16 HA GLU 3 HA GLU 3 -7.608 -7.613 -4.131
17 HB2 GLU 3 2HB GLU 3 -8.049 -4.980 -5.557
18 HB3 GLU 3 1HB GLU 3 -8.078 -6.571 -6.305
19 HG2 GLU 3 2HG GLU 3 -10.306 -6.220 -6.042
20 HG3 GLU 3 1HG GLU 3 -9.951 -7.005 -4.503
21 H SER 4 H SER 4 -6.357 -5.244 -6.192
22 HA SER 4 HA SER 4 -3.602 -5.963 -5.460
23 HG SER 4 HG SER 4 -5.506 -7.472 -7.473
24 HB2 SER 4 2HB SER 4 -3.764 -5.358 -8.238
25 HB3 SER 4 1HB SER 4 -3.339 -6.890 -7.478
26 H CYS 5 H CYS 5 -1.961 -4.470 -6.152
27 HA CYS 5 HA CYS 5 -2.892 -1.684 -5.983
28 HB2 CYS 5 2HB CYS 5 -1.106 -2.782 -4.411
29 HB3 CYS 5 1HB CYS 5 -0.024 -2.575 -5.782
30 H LYS 6 H LYS 6 -1.519 -0.134 -7.266
31 HA LYS 6 HA LYS 6 0.140 -0.811 -9.364
32 HB2 LYS 6 2HB LYS 6 -1.153 -0.755 -11.345
33 HB3 LYS 6 1HB LYS 6 -1.979 -1.878 -10.280
34 HG2 LYS 6 2HG LYS 6 -3.850 -0.681 -10.334
35 HG3 LYS 6 1HG LYS 6 -2.990 0.822 -9.991
36 HD2 LYS 6 2HD LYS 6 -2.789 -0.386 -12.715
37 HD3 LYS 6 1HD LYS 6 -4.256 0.492 -12.271
38 HE2 LYS 6 2HE LYS 6 -2.777 2.409 -11.585
39 HE3 LYS 6 1HE LYS 6 -1.428 1.531 -12.306
40 HZ1 LYS 6 3HZ LYS 6 -2.237 3.069 -13.899
41 HZ2 LYS 6 1HZ LYS 6 -3.843 2.570 -13.680
42 HZ3 LYS 6 2HZ LYS 6 -2.724 1.529 -14.416
43 H GLY 7 H GLY 7 -2.374 1.351 -8.216
44 HA2 GLY 7 2HA GLY 7 -0.575 3.601 -8.688
45 HA3 GLY 7 1HA GLY 7 -2.166 3.663 -9.434
46 H ARG 8 H ARG 8 -0.827 2.826 -6.240
47 HA ARG 8 HA ARG 8 -2.747 4.746 -5.087
48 HE ARG 8 HE ARG 8 -5.942 2.396 -6.057
49 HB2 ARG 8 2HB ARG 8 -1.626 2.495 -3.458
50 HB3 ARG 8 1HB ARG 8 -3.121 3.391 -3.236
51 HG2 ARG 8 2HG ARG 8 -3.068 1.912 -5.732
52 HG3 ARG 8 1HG ARG 8 -2.871 0.879 -4.316
53 HD2 ARG 8 2HD ARG 8 -4.980 1.214 -3.620
54 HD3 ARG 8 1HD ARG 8 -4.959 2.922 -4.059
55 HH11 ARG 8 1HH1 ARG 8 -4.636 -0.514 -4.619
56 HH12 ARG 8 2HH1 ARG 8 -5.294 -1.578 -5.826
57 HH21 ARG 8 1HH2 ARG 8 -6.838 1.006 -7.641
58 HH22 ARG 8 2HH2 ARG 8 -6.564 -0.706 -7.544
59 H CYS 9 H CYS 9 0.479 3.326 -4.875
60 HA CYS 9 HA CYS 9 1.460 4.970 -2.809
61 HB2 CYS 9 2HB CYS 9 3.060 3.762 -5.070
62 HB3 CYS 9 1HB CYS 9 3.657 4.230 -3.485
63 H THR 10 H THR 10 0.733 5.574 -6.081
64 HA THR 10 HA THR 10 2.575 7.744 -6.487
65 HB THR 10 HB THR 10 0.875 8.037 -8.508
66 HG1 THR 10 1HG THR 10 -0.696 6.604 -8.111
67 HG21 THR 10 3HG2 THR 10 2.774 5.703 -8.252
68 HG22 THR 10 1HG2 THR 10 3.220 7.348 -8.714
69 HG23 THR 10 2HG2 THR 10 2.180 6.386 -9.766
