Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505594 | 2ytd RC | 10307 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -0.235 -28.264 4.971
2 HA2 GLY 1 1HA GLY 1 0.933 -26.561 2.905
3 HA3 GLY 1 2HA GLY 1 -0.806 -26.806 2.842
4 H SER 2 H SER 2 -0.937 -24.479 3.106
5 HA SER 2 HA SER 2 -0.330 -23.534 5.818
6 HB2 SER 2 1HB SER 2 -0.729 -22.159 3.184
7 HB3 SER 2 2HB SER 2 -1.005 -21.267 4.679
8 HG SER 2 HG SER 2 1.294 -21.724 3.505
9 H SER 3 H SER 3 -1.942 -22.067 6.822
10 HA SER 3 HA SER 3 -4.708 -22.670 6.055
11 HB2 SER 3 1HB SER 3 -5.343 -23.319 8.252
12 HB3 SER 3 2HB SER 3 -3.870 -24.222 7.898
13 HG SER 3 HG SER 3 -3.409 -23.392 9.821
14 H GLY 4 H GLY 4 -6.181 -21.058 6.470
15 HA2 GLY 4 1HA GLY 4 -6.188 -18.997 8.203
16 HA3 GLY 4 2HA GLY 4 -5.050 -18.441 6.985
17 H SER 5 H SER 5 -5.945 -17.105 5.579
18 HA SER 5 HA SER 5 -7.646 -15.922 4.549
19 HB2 SER 5 1HB SER 5 -8.529 -17.171 2.653
20 HB3 SER 5 2HB SER 5 -6.833 -17.590 2.899
21 HG SER 5 HG SER 5 -9.129 -19.126 3.289
22 H SER 6 H SER 6 -8.508 -16.618 7.100
23 HA SER 6 HA SER 6 -11.235 -17.628 6.763
24 HB2 SER 6 1HB SER 6 -9.725 -16.965 9.303
25 HB3 SER 6 2HB SER 6 -11.300 -17.753 9.207
26 HG SER 6 HG SER 6 -8.761 -18.765 8.686
27 H GLY 7 H GLY 7 -12.900 -16.285 6.596
28 HA2 GLY 7 1HA GLY 7 -14.245 -14.463 7.253
29 HA3 GLY 7 2HA GLY 7 -12.829 -13.707 7.969
30 H SER 8 H SER 8 -14.217 -14.609 4.825
31 HA SER 8 HA SER 8 -12.570 -13.120 3.177
32 HB2 SER 8 1HB SER 8 -14.254 -14.711 2.341
33 HB3 SER 8 2HB SER 8 -15.540 -13.609 2.834
34 HG SER 8 HG SER 8 -13.848 -13.500 0.654
35 H GLY 9 H GLY 9 -12.687 -11.042 2.282
36 HA2 GLY 9 1HA GLY 9 -14.038 -8.947 2.142
37 HA3 GLY 9 2HA GLY 9 -14.288 -9.132 3.871
38 H GLU 10 H GLU 10 -12.190 -7.999 1.397
39 HA GLU 10 HA GLU 10 -10.426 -6.870 3.455
40 HB2 GLU 10 1HB GLU 10 -9.446 -8.913 2.233
41 HB3 GLU 10 2HB GLU 10 -9.340 -7.860 0.829
42 HG2 GLU 10 1HG GLU 10 -8.176 -6.900 3.383
43 HG3 GLU 10 2HG GLU 10 -7.326 -8.166 2.500
44 H LYS 11 H LYS 11 -9.923 -4.771 3.173
45 HA LYS 11 HA LYS 11 -11.357 -3.022 1.717
46 HB2 LYS 11 1HB LYS 11 -8.544 -2.946 2.705
47 HB3 LYS 11 2HB LYS 11 -9.083 -1.652 1.642
48 HG2 LYS 11 1HG LYS 11 -10.538 -0.802 3.182
49 HG3 LYS 11 2HG LYS 11 -10.783 -2.360 3.975
50 HD2 LYS 11 1HD LYS 11 -8.096 -1.062 4.093
51 HD3 LYS 11 2HD LYS 11 -9.387 -0.475 5.144
52 HE2 LYS 11 1HE LYS 11 -8.860 -3.405 5.004
53 HE3 LYS 11 2HE LYS 11 -7.753 -2.387 5.923
54 HZ1 LYS 11 3HZ LYS 11 -9.191 -2.498 7.586
55 HZ2 LYS 11 1HZ LYS 11 -10.336 -3.303 6.635
56 HZ3 LYS 11 2HZ LYS 11 -10.297 -1.612 6.663
57 HA PRO 12 HA PRO 12 -10.475 -3.598 -2.557
58 HB2 PRO 12 1HB PRO 12 -11.169 -1.141 -3.479
59 HB3 PRO 12 2HB PRO 12 -12.357 -2.343 -2.961
60 HG2 PRO 12 1HG PRO 12 -11.269 0.010 -1.466
61 HG3 PRO 12 2HG PRO 12 -12.940 -0.573 -1.571
62 HD2 PRO 12 1HD PRO 12 -11.350 -1.085 0.560
63 HD3 PRO 12 2HD PRO 12 -12.597 -2.219 0.006
64 H TYR 13 H TYR 13 -9.158 -0.776 -0.893
65 HA TYR 13 HA TYR 13 -6.990 -0.638 -2.871
66 HB2 TYR 13 1HB TYR 13 -7.603 1.402 -0.734
67 HB3 TYR 13 2HB TYR 13 -6.599 1.606 -2.165
68 HD1 TYR 13 HD1 TYR 13 -7.707 1.625 -4.431
69 HD2 TYR 13 HD2 TYR 13 -9.922 1.830 -0.804
70 HE1 TYR 13 HE1 TYR 13 -9.644 2.497 -5.671
71 HE2 TYR 13 HE2 TYR 13 -11.866 2.701 -2.034
72 HH TYR 13 HH TYR 13 -12.472 2.407 -4.965
73 H LYS 14 H LYS 14 -4.980 -1.218 -2.347
74 HA LYS 14 HA LYS 14 -4.219 -1.385 0.477
75 HB2 LYS 14 1HB LYS 14 -5.020 -3.635 -0.478
76 HB3 LYS 14 2HB LYS 14 -3.543 -3.612 -1.433
77 HG2 LYS 14 1HG LYS 14 -2.457 -3.168 0.943
78 HG3 LYS 14 2HG LYS 14 -3.918 -4.000 1.481
79 HD2 LYS 14 1HD LYS 14 -3.387 -5.931 0.189
80 HD3 LYS 14 2HD LYS 14 -2.077 -5.089 -0.642
81 HE2 LYS 14 1HE LYS 14 -0.953 -4.846 1.589
82 HE3 LYS 14 2HE LYS 14 -2.191 -5.910 2.255
83 HZ1 LYS 14 3HZ LYS 14 -1.295 -7.277 0.095
84 HZ2 LYS 14 1HZ LYS 14 -0.806 -7.544 1.693
85 HZ3 LYS 14 2HZ LYS 14 0.120 -6.557 0.679
86 H CYS 15 H CYS 15 -2.170 -0.757 0.883
87 HA CYS 15 HA CYS 15 -0.670 0.454 -1.233
88 HB2 CYS 15 1HB CYS 15 -0.627 1.532 0.902
89 HB3 CYS 15 2HB CYS 15 -0.112 0.053 1.707
90 H SER 16 H SER 16 0.678 -0.559 -2.549
91 HA SER 16 HA SER 16 1.748 -3.168 -1.778
92 HB2 SER 16 1HB SER 16 0.583 -2.866 -3.983
93 HB3 SER 16 2HB SER 16 1.904 -1.806 -4.475
94 HG SER 16 HG SER 16 2.478 -4.375 -3.499
95 H GLU 17 H GLU 17 2.899 -1.091 -0.394
96 HA GLU 17 HA GLU 17 5.613 -1.068 -1.527
97 HB2 GLU 17 1HB GLU 17 4.203 1.233 -0.167
98 HB3 GLU 17 2HB GLU 17 5.920 1.206 -0.543
99 HG2 GLU 17 1HG GLU 17 3.680 1.048 -2.547
100 HG3 GLU 17 2HG GLU 17 4.651 2.475 -2.190
101 H CYS 18 H CYS 18 3.625 -0.729 1.385
102 HA CYS 18 HA CYS 18 5.869 -1.834 2.944
103 HB2 CYS 18 1HB CYS 18 4.996 -0.600 4.892
104 HB3 CYS 18 2HB CYS 18 5.446 0.484 3.580
105 H GLY 19 H GLY 19 2.337 -1.638 2.664
106 HA2 GLY 19 1HA GLY 19 1.304 -3.949 2.659
107 HA3 GLY 19 2HA GLY 19 2.164 -4.169 4.176
108 H LYS 20 H LYS 20 0.575 -1.196 3.184
109 HA LYS 20 HA LYS 20 -1.167 -1.425 5.529
110 HB2 LYS 20 1HB LYS 20 -0.253 0.901 3.852
111 HB3 LYS 20 2HB LYS 20 -1.614 1.049 4.956
112 HG2 LYS 20 1HG LYS 20 -0.222 0.537 6.837
113 HG3 LYS 20 2HG LYS 20 1.143 0.165 5.782
114 HD2 LYS 20 1HD LYS 20 0.947 2.562 4.949
115 HD3 LYS 20 2HD LYS 20 -0.130 2.838 6.320
116 HE2 LYS 20 1HE LYS 20 2.549 1.588 6.759