70 H GLU 11 H GLU 11 -0.428 7.393 -4.955
71 HA GLU 11 HA GLU 11 -0.980 10.274 -5.219
72 HB2 GLU 11 2HB GLU 11 -3.394 9.147 -4.505
73 HB3 GLU 11 1HB GLU 11 -2.951 9.696 -6.111
74 HG2 GLU 11 2HG GLU 11 -2.041 6.996 -5.585
75 HG3 GLU 11 1HG GLU 11 -3.781 7.171 -5.393
76 H GLY 12 H GLY 12 -0.005 7.891 -3.180
77 HA2 GLY 12 2HA GLY 12 0.398 8.021 -0.890
78 HA3 GLY 12 1HA GLY 12 -0.608 9.463 -0.823
79 H PHE 13 H PHE 13 -1.214 8.099 1.194
80 HA PHE 13 HA PHE 13 -2.832 5.816 0.788
81 HD1 PHE 13 1HD PHE 13 -5.256 6.124 3.257
82 HD2 PHE 13 2HD PHE 13 -1.372 4.408 3.432
83 HE1 PHE 13 1HE PHE 13 -6.228 4.043 4.129
84 HE2 PHE 13 2HE PHE 13 -2.323 2.323 4.299
85 HZ PHE 13 HZ PHE 13 -4.760 2.127 4.646
86 HB2 PHE 13 2HB PHE 13 -1.606 6.665 2.947
87 HB3 PHE 13 1HB PHE 13 -3.131 7.498 3.241
88 H ASN 14 H ASN 14 -4.617 5.961 -0.390
89 HA ASN 14 HA ASN 14 -6.577 8.024 0.152
90 HB2 ASN 14 2HB ASN 14 -5.952 6.445 -2.071
91 HB3 ASN 14 1HB ASN 14 -7.470 5.782 -1.464
92 HD21 ASN 14 1HD2 ASN 14 -9.227 6.691 -2.105
93 HD22 ASN 14 2HD2 ASN 14 -9.398 8.290 -2.751
94 H VAL 15 H VAL 15 -7.497 7.707 2.107
95 HA VAL 15 HA VAL 15 -8.014 5.058 3.137
96 HB VAL 15 HB VAL 15 -9.333 7.341 4.473
97 HG11 VAL 15 1HG1 VAL 15 -8.650 4.764 5.128
98 HG12 VAL 15 2HG1 VAL 15 -9.128 6.024 6.268
99 HG13 VAL 15 3HG1 VAL 15 -7.417 5.720 5.956
100 HG21 VAL 15 3HG2 VAL 15 -7.573 8.716 4.362
101 HG22 VAL 15 1HG2 VAL 15 -6.519 7.454 3.723
102 HG23 VAL 15 2HG2 VAL 15 -6.780 7.587 5.461
103 H ASP 16 H ASP 16 -9.192 5.232 0.803
104 HA ASP 16 HA ASP 16 -12.050 5.137 1.408
105 HB2 ASP 16 2HB ASP 16 -12.413 6.971 0.152
106 HB3 ASP 16 1HB ASP 16 -10.739 7.009 -0.388
107 H LYS 17 H LYS 17 -9.318 4.182 -0.557
108 HA LYS 17 HA LYS 17 -10.758 2.473 -2.299
109 HB2 LYS 17 2HB LYS 17 -7.912 3.112 -1.781
110 HB3 LYS 17 1HB LYS 17 -8.248 1.559 -2.538
111 HG2 LYS 17 2HG LYS 17 -9.300 4.178 -3.577
112 HG3 LYS 17 1HG LYS 17 -7.792 3.442 -4.119
113 HD2 LYS 17 2HD LYS 17 -9.085 2.475 -5.682
114 HD3 LYS 17 1HD LYS 17 -9.513 1.359 -4.384
115 HE2 LYS 17 2HE LYS 17 -11.443 2.358 -5.691
116 HE3 LYS 17 1HE LYS 17 -11.534 2.484 -3.937
117 HZ1 LYS 17 3HZ LYS 17 -11.302 4.726 -3.986
118 HZ2 LYS 17 1HZ LYS 17 -11.958 4.536 -5.540
119 HZ3 LYS 17 2HZ LYS 17 -10.285 4.714 -5.344
120 H LYS 18 H LYS 18 -10.113 0.151 -2.522