117 HE3 LYS 20 2HE LYS 20 2.425 3.332 6.533
118 HZ1 LYS 20 3HZ LYS 20 2.345 2.759 8.868
119 HZ2 LYS 20 1HZ LYS 20 1.016 1.744 8.610
120 HZ3 LYS 20 2HZ LYS 20 0.862 3.413 8.385
121 H ALA 21 H ALA 21 -3.399 -0.516 5.293
122 HA ALA 21 HA ALA 21 -4.555 -0.725 2.632
123 HB1 ALA 21 3HB ALA 21 -5.122 -2.662 4.843
124 HB2 ALA 21 1HB ALA 21 -6.345 -2.295 3.626
125 HB3 ALA 21 2HB ALA 21 -4.793 -2.979 3.140
126 H PHE 22 H PHE 22 -6.486 0.368 2.403
127 HA PHE 22 HA PHE 22 -7.701 1.550 4.786
128 HB2 PHE 22 1HB PHE 22 -7.105 3.281 2.397
129 HB3 PHE 22 2HB PHE 22 -7.561 3.775 4.024
130 HD1 PHE 22 HD1 PHE 22 -4.826 2.277 2.032
131 HD2 PHE 22 HD2 PHE 22 -5.936 4.232 5.646
132 HE1 PHE 22 HE1 PHE 22 -2.449 2.559 2.605
133 HE2 PHE 22 HE2 PHE 22 -3.561 4.517 6.225
134 HZ PHE 22 HZ PHE 22 -1.815 3.681 4.703
135 H HIS 23 H HIS 23 -9.829 2.478 4.373
136 HA HIS 23 HA HIS 23 -11.262 0.907 2.391
137 HB2 HIS 23 1HB HIS 23 -12.095 1.069 4.725
138 HB3 HIS 23 2HB HIS 23 -12.339 2.798 4.493
139 HD1 HIS 23 HD1 HIS 23 -13.831 -0.515 3.734
140 HD2 HIS 23 HD2 HIS 23 -14.519 3.478 2.817
141 HE1 HIS 23 HE1 HIS 23 -16.143 -0.441 2.749
142 H ARG 24 H ARG 24 -10.511 4.266 3.106
143 HA ARG 24 HA ARG 24 -11.979 5.114 0.712
144 HB2 ARG 24 1HB ARG 24 -10.825 6.702 3.009
145 HB3 ARG 24 2HB ARG 24 -11.591 7.422 1.599
146 HG2 ARG 24 1HG ARG 24 -13.363 7.409 3.013
147 HG3 ARG 24 2HG ARG 24 -13.565 5.808 2.300
148 HD2 ARG 24 1HD ARG 24 -12.370 4.817 4.192
149 HD3 ARG 24 2HD ARG 24 -12.166 6.419 4.901
150 HE ARG 24 HE ARG 24 -14.895 5.984 4.461
151 HH11 ARG 24 1HH1 ARG 24 -12.303 4.793 6.456
152 HH12 ARG 24 2HH1 ARG 24 -13.342 4.348 7.769
153 HH21 ARG 24 1HH2 ARG 24 -16.274 5.403 6.182
154 HH22 ARG 24 2HH2 ARG 24 -15.601 4.695 7.612
155 H HIS 25 H HIS 25 -10.766 4.971 -1.067
156 HA HIS 25 HA HIS 25 -8.117 4.747 -1.430
157 HB2 HIS 25 1HB HIS 25 -9.414 4.656 -3.378
158 HB3 HIS 25 2HB HIS 25 -10.155 6.224 -3.072
159 HD1 HIS 25 HD1 HIS 25 -8.318 8.298 -3.227
160 HD2 HIS 25 HD2 HIS 25 -7.437 4.759 -5.217
161 HE1 HIS 25 HE1 HIS 25 -6.573 8.903 -4.933
162 H THR 26 H THR 26 -9.817 7.809 -0.918
163 HA THR 26 HA THR 26 -7.894 9.670 -1.370
164 HB THR 26 HB THR 26 -9.743 9.630 1.024
165 HG1 THR 26 HG1 THR 26 -10.815 9.494 -1.015
166 HG21 THR 26 3HG2 THR 26 -8.021 11.286 1.346
167 HG22 THR 26 1HG2 THR 26 -9.517 12.106 0.900
168 HG23 THR 26 2HG2 THR 26 -8.239 11.891 -0.296
169 H HIS 27 H HIS 27 -8.371 8.151 1.827
170 HA HIS 27 HA HIS 27 -6.153 9.158 3.103
171 HB2 HIS 27 1HB HIS 27 -7.474 6.458 3.406
172 HB3 HIS 27 2HB HIS 27 -6.240 7.063 4.507
173 HD1 HIS 27 HD1 HIS 27 -9.079 6.417 5.508
174 HD2 HIS 27 HD2 HIS 27 -7.829 10.188 4.293
175 HE1 HIS 27 HE1 HIS 27 -10.631 8.038 6.642
176 H LEU 28 H LEU 28 -6.335 6.015 1.423
177 HA LEU 28 HA LEU 28 -3.784 5.125 1.685
178 HB2 LEU 28 1HB LEU 28 -5.319 3.764 0.538
179 HB3 LEU 28 2HB LEU 28 -5.642 5.007 -0.668
180 HG LEU 28 HG LEU 28 -3.278 4.669 -1.481
181 HD11 LEU 28 1HD1 LEU 28 -2.845 2.038 -0.700
182 HD12 LEU 28 2HD1 LEU 28 -3.269 2.884 0.787
183 HD13 LEU 28 3HD1 LEU 28 -1.927 3.459 -0.200
184 HD21 LEU 28 3HD2 LEU 28 -5.620 3.357 -2.095
185 HD22 LEU 28 1HD2 LEU 28 -4.462 2.043 -1.887
186 HD23 LEU 28 2HD2 LEU 28 -4.135 3.331 -3.047
187 H ASN 29 H ASN 29 -4.896 7.292 -0.919
188 HA ASN 29 HA ASN 29 -2.447 7.688 -2.165
189 HB2 ASN 29 1HB ASN 29 -4.703 8.437 -3.000
190 HB3 ASN 29 2HB ASN 29 -4.603 9.787 -1.874
191 HD21 ASN 29 1HD2 ASN 29 -4.526 11.400 -3.355
192 HD22 ASN 29 2HD2 ASN 29 -3.218 11.629 -4.460
193 H GLU 30 H GLU 30 -3.946 9.594 0.439
194 HA GLU 30 HA GLU 30 -1.976 11.530 0.719
195 HB2 GLU 30 1HB GLU 30 -4.306 11.198 1.903
196 HB3 GLU 30 2HB GLU 30 -3.330 10.434 3.149
197 HG2 GLU 30 1HG GLU 30 -2.568 13.130 2.134
198 HG3 GLU 30 2HG GLU 30 -3.893 12.969 3.285
199 H HIS 31 H HIS 31 -2.050 8.220 1.828
200 HA HIS 31 HA HIS 31 0.149 8.441 3.631
201 HB2 HIS 31 1HB HIS 31 -1.197 6.602 4.091
202 HB3 HIS 31 2HB HIS 31 -1.358 6.167 2.392
203 HD1 HIS 31 HD1 HIS 31 1.407 6.255 5.010
204 HD2 HIS 31 HD2 HIS 31 0.180 4.055 1.706
205 HE1 HIS 31 HE1 HIS 31 3.018 4.330 4.848
206 H ARG 32 H ARG 32 -0.143 6.974 0.392
207 HA ARG 32 HA ARG 32 2.382 6.175 -0.111
208 HB2 ARG 32 1HB ARG 32 0.343 7.487 -1.862
209 HB3 ARG 32 2HB ARG 32 1.942 7.156 -2.513
210 HG2 ARG 32 1HG ARG 32 1.653 4.887 -2.449
211 HG3 ARG 32 2HG ARG 32 0.481 4.964 -1.132
212 HD2 ARG 32 1HD ARG 32 -1.050 6.130 -2.826
213 HD3 ARG 32 2HD ARG 32 0.073 5.538 -4.050
214 HE ARG 32 HE ARG 32 -1.840 3.992 -2.549
215 HH11 ARG 32 1HH1 ARG 32 1.099 3.920 -4.415
216 HH12 ARG 32 2HH1 ARG 32 0.940 2.249 -4.843
217 HH21 ARG 32 1HH2 ARG 32 -2.060 1.791 -3.106
218 HH22 ARG 32 2HH2 ARG 32 -0.857 1.039 -4.099
219 H ARG 33 H ARG 33 1.289 9.481 0.134
220 HA ARG 33 HA ARG 33 3.211 10.953 -1.088
221 HB2 ARG 33 1HB ARG 33 1.797 11.342 1.529
222 HB3 ARG 33 2HB ARG 33 3.007 12.503 0.999
223 HG2 ARG 33 1HG ARG 33 1.745 12.966 -1.005
224 HG3 ARG 33 2HG ARG 33 0.567 11.722 -0.581
225 HD2 ARG 33 1HD ARG 33 -0.494 13.640 0.137
226 HD3 ARG 33 2HD ARG 33 0.306 13.096 1.611
227 HE ARG 33 HE ARG 33 1.488 15.039 1.589
228 HH11 ARG 33 1HH1 ARG 33 0.453 14.351 -1.663
229 HH12 ARG 33 2HH1 ARG 33 1.099 15.819 -2.318
230 HH21 ARG 33 1HH2 ARG 33 2.342 16.976 0.739
231 HH22 ARG 33 2HH2 ARG 33 2.174 17.311 -0.951
232 H ILE 34 H ILE 34 3.520 9.304 2.027
233 HA ILE 34 HA ILE 34 6.158 10.263 2.545
234 HB ILE 34 HB ILE 34 6.187 8.852 4.430
235 HG12 ILE 34 1HG1 ILE 34 4.156 7.124 4.557
236 HG13 ILE 34 2HG1 ILE 34 4.332 7.179 2.807
237 HG21 ILE 34 1HG2 ILE 34 3.564 10.063 3.768
238 HG22 ILE 34 2HG2 ILE 34 3.644 9.023 5.190
239 HG23 ILE 34 3HG2 ILE 34 4.691 10.438 5.072
240 HD11 ILE 34 3HD1 ILE 34 5.976 5.876 4.807
241 HD12 ILE 34 1HD1 ILE 34 5.860 5.591 3.071
242 HD13 ILE 34 2HD1 ILE 34 6.915 6.863 3.687
243 H HIS 35 H HIS 35 4.816 7.548 0.831
244 HA HIS 35 HA HIS 35 7.195 5.979 0.764
245 HB2 HIS 35 1HB HIS 35 4.545 5.914 -0.591
246 HB3 HIS 35 2HB HIS 35 5.869 5.038 -1.354
247 HD1 HIS 35 HD1 HIS 35 7.228 3.515 0.673
248 HD2 HIS 35 HD2 HIS 35 3.154 4.258 1.008
249 HE1 HIS 35 HE1 HIS 35 6.348 1.747 2.230
250 H THR 36 H THR 36 5.881 8.550 -1.200
251 HA THR 36 HA THR 36 7.789 8.163 -3.337
252 HB THR 36 HB THR 36 5.502 9.054 -3.768
253 HG1 THR 36 HG1 THR 36 6.463 11.018 -4.965
254 HG21 THR 36 3HG2 THR 36 5.478 11.670 -3.327
255 HG22 THR 36 1HG2 THR 36 6.513 11.204 -1.978
256 HG23 THR 36 2HG2 THR 36 4.892 10.523 -2.122
257 H GLY 37 H GLY 37 8.930 8.571 -0.730
258 HA2 GLY 37 1HA GLY 37 10.361 9.981 0.441
259 HA3 GLY 37 2HA GLY 37 11.111 10.065 -1.146
260 H TYR 38 H TYR 38 8.996 11.671 1.124
261 HA TYR 38 HA TYR 38 8.742 14.007 -0.592
262 HB2 TYR 38 1HB TYR 38 6.830 13.158 0.800
263 HB3 TYR 38 2HB TYR 38 7.732 13.638 2.233
264 HD1 TYR 38 HD2 TYR 38 8.229 16.058 2.616
265 HD2 TYR 38 HD1 TYR 38 5.623 14.750 -0.483
266 HE1 TYR 38 HE2 TYR 38 7.300 18.329 2.447
267 HE2 TYR 38 HE1 TYR 38 4.688 17.018 -0.662
268 HH TYR 38 HH TYR 38 5.026 19.331 1.624
269 H ARG 39 H ARG 39 10.792 14.874 -0.706
270 HA ARG 39 HA ARG 39 11.972 15.780 1.836
271 HB2 ARG 39 1HB ARG 39 13.328 15.364 -0.835
272 HB3 ARG 39 2HB ARG 39 14.115 15.889 0.647
273 HG2 ARG 39 1HG ARG 39 13.990 13.805 1.614
274 HG3 ARG 39 2HG ARG 39 12.627 13.306 0.611
275 HD2 ARG 39 1HD ARG 39 13.978 12.867 -1.227
276 HD3 ARG 39 2HD ARG 39 15.290 13.879 -0.625
277 HE ARG 39 HE ARG 39 14.718 11.567 1.001
278 HH11 ARG 39 1HH1 ARG 39 16.547 12.842 -1.673
279 HH12 ARG 39 2HH1 ARG 39 17.795 11.646 -1.559
280 HH21 ARG 39 1HH2 ARG 39 16.354 9.986 1.161
281 HH22 ARG 39 2HH2 ARG 39 17.684 10.021 0.052
282 HA PRO 40 HA PRO 40 11.136 19.946 0.688
283 HB2 PRO 40 1HB PRO 40 13.041 21.195 2.164
284 HB3 PRO 40 2HB PRO 40 11.590 20.481 2.876
285 HG2 PRO 40 1HG PRO 40 14.363 19.366 2.711
286 HG3 PRO 40 2HG PRO 40 13.228 19.347 4.074
287 HD2 PRO 40 1HD PRO 40 13.609 17.203 2.464
288 HD3 PRO 40 2HD PRO 40 12.046 17.559 3.227
289 H SER 41 H SER 41 14.619 19.169 0.820
290 HA SER 41 HA SER 41 15.266 21.134 -1.170
291 HB2 SER 41 1HB SER 41 16.933 18.912 0.037
292 HB3 SER 41 2HB SER 41 17.556 20.187 -1.010
293 HG SER 41 HG SER 41 16.984 20.255 1.644
294 H GLY 42 H GLY 42 15.420 20.894 -3.316
295 HA2 GLY 42 1HA GLY 42 14.826 18.237 -4.421
296 HA3 GLY 42 2HA GLY 42 14.610 19.768 -5.257
297 HA PRO 43 HA PRO 43 18.491 17.788 -6.839
298 HB2 PRO 43 1HB PRO 43 17.932 18.240 -9.457
299 HB3 PRO 43 2HB PRO 43 17.365 16.810 -8.587
300 HG2 PRO 43 1HG PRO 43 15.900 19.340 -9.231
301 HG3 PRO 43 2HG PRO 43 15.334 17.663 -9.333
302 HD2 PRO 43 1HD PRO 43 14.701 19.290 -7.263
303 HD3 PRO 43 2HD PRO 43 14.905 17.537 -7.072
304 H SER 44 H SER 44 16.925 20.849 -7.157
305 HA SER 44 HA SER 44 19.526 22.094 -7.746
306 HB2 SER 44 1HB SER 44 17.854 22.081 -9.702
307 HB3 SER 44 2HB SER 44 16.926 23.242 -8.753
308 HG SER 44 HG SER 44 18.368 24.734 -9.157
309 H SER 45 H SER 45 19.477 24.495 -7.187
310 HA SER 45 HA SER 45 17.952 24.878 -4.693
311 HB2 SER 45 1HB SER 45 20.422 24.531 -4.379
312 HB3 SER 45 2HB SER 45 20.691 26.013 -5.296
313 HG SER 45 HG SER 45 20.448 26.970 -3.447
314 H GLY 46 H GLY 46 16.494 26.440 -4.848
315 HA2 GLY 46 1HA GLY 46 17.185 28.973 -6.078
316 HA3 GLY 46 2HA GLY 46 15.914 28.080 -6.898
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -1.036 -16.588 18.384
2 HA2 GLY 1 1HA GLY 1 -2.627 -16.033 16.599
3 HA3 GLY 1 2HA GLY 1 -1.046 -15.368 16.211
4 H SER 2 H SER 2 -2.316 -18.687 16.042
5 HA SER 2 HA SER 2 -1.096 -19.092 13.479
6 HB2 SER 2 1HB SER 2 -1.298 -20.914 15.143
7 HB3 SER 2 2HB SER 2 -3.053 -20.854 14.975
8 HG SER 2 HG SER 2 -1.560 -21.149 12.644
9 H SER 3 H SER 3 -4.482 -19.137 14.600
10 HA SER 3 HA SER 3 -5.589 -19.251 11.998
11 HB2 SER 3 1HB SER 3 -7.724 -18.759 13.091
12 HB3 SER 3 2HB SER 3 -6.822 -19.956 14.020
13 HG SER 3 HG SER 3 -7.641 -18.383 15.406
14 H GLY 4 H GLY 4 -7.144 -17.516 11.198
15 HA2 GLY 4 1HA GLY 4 -5.853 -14.874 11.496
16 HA3 GLY 4 2HA GLY 4 -6.481 -15.473 9.968
17 H SER 5 H SER 5 -8.589 -15.163 9.467
18 HA SER 5 HA SER 5 -10.656 -14.213 9.539
19 HB2 SER 5 1HB SER 5 -10.528 -15.037 12.450
20 HB3 SER 5 2HB SER 5 -11.992 -14.621 11.560
21 HG SER 5 HG SER 5 -11.005 -16.420 10.085
22 H SER 6 H SER 6 -8.648 -12.375 9.657
23 HA SER 6 HA SER 6 -9.427 -10.465 11.744
24 HB2 SER 6 1HB SER 6 -7.026 -10.548 9.905
25 HB3 SER 6 2HB SER 6 -7.370 -9.220 11.015
26 HG SER 6 HG SER 6 -6.100 -11.457 11.546
27 H GLY 7 H GLY 7 -11.335 -9.652 10.904
28 HA2 GLY 7 1HA GLY 7 -12.504 -8.012 9.767
29 HA3 GLY 7 2HA GLY 7 -11.027 -7.616 8.899
30 H SER 8 H SER 8 -11.819 -7.528 6.851
31 HA SER 8 HA SER 8 -12.469 -10.071 5.615
32 HB2 SER 8 1HB SER 8 -14.570 -9.458 4.721