121 HA LYS 18 HA LYS 18 -10.793 -1.123 -0.001
122 HB2 LYS 18 2HB LYS 18 -10.508 -2.904 -2.286
123 HB3 LYS 18 1HB LYS 18 -11.903 -2.628 -1.252
124 HG2 LYS 18 2HG LYS 18 -11.830 -0.346 -2.771
125 HG3 LYS 18 1HG LYS 18 -11.300 -1.587 -3.908
126 HD2 LYS 18 2HD LYS 18 -13.426 -2.772 -2.628
127 HD3 LYS 18 1HD LYS 18 -13.929 -1.084 -2.762
128 HE2 LYS 18 2HE LYS 18 -14.565 -1.600 -4.839
129 HE3 LYS 18 1HE LYS 18 -12.844 -1.592 -5.229
130 HZ1 LYS 18 3HZ LYS 18 -12.743 -3.951 -4.851
131 HZ2 LYS 18 1HZ LYS 18 -14.002 -3.634 -5.949
132 HZ3 LYS 18 2HZ LYS 18 -14.357 -3.986 -4.328
133 H CYS 19 H CYS 19 -8.276 -1.171 -2.454
134 HA CYS 19 HA CYS 19 -6.590 -2.728 -0.630
135 HB2 CYS 19 2HB CYS 19 -6.914 -3.116 -3.272
136 HB3 CYS 19 1HB CYS 19 -5.594 -1.951 -3.320
137 H GLN 20 H GLN 20 -4.747 -1.838 0.220
138 HA GLN 20 HA GLN 20 -4.454 1.057 -0.195
139 HB2 GLN 20 2HB GLN 20 -4.188 -0.474 2.399
140 HB3 GLN 20 1HB GLN 20 -3.896 1.246 2.201
141 HG2 GLN 20 2HG GLN 20 -6.005 1.298 3.037
142 HG3 GLN 20 1HG GLN 20 -6.373 1.232 1.313
143 HE21 GLN 20 1HE2 GLN 20 -8.436 0.487 2.434
144 HE22 GLN 20 2HE2 GLN 20 -8.618 -1.217 2.649
145 H CYS 21 H CYS 21 -2.511 1.569 -1.005
146 HA CYS 21 HA CYS 21 -0.189 0.337 0.290
147 HB2 CYS 21 2HB CYS 21 0.519 0.913 -2.415
148 HB3 CYS 21 1HB CYS 21 0.520 -0.643 -1.590
149 H ASP 22 H ASP 22 0.778 1.926 1.275
150 HA ASP 22 HA ASP 22 1.711 4.222 -0.182
151 HB2 ASP 22 2HB ASP 22 -0.515 4.979 0.650
152 HB3 ASP 22 1HB ASP 22 -0.001 4.613 2.291
153 H GLU 23 H GLU 23 3.020 5.632 1.596
154 HA GLU 23 HA GLU 23 4.727 3.957 3.141
155 HB2 GLU 23 2HB GLU 23 5.650 6.038 2.537
156 HB3 GLU 23 1HB GLU 23 4.213 6.922 3.031
157 HG2 GLU 23 2HG GLU 23 5.499 7.460 4.787
158 HG3 GLU 23 1HG GLU 23 4.938 5.907 5.399
159 H LEU 24 H LEU 24 1.716 5.637 3.708
160 HA LEU 24 HA LEU 24 1.711 5.263 6.556
161 HG LEU 24 HG LEU 24 1.453 7.775 5.584
162 HB2 LEU 24 2HB LEU 24 -0.289 6.225 4.547
163 HB3 LEU 24 1HB LEU 24 -0.786 5.874 6.190
164 HD11 LEU 24 1HD1 LEU 24 -0.817 8.339 4.489
165 HD12 LEU 24 2HD1 LEU 24 0.006 9.577 5.440
166 HD13 LEU 24 3HD1 LEU 24 -1.341 8.677 6.138
167 HD21 LEU 24 3HD2 LEU 24 0.362 8.657 7.841
168 HD22 LEU 24 1HD2 LEU 24 1.594 7.396 7.819
169 HD23 LEU 24 2HD2 LEU 24 -0.108 6.960 7.965
170 H CYS 25 H CYS 25 1.592 2.970 4.320
171 HA CYS 25 HA CYS 25 -0.811 1.574 4.863