33 HB3 SER 8 2HB SER 8 -14.646 -8.968 6.413
34 HG SER 8 HG SER 8 -15.172 -7.103 5.593
35 H GLY 9 H GLY 9 -12.710 -9.783 3.181
36 HA2 GLY 9 1HA GLY 9 -10.425 -8.407 2.212
37 HA3 GLY 9 2HA GLY 9 -11.642 -9.207 1.229
38 H GLU 10 H GLU 10 -12.056 -7.730 -0.315
39 HA GLU 10 HA GLU 10 -12.770 -5.815 -1.318
40 HB2 GLU 10 1HB GLU 10 -14.230 -5.669 1.313
41 HB3 GLU 10 2HB GLU 10 -14.461 -4.470 0.049
42 HG2 GLU 10 1HG GLU 10 -15.492 -5.967 -1.372
43 HG3 GLU 10 2HG GLU 10 -14.785 -7.370 -0.573
44 H LYS 11 H LYS 11 -10.237 -5.601 -0.329
45 HA LYS 11 HA LYS 11 -10.159 -2.807 0.601
46 HB2 LYS 11 1HB LYS 11 -8.638 -5.191 1.559
47 HB3 LYS 11 2HB LYS 11 -7.826 -3.631 1.549
48 HG2 LYS 11 1HG LYS 11 -10.484 -4.072 2.878
49 HG3 LYS 11 2HG LYS 11 -8.942 -4.296 3.707
50 HD2 LYS 11 1HD LYS 11 -8.399 -1.913 2.924
51 HD3 LYS 11 2HD LYS 11 -10.126 -1.774 2.584
52 HE2 LYS 11 1HE LYS 11 -9.759 -0.901 4.768
53 HE3 LYS 11 2HE LYS 11 -10.554 -2.463 4.954
54 HZ1 LYS 11 3HZ LYS 11 -7.832 -1.669 5.651
55 HZ2 LYS 11 1HZ LYS 11 -8.054 -3.250 5.092
56 HZ3 LYS 11 2HZ LYS 11 -8.895 -2.710 6.456
57 HA PRO 12 HA PRO 12 -7.943 -3.296 -3.467
58 HB2 PRO 12 1HB PRO 12 -9.143 -1.170 -4.655
59 HB3 PRO 12 2HB PRO 12 -9.835 -2.797 -4.671
60 HG2 PRO 12 1HG PRO 12 -10.502 -0.472 -2.908
61 HG3 PRO 12 2HG PRO 12 -11.593 -1.618 -3.709
62 HD2 PRO 12 1HD PRO 12 -10.936 -1.819 -1.089
63 HD3 PRO 12 2HD PRO 12 -11.275 -3.238 -2.101
64 H TYR 13 H TYR 13 -8.328 -0.897 -1.054
65 HA TYR 13 HA TYR 13 -6.269 0.829 -2.205
66 HB2 TYR 13 1HB TYR 13 -7.542 1.350 0.452
67 HB3 TYR 13 2HB TYR 13 -6.975 2.496 -0.758
68 HD1 TYR 13 HD2 TYR 13 -9.672 0.057 -0.018
69 HD2 TYR 13 HD1 TYR 13 -8.458 3.410 -2.338
70 HE1 TYR 13 HE2 TYR 13 -11.973 0.306 -0.851
71 HE2 TYR 13 HE1 TYR 13 -10.755 3.669 -3.177
72 HH TYR 13 HH TYR 13 -13.191 2.921 -2.132
73 H LYS 14 H LYS 14 -5.379 -1.706 -1.488
74 HA LYS 14 HA LYS 14 -3.997 -1.362 1.070
75 HB2 LYS 14 1HB LYS 14 -4.915 -3.508 0.975
76 HB3 LYS 14 2HB LYS 14 -4.517 -3.708 -0.726
77 HG2 LYS 14 1HG LYS 14 -2.377 -4.354 -0.296
78 HG3 LYS 14 2HG LYS 14 -2.275 -3.417 1.196
79 HD2 LYS 14 1HD LYS 14 -3.469 -5.032 2.418
80 HD3 LYS 14 2HD LYS 14 -4.056 -5.825 0.954
81 HE2 LYS 14 1HE LYS 14 -1.667 -6.414 0.443
82 HE3 LYS 14 2HE LYS 14 -1.249 -5.822 2.050
83 HZ1 LYS 14 3HZ LYS 14 -2.489 -7.511 3.063
84 HZ2 LYS 14 1HZ LYS 14 -1.659 -8.291 1.811
85 HZ3 LYS 14 2HZ LYS 14 -3.298 -7.915 1.634
86 H CYS 15 H CYS 15 -1.942 -0.744 1.174
87 HA CYS 15 HA CYS 15 -0.456 -0.303 -1.267
88 HB2 CYS 15 1HB CYS 15 -0.387 1.408 0.454
89 HB3 CYS 15 2HB CYS 15 0.224 0.248 1.628
90 H SER 16 H SER 16 1.177 -1.498 -2.040
91 HA SER 16 HA SER 16 1.807 -3.987 -0.664
92 HB2 SER 16 1HB SER 16 2.251 -2.967 -3.459
93 HB3 SER 16 2HB SER 16 3.111 -4.390 -2.870
94 HG SER 16 HG SER 16 1.366 -5.441 -3.350
95 H GLU 17 H GLU 17 3.229 -0.920 -1.399
96 HA GLU 17 HA GLU 17 5.943 -1.495 -1.266
97 HB2 GLU 17 1HB GLU 17 4.513 0.962 -0.235
98 HB3 GLU 17 2HB GLU 17 6.238 0.846 -0.551
99 HG2 GLU 17 1HG GLU 17 4.076 0.525 -2.619
100 HG3 GLU 17 2HG GLU 17 5.013 1.992 -2.342
101 H CYS 18 H CYS 18 3.842 -0.416 1.410
102 HA CYS 18 HA CYS 18 5.830 -1.451 3.306
103 HB2 CYS 18 1HB CYS 18 4.608 -0.111 4.995
104 HB3 CYS 18 2HB CYS 18 5.210 0.870 3.663
105 H GLY 19 H GLY 19 2.388 -1.602 2.495
106 HA2 GLY 19 1HA GLY 19 1.296 -3.775 2.604
107 HA3 GLY 19 2HA GLY 19 2.243 -4.110 4.046
108 H LYS 20 H LYS 20 0.274 -1.304 3.086
109 HA LYS 20 HA LYS 20 -1.210 -1.619 5.611
110 HB2 LYS 20 1HB LYS 20 -0.248 0.769 4.108
111 HB3 LYS 20 2HB LYS 20 -1.758 0.911 4.999
112 HG2 LYS 20 1HG LYS 20 -0.409 -0.052 6.980
113 HG3 LYS 20 2HG LYS 20 1.003 0.420 6.032
114 HD2 LYS 20 1HD LYS 20 0.404 2.697 6.081
115 HD3 LYS 20 2HD LYS 20 -1.238 2.336 6.619
116 HE2 LYS 20 1HE LYS 20 -0.307 1.497 8.753
117 HE3 LYS 20 2HE LYS 20 1.299 1.979 8.211
118 HZ1 LYS 20 3HZ LYS 20 0.851 3.927 9.153
119 HZ2 LYS 20 1HZ LYS 20 -0.795 3.575 9.325
120 HZ3 LYS 20 2HZ LYS 20 -0.215 4.218 7.872
121 H ALA 21 H ALA 21 -3.461 -0.616 5.500
122 HA ALA 21 HA ALA 21 -4.729 -0.890 2.885
123 HB1 ALA 21 3HB ALA 21 -4.920 -3.122 3.683
124 HB2 ALA 21 1HB ALA 21 -5.443 -2.574 5.276
125 HB3 ALA 21 2HB ALA 21 -6.500 -2.364 3.879
126 H PHE 22 H PHE 22 -6.328 0.545 2.592
127 HA PHE 22 HA PHE 22 -7.398 1.920 4.968
128 HB2 PHE 22 1HB PHE 22 -6.953 3.216 2.277
129 HB3 PHE 22 2HB PHE 22 -7.392 4.005 3.789
130 HD1 PHE 22 HD1 PHE 22 -4.676 2.220 2.033
131 HD2 PHE 22 HD2 PHE 22 -5.749 4.699 5.323
132 HE1 PHE 22 HE1 PHE 22 -2.294 2.605 2.516
133 HE2 PHE 22 HE2 PHE 22 -3.369 5.088 5.810
134 HZ PHE 22 HZ PHE 22 -1.638 4.041 4.405
135 H HIS 23 H HIS 23 -9.545 2.812 4.731
136 HA HIS 23 HA HIS 23 -11.278 1.022 3.284
137 HB2 HIS 23 1HB HIS 23 -11.932 1.702 5.511
138 HB3 HIS 23 2HB HIS 23 -11.861 3.402 5.056
139 HD1 HIS 23 HD1 HIS 23 -14.234 4.131 5.224
140 HD2 HIS 23 HD2 HIS 23 -13.836 0.555 3.147
141 HE1 HIS 23 HE1 HIS 23 -16.529 3.608 4.340
142 H ARG 24 H ARG 24 -10.650 4.525 3.247
143 HA ARG 24 HA ARG 24 -12.077 4.713 0.691
144 HB2 ARG 24 1HB ARG 24 -11.130 6.878 2.578
145 HB3 ARG 24 2HB ARG 24 -11.990 7.160 1.070
146 HG2 ARG 24 1HG ARG 24 -13.958 6.108 1.909
147 HG3 ARG 24 2HG ARG 24 -13.107 5.549 3.350
148 HD2 ARG 24 1HD ARG 24 -12.691 7.984 3.888
149 HD3 ARG 24 2HD ARG 24 -13.830 8.372 2.600