172 HB2 CYS 25 2HB CYS 25 -0.077 0.132 3.299
173 HB3 CYS 25 1HB CYS 25 1.240 1.272 3.057
174 H SER 26 H SER 26 2.348 1.616 6.386
175 HA SER 26 HA SER 26 1.908 -0.614 8.100
176 HG SER 26 HG SER 26 5.111 1.366 7.264
177 HB2 SER 26 2HB SER 26 3.778 1.220 9.235
178 HB3 SER 26 1HB SER 26 4.112 -0.289 8.382
179 H TYR 27 H TYR 27 1.076 2.748 8.193
180 HA TYR 27 HA TYR 27 0.687 2.996 10.991
181 HD1 TYR 27 1HD TYR 27 0.057 5.177 12.301
182 HD2 TYR 27 2HD TYR 27 -2.363 5.600 8.822
183 HE1 TYR 27 1HE TYR 27 -1.618 6.404 13.616
184 HE2 TYR 27 2HE TYR 27 -4.035 6.833 10.130
185 HH TYR 27 HH TYR 27 -3.426 8.064 13.208
186 HB2 TYR 27 2HB TYR 27 0.947 5.018 9.781
187 HB3 TYR 27 1HB TYR 27 -0.296 4.578 8.618
188 H TYR 28 H TYR 28 -1.498 2.235 8.303
189 HA TYR 28 HA TYR 28 -3.728 1.831 10.119
190 HD1 TYR 28 1HD TYR 28 -2.609 3.745 6.869
191 HD2 TYR 28 2HD TYR 28 -6.320 2.971 8.790
192 HE1 TYR 28 1HE TYR 28 -3.224 6.109 6.611
193 HE2 TYR 28 2HE TYR 28 -6.951 5.336 8.538
194 HH TYR 28 HH TYR 28 -4.921 7.582 6.724
195 HB2 TYR 28 2HB TYR 28 -3.455 1.459 7.129
196 HB3 TYR 28 1HB TYR 28 -4.941 1.157 8.021
197 H GLN 29 H GLN 29 -1.158 0.040 8.858
198 HA GLN 29 HA GLN 29 -0.538 -2.134 8.895
199 HB2 GLN 29 2HB GLN 29 -2.428 -1.891 11.149
200 HB3 GLN 29 1HB GLN 29 -2.159 -3.530 10.573
201 HG2 GLN 29 2HG GLN 29 0.066 -1.650 11.311
202 HG3 GLN 29 1HG GLN 29 -0.673 -2.778 12.446
203 HE21 GLN 29 1HE2 GLN 29 2.063 -2.677 11.559
204 HE22 GLN 29 2HE2 GLN 29 2.394 -4.215 10.828
205 H SER 30 H SER 30 -2.247 -1.336 6.866
206 HA SER 30 HA SER 30 -3.521 -3.866 6.195
207 HG SER 30 HG SER 30 -4.645 -2.568 8.113
208 HB2 SER 30 2HB SER 30 -5.018 -1.265 5.844
209 HB3 SER 30 1HB SER 30 -5.633 -2.902 5.620
210 H CYS 31 H CYS 31 -1.468 -3.713 4.907
211 HA CYS 31 HA CYS 31 -1.778 -2.031 2.518
212 HB2 CYS 31 2HB CYS 31 0.608 -3.760 2.766
213 HB3 CYS 31 1HB CYS 31 0.486 -2.072 2.284
214 H CYS 32 H CYS 32 -1.562 -2.992 0.413
215 HA CYS 32 HA CYS 32 -2.922 -5.418 0.020
216 HB2 CYS 32 2HB CYS 32 -1.022 -4.039 -1.891
217 HB3 CYS 32 1HB CYS 32 -2.261 -5.215 -2.318
218 H THR 33 H THR 33 -2.217 -7.481 -0.475
219 HA THR 33 HA THR 33 0.198 -8.362 0.685
220 HB THR 33 HB THR 33 -1.111 -10.072 -1.357
221 HG1 THR 33 1HG THR 33 -3.040 -9.754 -0.562
222 HG21 THR 33 3HG2 THR 33 -0.813 -10.854 1.482
223 HG22 THR 33 1HG2 THR 33 0.676 -10.560 0.585