150 HE ARG 24 HE ARG 24 -14.458 7.434 5.224
151 HH11 ARG 24 1HH1 ARG 24 -15.516 7.441 1.907
152 HH12 ARG 24 2HH1 ARG 24 -17.186 7.205 2.303
153 HH21 ARG 24 1HH2 ARG 24 -16.654 7.124 5.757
154 HH22 ARG 24 2HH2 ARG 24 -17.833 7.026 4.493
155 H HIS 25 H HIS 25 -11.124 6.109 -0.992
156 HA HIS 25 HA HIS 25 -8.430 5.325 -1.525
157 HB2 HIS 25 1HB HIS 25 -10.232 5.622 -3.262
158 HB3 HIS 25 2HB HIS 25 -10.076 7.361 -3.034
159 HD1 HIS 25 HD1 HIS 25 -9.524 6.654 -5.777
160 HD2 HIS 25 HD2 HIS 25 -6.575 6.259 -2.878
161 HE1 HIS 25 HE1 HIS 25 -7.345 6.653 -7.032
162 H THR 26 H THR 26 -10.004 8.426 -0.811
163 HA THR 26 HA THR 26 -7.972 10.203 -1.088
164 HB THR 26 HB THR 26 -9.825 10.162 1.301
165 HG1 THR 26 HG1 THR 26 -10.226 10.746 -1.403
166 HG21 THR 26 3HG2 THR 26 -8.460 11.914 1.804
167 HG22 THR 26 1HG2 THR 26 -9.544 12.749 0.693
168 HG23 THR 26 2HG2 THR 26 -7.979 12.164 0.126
169 H HIS 27 H HIS 27 -8.510 8.112 1.734
170 HA HIS 27 HA HIS 27 -6.366 9.036 3.283
171 HB2 HIS 27 1HB HIS 27 -7.975 6.518 3.215
172 HB3 HIS 27 2HB HIS 27 -6.517 6.565 4.200
173 HD1 HIS 27 HD1 HIS 27 -8.069 6.325 6.309
174 HD2 HIS 27 HD2 HIS 27 -8.578 9.831 4.139
175 HE1 HIS 27 HE1 HIS 27 -9.372 7.863 7.812
176 H LEU 28 H LEU 28 -6.528 6.136 1.211
177 HA LEU 28 HA LEU 28 -3.911 5.296 1.467
178 HB2 LEU 28 1HB LEU 28 -5.539 3.941 0.351
179 HB3 LEU 28 2HB LEU 28 -5.759 5.156 -0.907
180 HG LEU 28 HG LEU 28 -3.320 4.714 -1.521
181 HD11 LEU 28 1HD1 LEU 28 -3.728 2.074 -0.179
182 HD12 LEU 28 2HD1 LEU 28 -3.016 3.424 0.704
183 HD13 LEU 28 3HD1 LEU 28 -2.238 2.819 -0.758
184 HD21 LEU 28 3HD2 LEU 28 -5.736 3.434 -2.236
185 HD22 LEU 28 1HD2 LEU 28 -4.476 2.200 -2.199
186 HD23 LEU 28 2HD2 LEU 28 -4.275 3.634 -3.206
187 H ASN 29 H ASN 29 -5.216 7.399 -1.103
188 HA ASN 29 HA ASN 29 -2.956 7.945 -2.520
189 HB2 ASN 29 1HB ASN 29 -5.398 8.862 -2.750
190 HB3 ASN 29 2HB ASN 29 -4.777 10.222 -1.818
191 HD21 ASN 29 1HD2 ASN 29 -4.665 11.801 -3.275
192 HD22 ASN 29 2HD2 ASN 29 -3.781 11.725 -4.757
193 H GLU 30 H GLU 30 -4.008 9.608 0.440
194 HA GLU 30 HA GLU 30 -1.884 11.431 0.588
195 HB2 GLU 30 1HB GLU 30 -3.701 10.247 2.676
196 HB3 GLU 30 2HB GLU 30 -2.448 11.408 3.093
197 HG2 GLU 30 1HG GLU 30 -4.452 12.026 0.963
198 HG3 GLU 30 2HG GLU 30 -4.845 12.244 2.668
199 H HIS 31 H HIS 31 -2.303 8.326 2.292
200 HA HIS 31 HA HIS 31 0.087 8.213 3.640
201 HB2 HIS 31 1HB HIS 31 -1.293 6.452 4.180
202 HB3 HIS 31 2HB HIS 31 -1.736 6.144 2.503
203 HD1 HIS 31 HD1 HIS 31 0.777 5.260 5.101
204 HD2 HIS 31 HD2 HIS 31 0.039 4.468 1.089
205 HE1 HIS 31 HE1 HIS 31 2.280 3.333 4.508
206 H ARG 32 H ARG 32 -0.540 6.985 0.354
207 HA ARG 32 HA ARG 32 1.822 5.919 -0.367
208 HB2 ARG 32 1HB ARG 32 0.131 7.824 -1.991
209 HB3 ARG 32 2HB ARG 32 1.440 6.863 -2.665
210 HG2 ARG 32 1HG ARG 32 0.279 4.816 -2.021
211 HG3 ARG 32 2HG ARG 32 -1.031 5.776 -1.331
212 HD2 ARG 32 1HD ARG 32 -1.866 5.254 -3.420
213 HD3 ARG 32 2HD ARG 32 -1.146 6.840 -3.698
214 HE ARG 32 HE ARG 32 0.419 5.862 -5.066
215 HH11 ARG 32 1HH1 ARG 32 -1.273 3.398 -3.280
216 HH12 ARG 32 2HH1 ARG 32 -0.599 2.090 -4.194
217 HH21 ARG 32 1HH2 ARG 32 1.312 4.148 -6.276
218 HH22 ARG 32 2HH2 ARG 32 0.872 2.517 -5.897
219 H ARG 33 H ARG 33 1.259 9.254 0.379
220 HA ARG 33 HA ARG 33 3.319 10.564 -0.879
221 HB2 ARG 33 1HB ARG 33 2.137 10.943 1.866
222 HB3 ARG 33 2HB ARG 33 3.370 12.021 1.226
223 HG2 ARG 33 1HG ARG 33 1.964 12.824 -0.457
224 HG3 ARG 33 2HG ARG 33 0.836 11.479 -0.276
225 HD2 ARG 33 1HD ARG 33 -0.157 12.380 1.579
226 HD3 ARG 33 2HD ARG 33 1.297 13.252 2.065
227 HE ARG 33 HE ARG 33 -0.802 14.208 0.365
228 HH11 ARG 33 1HH1 ARG 33 2.582 14.490 1.133
229 HH12 ARG 33 2HH1 ARG 33 2.717 16.110 0.533
230 HH21 ARG 33 1HH2 ARG 33 -0.637 16.340 -0.429
231 HH22 ARG 33 2HH2 ARG 33 0.885 17.161 -0.354
232 H ILE 34 H ILE 34 3.471 8.885 2.257
233 HA ILE 34 HA ILE 34 6.102 9.364 2.915
234 HB ILE 34 HB ILE 34 6.057 7.369 4.266
235 HG12 ILE 34 1HG1 ILE 34 3.414 6.513 3.173
236 HG13 ILE 34 2HG1 ILE 34 4.865 6.097 2.267
237 HG21 ILE 34 1HG2 ILE 34 4.760 8.556 5.622
238 HG22 ILE 34 2HG2 ILE 34 3.964 9.329 4.252
239 HG23 ILE 34 3HG2 ILE 34 3.353 7.798 4.878
240 HD11 ILE 34 3HD1 ILE 34 5.612 5.305 4.718
241 HD12 ILE 34 1HD1 ILE 34 3.869 5.062 4.832
242 HD13 ILE 34 2HD1 ILE 34 4.789 4.261 3.558
243 H HIS 35 H HIS 35 4.886 7.518 0.310
244 HA HIS 35 HA HIS 35 7.434 6.118 -0.060
245 HB2 HIS 35 1HB HIS 35 4.784 5.803 -1.483
246 HB3 HIS 35 2HB HIS 35 6.231 4.863 -1.834
247 HD1 HIS 35 HD1 HIS 35 7.193 3.768 0.663
248 HD2 HIS 35 HD2 HIS 35 3.124 4.343 0.050
249 HE1 HIS 35 HE1 HIS 35 6.044 2.234 2.291
250 H THR 36 H THR 36 5.376 8.567 -1.475
251 HA THR 36 HA THR 36 7.224 8.886 -3.729
252 HB THR 36 HB THR 36 5.527 10.406 -4.675
253 HG1 THR 36 HG1 THR 36 3.681 9.613 -2.714
254 HG21 THR 36 3HG2 THR 36 4.295 7.793 -3.802
255 HG22 THR 36 1HG2 THR 36 5.467 7.950 -5.110
256 HG23 THR 36 2HG2 THR 36 3.892 8.734 -5.238
257 H GLY 37 H GLY 37 8.963 9.976 -2.894
258 HA2 GLY 37 1HA GLY 37 8.924 12.736 -2.742
259 HA3 GLY 37 2HA GLY 37 8.727 12.169 -1.090
260 H TYR 38 H TYR 38 10.574 12.212 -0.014
261 HA TYR 38 HA TYR 38 12.951 11.018 -1.179
262 HB2 TYR 38 1HB TYR 38 12.926 13.508 -1.752
263 HB3 TYR 38 2HB TYR 38 13.144 13.800 -0.030
264 HD1 TYR 38 HD2 TYR 38 15.102 12.085 0.941
265 HD2 TYR 38 HD1 TYR 38 14.860 13.741 -2.971
266 HE1 TYR 38 HE2 TYR 38 17.533 11.816 0.682
267 HE2 TYR 38 HE1 TYR 38 17.290 13.474 -3.241
268 HH TYR 38 HH TYR 38 19.368 12.887 -0.700
269 H ARG 39 H ARG 39 13.910 9.795 0.299
270 HA ARG 39 HA ARG 39 13.899 10.607 3.102
271 HB2 ARG 39 1HB ARG 39 12.802 7.980 2.093
272 HB3 ARG 39 2HB ARG 39 13.239 8.269 3.772
273 HG2 ARG 39 1HG ARG 39 11.234 9.945 2.289
274 HG3 ARG 39 2HG ARG 39 10.802 8.507 3.216
275 HD2 ARG 39 1HD ARG 39 11.357 9.484 5.238
276 HD3 ARG 39 2HD ARG 39 12.429 10.666 4.487
277 HE ARG 39 HE ARG 39 10.615 12.034 4.092
278 HH11 ARG 39 1HH1 ARG 39 9.544 8.911 5.197
279 HH12 ARG 39 2HH1 ARG 39 7.907 9.418 5.453
280 HH21 ARG 39 1HH2 ARG 39 8.463 12.713 4.424
281 HH22 ARG 39 2HH2 ARG 39 7.293 11.581 5.012
282 HA PRO 40 HA PRO 40 18.006 9.054 3.056
283 HB2 PRO 40 1HB PRO 40 18.311 8.349 5.660
284 HB3 PRO 40 2HB PRO 40 18.262 10.031 5.120
285 HG2 PRO 40 1HG PRO 40 16.086 8.365 6.325
286 HG3 PRO 40 2HG PRO 40 16.523 10.051 6.663
287 HD2 PRO 40 1HD PRO 40 14.446 9.376 5.062
288 HD3 PRO 40 2HD PRO 40 15.413 10.842 4.804
289 H SER 41 H SER 41 15.341 7.056 3.796
290 HA SER 41 HA SER 41 16.277 4.664 4.629
291 HB2 SER 41 1HB SER 41 13.921 5.107 3.986
292 HB3 SER 41 2HB SER 41 14.387 5.010 2.288
293 HG SER 41 HG SER 41 15.299 2.830 3.171
294 H GLY 42 H GLY 42 16.005 5.337 1.133
295 HA2 GLY 42 1HA GLY 42 18.636 4.700 0.449
296 HA3 GLY 42 2HA GLY 42 17.706 3.210 0.383
297 HA PRO 43 HA PRO 43 17.213 5.989 -3.492
298 HB2 PRO 43 1HB PRO 43 19.077 4.862 -5.113
299 HB3 PRO 43 2HB PRO 43 19.422 6.248 -4.071
300 HG2 PRO 43 1HG PRO 43 20.014 3.348 -3.624
301 HG3 PRO 43 2HG PRO 43 21.042 4.760 -3.316
302 HD2 PRO 43 1HD PRO 43 19.668 3.502 -1.351
303 HD3 PRO 43 2HD PRO 43 19.991 5.247 -1.323
304 H SER 44 H SER 44 15.236 4.764 -3.476
305 HA SER 44 HA SER 44 15.150 2.796 -5.581
306 HB2 SER 44 1HB SER 44 15.595 1.211 -3.896
307 HB3 SER 44 2HB SER 44 14.594 2.056 -2.715
308 HG SER 44 HG SER 44 13.718 0.077 -3.789
309 H SER 45 H SER 45 13.454 3.323 -6.771
310 HA SER 45 HA SER 45 11.145 4.591 -5.452
311 HB2 SER 45 1HB SER 45 12.586 5.812 -7.283
312 HB3 SER 45 2HB SER 45 11.636 4.830 -8.398
313 HG SER 45 HG SER 45 10.521 6.714 -8.102
314 H GLY 46 H GLY 46 9.156 3.724 -5.682
315 HA2 GLY 46 1HA GLY 46 8.960 1.297 -7.355
316 HA3 GLY 46 2HA GLY 46 8.079 1.537 -5.853
Start of MODEL 3
1 H1 GLY 1 H GLY 1 0.500 -23.722 10.161
2 HA2 GLY 1 1HA GLY 1 -1.542 -22.985 12.071
3 HA3 GLY 1 2HA GLY 1 -0.603 -21.628 11.469
4 H SER 2 H SER 2 -3.140 -23.830 10.830
5 HA SER 2 HA SER 2 -3.526 -22.599 8.181
6 HB2 SER 2 1HB SER 2 -4.541 -24.713 7.416
7 HB3 SER 2 2HB SER 2 -2.866 -24.946 7.915
8 HG SER 2 HG SER 2 -4.308 -26.558 8.737
9 H SER 3 H SER 3 -5.322 -21.443 8.048
10 HA SER 3 HA SER 3 -7.832 -22.317 9.042
11 HB2 SER 3 1HB SER 3 -6.797 -21.584 11.180
12 HB3 SER 3 2HB SER 3 -6.594 -19.969 10.500
13 HG SER 3 HG SER 3 -8.490 -19.938 11.625
14 H GLY 4 H GLY 4 -9.377 -21.435 7.817
15 HA2 GLY 4 1HA GLY 4 -8.625 -19.224 6.054
16 HA3 GLY 4 2HA GLY 4 -10.011 -20.287 5.853
17 H SER 5 H SER 5 -10.238 -17.545 5.568
18 HA SER 5 HA SER 5 -11.537 -15.789 6.203
19 HB2 SER 5 1HB SER 5 -12.795 -17.700 8.181
20 HB3 SER 5 2HB SER 5 -13.512 -16.238 7.504
21 HG SER 5 HG SER 5 -12.972 -17.536 5.409
22 H SER 6 H SER 6 -9.086 -15.692 7.272
23 HA SER 6 HA SER 6 -9.375 -15.168 10.137
24 HB2 SER 6 1HB SER 6 -6.777 -14.700 9.734
25 HB3 SER 6 2HB SER 6 -7.408 -16.334 9.943
26 HG SER 6 HG SER 6 -7.069 -15.077 7.423
27 H GLY 7 H GLY 7 -10.188 -13.488 7.615
28 HA2 GLY 7 1HA GLY 7 -8.939 -10.975 8.542
29 HA3 GLY 7 2HA GLY 7 -9.454 -11.258 6.886
30 H SER 8 H SER 8 -10.194 -9.217 8.987
31 HA SER 8 HA SER 8 -12.991 -9.751 9.497
32 HB2 SER 8 1HB SER 8 -12.821 -7.255 10.306
33 HB3 SER 8 2HB SER 8 -12.081 -8.543 11.257
34 HG SER 8 HG SER 8 -10.623 -7.177 9.266
35 H GLY 9 H GLY 9 -11.462 -9.008 6.774
36 HA2 GLY 9 1HA GLY 9 -13.178 -8.526 4.960
37 HA3 GLY 9 2HA GLY 9 -13.488 -7.059 5.876
38 H GLU 10 H GLU 10 -11.621 -8.502 3.448
39 HA GLU 10 HA GLU 10 -9.309 -6.868 3.568
40 HB2 GLU 10 1HB GLU 10 -8.934 -7.605 1.236
41 HB3 GLU 10 2HB GLU 10 -9.283 -8.943 2.321
42 HG2 GLU 10 1HG GLU 10 -10.483 -9.364 0.344
43 HG3 GLU 10 2HG GLU 10 -11.666 -8.821 1.532
44 H LYS 11 H LYS 11 -8.721 -5.315 1.794
45 HA LYS 11 HA LYS 11 -11.030 -3.692 0.963
46 HB2 LYS 11 1HB LYS 11 -8.424 -2.567 2.001
47 HB3 LYS 11 2HB LYS 11 -9.852 -1.656 1.529
48 HG2 LYS 11 1HG LYS 11 -10.098 -3.686 3.691
49 HG3 LYS 11 2HG LYS 11 -9.326 -2.139 4.048
50 HD2 LYS 11 1HD LYS 11 -11.467 -1.199 2.805
51 HD3 LYS 11 2HD LYS 11 -12.150 -2.740 3.329
52 HE2 LYS 11 1HE LYS 11 -10.693 -0.947 5.242
53 HE3 LYS 11 2HE LYS 11 -12.399 -0.698 4.876
54 HZ1 LYS 11 3HZ LYS 11 -12.011 -2.083 6.861
55 HZ2 LYS 11 1HZ LYS 11 -11.259 -3.245 5.889
56 HZ3 LYS 11 2HZ LYS 11 -12.897 -2.888 5.665
57 HA PRO 12 HA PRO 12 -9.179 -3.816 -3.029
58 HB2 PRO 12 1HB PRO 12 -10.346 -1.619 -4.117
59 HB3 PRO 12 2HB PRO 12 -11.219 -3.129 -3.832
60 HG2 PRO 12 1HG PRO 12 -11.174 -0.629 -2.186
61 HG3 PRO 12 2HG PRO 12 -12.551 -1.657 -2.622
62 HD2 PRO 12 1HD PRO 12 -11.344 -1.787 -0.201
63 HD3 PRO 12 2HD PRO 12 -12.077 -3.204 -0.980
64 H TYR 13 H TYR 13 -8.751 -1.187 -0.852
65 HA TYR 13 HA TYR 13 -6.646 -0.031 -2.547