224 HG23 THR 33 2HG2 THR 33 -0.472 -11.772 0.015
225 H ASP 34 H ASP 34 -0.647 -7.321 -2.522
226 HA ASP 34 HA ASP 34 1.936 -8.247 -3.569
227 HB2 ASP 34 2HB ASP 34 -0.708 -7.665 -4.748
228 HB3 ASP 34 1HB ASP 34 0.672 -7.146 -5.711
229 H TYR 35 H TYR 35 1.617 -5.970 -1.724
230 HA TYR 35 HA TYR 35 1.748 -3.513 -3.140
231 HD1 TYR 35 1HD TYR 35 2.203 -1.069 -2.066
232 HD2 TYR 35 2HD TYR 35 4.157 -3.528 0.804
233 HE1 TYR 35 1HE TYR 35 3.618 0.816 -1.432
234 HE2 TYR 35 2HE TYR 35 5.602 -1.643 1.435
235 HH TYR 35 HH TYR 35 5.094 1.256 1.112
236 HB2 TYR 35 2HB TYR 35 1.156 -3.269 -0.898
237 HB3 TYR 35 1HB TYR 35 2.382 -4.399 -0.346
238 H THR 36 H THR 36 4.125 -5.811 -1.986
239 HA THR 36 HA THR 36 6.386 -4.240 -2.726
240 HB THR 36 HB THR 36 7.280 -6.827 -2.601
241 HG1 THR 36 1HG THR 36 5.833 -7.263 -0.490
242 HG21 THR 36 3HG2 THR 36 7.739 -4.591 -1.269
243 HG22 THR 36 1HG2 THR 36 8.226 -6.160 -0.621
244 HG23 THR 36 2HG2 THR 36 6.741 -5.393 -0.053
245 H ALA 37 H ALA 37 4.434 -6.701 -4.270
246 HA ALA 37 HA ALA 37 6.156 -7.173 -6.479
247 HB1 ALA 37 3HB ALA 37 3.411 -7.914 -5.704
248 HB2 ALA 37 1HB ALA 37 4.721 -8.906 -6.351
249 HB3 ALA 37 2HB ALA 37 3.754 -7.905 -7.437
250 H GLU 38 H GLU 38 3.243 -5.176 -6.087
251 HA GLU 38 HA GLU 38 3.447 -4.243 -8.824
252 HB2 GLU 38 2HB GLU 38 1.433 -4.013 -6.634
253 HB3 GLU 38 1HB GLU 38 1.372 -2.873 -7.974
254 HG2 GLU 38 2HG GLU 38 0.509 -4.376 -9.354
255 HG3 GLU 38 1HG GLU 38 1.654 -5.621 -8.861
256 H CYS 39 H CYS 39 3.672 -2.833 -5.558
257 HA CYS 39 HA CYS 39 4.094 -0.206 -6.735
258 HB2 CYS 39 2HB CYS 39 2.610 -0.264 -4.860
259 HB3 CYS 39 1HB CYS 39 3.781 -1.134 -3.875
260 H LYS 40 H LYS 40 5.868 -2.591 -4.843
261 HA LYS 40 HA LYS 40 8.079 -3.046 -4.686
262 HB2 LYS 40 2HB LYS 40 8.011 -1.377 -7.162
263 HB3 LYS 40 1HB LYS 40 9.559 -1.845 -6.474
264 HG2 LYS 40 2HG LYS 40 7.501 -3.942 -6.938
265 HG3 LYS 40 1HG LYS 40 8.403 -3.298 -8.314
266 HD2 LYS 40 2HD LYS 40 10.491 -3.930 -7.318
267 HD3 LYS 40 1HD LYS 40 9.691 -4.391 -5.814
268 HE2 LYS 40 2HE LYS 40 8.949 -6.362 -6.653
269 HE3 LYS 40 1HE LYS 40 8.751 -5.718 -8.283
270 HZ1 LYS 40 3HZ LYS 40 10.541 -7.063 -8.593
271 HZ2 LYS 40 1HZ LYS 40 11.123 -6.868 -7.011
272 HZ3 LYS 40 2HZ LYS 40 11.352 -5.641 -8.157
273 HA PRO 41 HA PRO 41 9.259 0.725 -2.354
274 HB2 PRO 41 2HB PRO 41 9.262 -0.326 0.083