66 HB2 TYR 13 1HB TYR 13 -7.882 1.174 -0.066
67 HB3 TYR 13 2HB TYR 13 -6.825 1.975 -1.223
68 HD1 TYR 13 HD1 TYR 13 -7.767 1.824 -3.749
69 HD2 TYR 13 HD2 TYR 13 -10.125 1.663 -0.212
70 HE1 TYR 13 HE1 TYR 13 -9.729 2.572 -5.030
71 HE2 TYR 13 HE2 TYR 13 -12.094 2.410 -1.483
72 HH TYR 13 HH TYR 13 -12.184 3.913 -4.019
73 H LYS 14 H LYS 14 -4.904 -1.321 -2.138
74 HA LYS 14 HA LYS 14 -3.961 -1.388 0.653
75 HB2 LYS 14 1HB LYS 14 -4.710 -3.615 -0.344
76 HB3 LYS 14 2HB LYS 14 -3.317 -3.490 -1.410
77 HG2 LYS 14 1HG LYS 14 -2.883 -3.209 1.516
78 HG3 LYS 14 2HG LYS 14 -3.203 -4.815 0.858
79 HD2 LYS 14 1HD LYS 14 -1.366 -4.213 -0.863
80 HD3 LYS 14 2HD LYS 14 -0.915 -2.961 0.297
81 HE2 LYS 14 1HE LYS 14 0.429 -4.868 0.761
82 HE3 LYS 14 2HE LYS 14 -0.781 -4.760 2.040
83 HZ1 LYS 14 3HZ LYS 14 -0.374 -6.817 0.070
84 HZ2 LYS 14 1HZ LYS 14 -1.988 -6.327 0.201
85 HZ3 LYS 14 2HZ LYS 14 -1.162 -6.892 1.565
86 H CYS 15 H CYS 15 -2.111 -0.354 0.977
87 HA CYS 15 HA CYS 15 -0.672 0.911 -1.078
88 HB2 CYS 15 1HB CYS 15 -0.686 1.708 1.252
89 HB3 CYS 15 2HB CYS 15 0.221 0.281 1.744
90 H SER 16 H SER 16 0.456 -0.104 -2.596
91 HA SER 16 HA SER 16 1.704 -2.666 -2.071
92 HB2 SER 16 1HB SER 16 0.493 -2.097 -4.223
93 HB3 SER 16 2HB SER 16 1.851 -1.043 -4.617
94 HG SER 16 HG SER 16 1.751 -3.840 -4.440
95 H GLU 17 H GLU 17 2.805 -0.612 -0.529
96 HA GLU 17 HA GLU 17 5.534 -0.543 -1.617
97 HB2 GLU 17 1HB GLU 17 4.033 1.741 -0.338
98 HB3 GLU 17 2HB GLU 17 5.781 1.726 -0.522
99 HG2 GLU 17 1HG GLU 17 4.115 1.240 -2.929
100 HG3 GLU 17 2HG GLU 17 4.208 2.880 -2.288
101 H CYS 18 H CYS 18 3.450 -0.345 1.227
102 HA CYS 18 HA CYS 18 5.675 -1.417 2.835
103 HB2 CYS 18 1HB CYS 18 4.841 -0.195 4.760
104 HB3 CYS 18 2HB CYS 18 5.140 0.927 3.437
105 H GLY 19 H GLY 19 2.202 -1.372 2.245
106 HA2 GLY 19 1HA GLY 19 1.016 -3.488 2.253
107 HA3 GLY 19 2HA GLY 19 2.038 -3.992 3.592
108 H LYS 20 H LYS 20 -0.085 -1.214 2.876
109 HA LYS 20 HA LYS 20 -1.432 -1.716 5.446
110 HB2 LYS 20 1HB LYS 20 0.228 0.330 5.228
111 HB3 LYS 20 2HB LYS 20 -1.148 1.079 4.429
112 HG2 LYS 20 1HG LYS 20 -2.510 0.794 6.383
113 HG3 LYS 20 2HG LYS 20 -1.239 -0.133 7.183
114 HD2 LYS 20 1HD LYS 20 0.191 2.010 6.774
115 HD3 LYS 20 2HD LYS 20 -1.379 2.799 6.612
116 HE2 LYS 20 1HE LYS 20 -0.656 1.078 8.971
117 HE3 LYS 20 2HE LYS 20 -0.332 2.810 8.923
118 HZ1 LYS 20 3HZ LYS 20 -2.736 1.497 9.549
119 HZ2 LYS 20 1HZ LYS 20 -2.983 2.432 8.160
120 HZ3 LYS 20 2HZ LYS 20 -2.404 3.156 9.574
121 H ALA 21 H ALA 21 -3.580 -1.857 5.322
122 HA ALA 21 HA ALA 21 -4.864 -1.157 2.779
123 HB1 ALA 21 3HB ALA 21 -5.039 -3.493 3.689
124 HB2 ALA 21 1HB ALA 21 -6.025 -2.832 4.994
125 HB3 ALA 21 2HB ALA 21 -6.576 -2.710 3.323
126 H PHE 22 H PHE 22 -6.482 0.309 2.638
127 HA PHE 22 HA PHE 22 -7.328 1.624 5.136
128 HB2 PHE 22 1HB PHE 22 -6.764 2.862 2.437
129 HB3 PHE 22 2HB PHE 22 -7.555 3.715 3.759
130 HD1 PHE 22 HD2 PHE 22 -6.306 4.207 5.832
131 HD2 PHE 22 HD1 PHE 22 -4.418 2.525 2.408
132 HE1 PHE 22 HE2 PHE 22 -4.109 4.848 6.734
133 HE2 PHE 22 HE1 PHE 22 -2.217 3.163 3.305
134 HZ PHE 22 HZ PHE 22 -2.061 4.327 5.469
135 H HIS 23 H HIS 23 -9.379 3.044 4.616
136 HA HIS 23 HA HIS 23 -11.307 1.224 3.351
137 HB2 HIS 23 1HB HIS 23 -13.007 2.530 4.669
138 HB3 HIS 23 2HB HIS 23 -11.845 1.639 5.648
139 HD1 HIS 23 HD1 HIS 23 -10.039 3.056 6.913
140 HD2 HIS 23 HD2 HIS 23 -12.963 5.282 4.975
141 HE1 HIS 23 HE1 HIS 23 -9.843 5.382 7.848
142 H ARG 24 H ARG 24 -10.165 4.545 3.381
143 HA ARG 24 HA ARG 24 -11.906 5.122 1.075
144 HB2 ARG 24 1HB ARG 24 -10.906 6.807 3.326
145 HB3 ARG 24 2HB ARG 24 -11.166 7.572 1.764
146 HG2 ARG 24 1HG ARG 24 -13.341 5.882 2.876
147 HG3 ARG 24 2HG ARG 24 -13.059 7.471 3.590
148 HD2 ARG 24 1HD ARG 24 -13.357 8.538 1.452
149 HD3 ARG 24 2HD ARG 24 -13.469 6.975 0.645
150 HE ARG 24 HE ARG 24 -15.565 8.359 1.989
151 HH11 ARG 24 1HH1 ARG 24 -14.340 5.187 1.242
152 HH12 ARG 24 2HH1 ARG 24 -15.891 4.422 1.343
153 HH21 ARG 24 1HH2 ARG 24 -17.612 7.363 2.125
154 HH22 ARG 24 2HH2 ARG 24 -17.752 5.660 1.845
155 H HIS 25 H HIS 25 -10.937 5.256 -0.830
156 HA HIS 25 HA HIS 25 -8.336 4.798 -1.422
157 HB2 HIS 25 1HB HIS 25 -10.333 5.135 -3.011
158 HB3 HIS 25 2HB HIS 25 -9.890 6.840 -3.000
159 HD1 HIS 25 HD1 HIS 25 -9.760 5.001 -5.544
160 HD2 HIS 25 HD2 HIS 25 -6.544 5.972 -3.099
161 HE1 HIS 25 HE1 HIS 25 -7.714 4.708 -6.976
162 H THR 26 H THR 26 -9.709 8.090 -1.263
163 HA THR 26 HA THR 26 -7.571 9.660 -1.629
164 HB THR 26 HB THR 26 -9.448 10.078 0.703
165 HG1 THR 26 HG1 THR 26 -9.818 11.086 -1.920
166 HG21 THR 26 3HG2 THR 26 -8.654 12.175 0.855
167 HG22 THR 26 1HG2 THR 26 -8.567 12.368 -0.895
168 HG23 THR 26 2HG2 THR 26 -7.262 11.554 -0.032
169 H HIS 27 H HIS 27 -8.359 8.215 1.535
170 HA HIS 27 HA HIS 27 -6.216 9.139 2.996
171 HB2 HIS 27 1HB HIS 27 -7.728 6.536 3.144
172 HB3 HIS 27 2HB HIS 27 -6.467 6.949 4.302
173 HD1 HIS 27 HD1 HIS 27 -7.680 7.518 6.387
174 HD2 HIS 27 HD2 HIS 27 -9.432 9.257 3.045
175 HE1 HIS 27 HE1 HIS 27 -9.520 8.981 7.278
176 H LEU 28 H LEU 28 -6.366 6.265 0.925
177 HA LEU 28 HA LEU 28 -3.779 5.309 1.480
178 HB2 LEU 28 1HB LEU 28 -5.326 3.847 0.446
179 HB3 LEU 28 2HB LEU 28 -5.611 4.972 -0.880
180 HG LEU 28 HG LEU 28 -3.082 4.543 -1.398
181 HD11 LEU 28 1HD1 LEU 28 -2.417 2.237 -0.851
182 HD12 LEU 28 2HD1 LEU 28 -3.839 2.089 0.180