275 HB3 PRO 41 1HB PRO 41 7.732 0.091 -0.703
276 HG2 PRO 41 2HG PRO 41 9.058 -2.582 -0.441
277 HG3 PRO 41 1HG PRO 41 7.351 -2.159 -0.214
278 HD2 PRO 41 2HD PRO 41 8.402 -3.253 -2.519
279 HD3 PRO 41 1HD PRO 41 6.908 -2.298 -2.449
280 H GLN 42 H GLN 42 10.780 -1.510 -3.709
281 HA GLN 42 HA GLN 42 12.777 -2.833 -2.871
282 HB2 GLN 42 2HB GLN 42 12.491 -1.729 -5.185
283 HB3 GLN 42 1HB GLN 42 13.597 -0.503 -4.576
284 HG2 GLN 42 2HG GLN 42 14.652 -3.110 -4.040
285 HG3 GLN 42 1HG GLN 42 14.222 -2.972 -5.744
286 HE21 GLN 42 1HE2 GLN 42 15.266 -0.327 -3.688
287 HE22 GLN 42 2HE2 GLN 42 16.759 -0.027 -4.513
288 H VAL 43 H VAL 43 13.766 -2.787 -1.029
289 HA VAL 43 HA VAL 43 14.607 -0.347 0.240
290 HB VAL 43 HB VAL 43 15.563 -2.912 1.351
291 HG11 VAL 43 1HG1 VAL 43 14.000 -0.619 2.531
292 HG12 VAL 43 2HG1 VAL 43 15.758 -0.766 2.530
293 HG13 VAL 43 3HG1 VAL 43 14.777 -1.925 3.428
294 HG21 VAL 43 3HG2 VAL 43 13.635 -4.017 1.070
295 HG22 VAL 43 1HG2 VAL 43 12.788 -2.569 0.520
296 HG23 VAL 43 2HG2 VAL 43 12.955 -2.895 2.247
297 H THR 44 H THR 44 16.672 0.374 0.559
298 HA THR 44 HA THR 44 18.653 -0.433 -1.335
299 HB THR 44 HB THR 44 19.569 1.314 0.820
300 HG1 THR 44 1HG THR 44 17.862 2.548 0.956
301 HG21 THR 44 3HG2 THR 44 19.166 2.334 -1.917
302 HG22 THR 44 1HG2 THR 44 20.210 0.920 -1.780
303 HG23 THR 44 2HG2 THR 44 20.593 2.389 -0.884
304 H ARG 45 H ARG 45 20.874 -0.978 -0.750
305 HA ARG 45 HA ARG 45 20.910 -2.956 1.393
306 HE ARG 45 HE ARG 45 25.123 -5.775 1.266
307 HB2 ARG 45 2HB ARG 45 21.739 -3.183 -1.128
308 HB3 ARG 45 1HB ARG 45 23.223 -2.546 -0.435
309 HG2 ARG 45 2HG ARG 45 22.745 -4.473 1.340
310 HG3 ARG 45 1HG ARG 45 21.923 -5.173 -0.056
311 HD2 ARG 45 2HD ARG 45 23.915 -5.902 -0.738
312 HD3 ARG 45 1HD ARG 45 24.320 -4.221 -1.079
313 HH11 ARG 45 1HH1 ARG 45 25.230 -2.769 -0.536
314 HH12 ARG 45 2HH1 ARG 45 26.571 -2.128 0.372
315 HH21 ARG 45 1HH2 ARG 45 26.911 -4.958 2.420
316 HH22 ARG 45 2HH2 ARG 45 27.526 -3.378 2.041
317 H GLY 46 H GLY 46 22.559 -3.031 2.979
318 HA2 GLY 46 2HA GLY 46 24.765 -1.924 3.593
319 HA3 GLY 46 1HA GLY 46 23.861 -0.426 3.444
320 H ASP 47 H ASP 47 21.435 -1.550 4.597
321 HA ASP 47 HA ASP 47 22.161 -2.260 7.315
322 HB2 ASP 47 2HB ASP 47 22.315 0.116 7.529
323 HB3 ASP 47 1HB ASP 47 20.838 0.359 6.602
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