183 HD13 LEU 28 3HD1 LEU 28 -2.577 3.252 0.582
184 HD21 LEU 28 3HD2 LEU 28 -3.753 3.141 -3.078
185 HD22 LEU 28 1HD2 LEU 28 -5.309 3.816 -2.594
186 HD23 LEU 28 2HD2 LEU 28 -4.828 2.216 -2.030
187 H ASN 29 H ASN 29 -4.920 7.064 -1.414
188 HA ASN 29 HA ASN 29 -2.543 7.477 -2.688
189 HB2 ASN 29 1HB ASN 29 -4.698 8.178 -3.618
190 HB3 ASN 29 2HB ASN 29 -4.809 9.467 -2.422
191 HD21 ASN 29 1HD2 ASN 29 -5.085 10.577 -4.606
192 HD22 ASN 29 2HD2 ASN 29 -3.647 11.228 -5.308
193 H GLU 30 H GLU 30 -3.828 9.276 0.060
194 HA GLU 30 HA GLU 30 -1.687 11.189 0.073
195 HB2 GLU 30 1HB GLU 30 -3.688 12.007 0.980
196 HB3 GLU 30 2HB GLU 30 -3.956 10.555 1.935
197 HG2 GLU 30 1HG GLU 30 -2.495 11.198 3.583
198 HG3 GLU 30 2HG GLU 30 -1.575 12.249 2.507
199 H HIS 31 H HIS 31 -2.363 8.129 1.618
200 HA HIS 31 HA HIS 31 -0.442 8.255 3.672
201 HB2 HIS 31 1HB HIS 31 -2.024 6.545 3.905
202 HB3 HIS 31 2HB HIS 31 -1.815 5.996 2.245
203 HD1 HIS 31 HD1 HIS 31 -0.036 5.932 5.581
204 HD2 HIS 31 HD2 HIS 31 0.015 3.985 1.910
205 HE1 HIS 31 HE1 HIS 31 1.525 3.983 5.875
206 H ARG 32 H ARG 32 -0.247 7.194 0.311
207 HA ARG 32 HA ARG 32 2.340 6.097 0.415
208 HB2 ARG 32 1HB ARG 32 0.857 7.369 -1.892
209 HB3 ARG 32 2HB ARG 32 2.347 6.449 -2.051
210 HG2 ARG 32 1HG ARG 32 1.300 4.440 -1.435
211 HG3 ARG 32 2HG ARG 32 -0.122 5.279 -0.812
212 HD2 ARG 32 1HD ARG 32 -0.861 4.471 -2.855
213 HD3 ARG 32 2HD ARG 32 -0.391 6.127 -3.239
214 HE ARG 32 HE ARG 32 1.272 5.307 -4.582
215 HH11 ARG 32 1HH1 ARG 32 0.100 2.756 -2.525
216 HH12 ARG 32 2HH1 ARG 32 0.997 1.514 -3.334
217 HH21 ARG 32 1HH2 ARG 32 2.458 3.681 -5.656
218 HH22 ARG 32 2HH2 ARG 32 2.338 2.041 -5.114
219 H ARG 33 H ARG 33 1.288 9.309 0.658
220 HA ARG 33 HA ARG 33 3.135 10.868 -0.593
221 HB2 ARG 33 1HB ARG 33 1.871 11.135 2.124
222 HB3 ARG 33 2HB ARG 33 2.973 12.359 1.507
223 HG2 ARG 33 1HG ARG 33 0.433 11.472 0.155
224 HG3 ARG 33 2HG ARG 33 0.619 12.932 1.129
225 HD2 ARG 33 1HD ARG 33 2.012 12.276 -1.463
226 HD3 ARG 33 2HD ARG 33 0.788 13.516 -1.197
227 HE ARG 33 HE ARG 33 3.597 13.662 -0.521
228 HH11 ARG 33 1HH1 ARG 33 0.413 14.991 -0.058
229 HH12 ARG 33 2HH1 ARG 33 0.993 16.533 0.477
230 HH21 ARG 33 1HH2 ARG 33 4.373 15.688 0.182
231 HH22 ARG 33 2HH2 ARG 33 3.245 16.929 0.612
232 H ILE 34 H ILE 34 3.629 8.858 2.230
233 HA ILE 34 HA ILE 34 6.219 9.917 2.855
234 HB ILE 34 HB ILE 34 6.343 8.341 4.566
235 HG12 ILE 34 1HG1 ILE 34 4.416 6.666 2.949
236 HG13 ILE 34 2HG1 ILE 34 6.104 6.310 3.296
237 HG21 ILE 34 1HG2 ILE 34 3.868 9.663 4.121
238 HG22 ILE 34 2HG2 ILE 34 3.537 8.107 4.882
239 HG23 ILE 34 3HG2 ILE 34 4.637 9.250 5.653
240 HD11 ILE 34 3HD1 ILE 34 3.754 5.671 4.807
241 HD12 ILE 34 1HD1 ILE 34 5.414 5.114 5.021
242 HD13 ILE 34 2HD1 ILE 34 4.880 6.612 5.785
243 H HIS 35 H HIS 35 4.973 7.327 0.871
244 HA HIS 35 HA HIS 35 7.608 6.187 0.436
245 HB2 HIS 35 1HB HIS 35 4.997 5.480 -0.915
246 HB3 HIS 35 2HB HIS 35 6.477 4.525 -0.912
247 HD1 HIS 35 HD1 HIS 35 7.066 4.753 2.160
248 HD2 HIS 35 HD2 HIS 35 3.406 3.733 0.479
249 HE1 HIS 35 HE1 HIS 35 5.845 3.462 3.939
250 H THR 36 H THR 36 5.932 8.785 -0.745
251 HA THR 36 HA THR 36 7.409 8.695 -3.294
252 HB THR 36 HB THR 36 4.998 8.467 -3.711
253 HG1 THR 36 HG1 THR 36 6.338 9.690 -5.176
254 HG21 THR 36 3HG2 THR 36 3.808 10.843 -3.264
255 HG22 THR 36 1HG2 THR 36 4.890 10.779 -1.874
256 HG23 THR 36 2HG2 THR 36 3.720 9.486 -2.141
257 H GLY 37 H GLY 37 8.020 10.798 -4.161
258 HA2 GLY 37 1HA GLY 37 8.873 12.927 -3.991
259 HA3 GLY 37 2HA GLY 37 7.800 13.175 -2.622
260 H TYR 38 H TYR 38 10.673 11.176 -3.321
261 HA TYR 38 HA TYR 38 11.613 11.352 -0.634
262 HB2 TYR 38 1HB TYR 38 13.674 10.274 -1.572
263 HB3 TYR 38 2HB TYR 38 12.183 9.404 -1.916
264 HD1 TYR 38 HD1 TYR 38 14.497 11.909 -3.430
265 HD2 TYR 38 HD2 TYR 38 11.724 8.752 -4.096
266 HE1 TYR 38 HE1 TYR 38 15.036 11.950 -5.829
267 HE2 TYR 38 HE2 TYR 38 12.256 8.784 -6.497
268 HH TYR 38 HH TYR 38 13.893 9.503 -8.011
269 H ARG 39 H ARG 39 13.787 12.193 -0.071
270 HA ARG 39 HA ARG 39 14.056 14.905 -1.064
271 HB2 ARG 39 1HB ARG 39 15.500 13.442 1.153
272 HB3 ARG 39 2HB ARG 39 15.706 15.147 0.773
273 HG2 ARG 39 1HG ARG 39 13.022 14.001 1.457
274 HG3 ARG 39 2HG ARG 39 14.155 14.535 2.700
275 HD2 ARG 39 1HD ARG 39 14.075 16.760 1.978
276 HD3 ARG 39 2HD ARG 39 13.386 16.320 0.416
277 HE ARG 39 HE ARG 39 11.699 15.679 2.656
278 HH11 ARG 39 1HH1 ARG 39 12.621 18.133 0.365
279 HH12 ARG 39 2HH1 ARG 39 11.127 19.001 0.497
280 HH21 ARG 39 1HH2 ARG 39 9.729 16.813 2.838
281 HH22 ARG 39 2HH2 ARG 39 9.483 18.250 1.905
282 HA PRO 40 HA PRO 40 17.401 14.102 -3.808
283 HB2 PRO 40 1HB PRO 40 18.534 16.569 -3.845
284 HB3 PRO 40 2HB PRO 40 17.009 16.201 -4.659
285 HG2 PRO 40 1HG PRO 40 17.472 17.506 -2.005
286 HG3 PRO 40 2HG PRO 40 16.322 17.944 -3.282
287 HD2 PRO 40 1HD PRO 40 15.589 16.559 -1.074
288 HD3 PRO 40 2HD PRO 40 14.811 16.322 -2.652
289 H SER 41 H SER 41 17.805 14.883 -0.534
290 HA SER 41 HA SER 41 20.661 14.179 -0.686
291 HB2 SER 41 1HB SER 41 19.439 16.067 1.338
292 HB3 SER 41 2HB SER 41 21.150 15.684 1.140
293 HG SER 41 HG SER 41 20.619 17.662 0.142
294 H GLY 42 H GLY 42 21.035 12.286 0.244
295 HA2 GLY 42 1HA GLY 42 20.499 11.574 2.840
296 HA3 GLY 42 2HA GLY 42 19.100 11.019 1.932
297 HA PRO 43 HA PRO 43 22.253 7.632 1.897
298 HB2 PRO 43 1HB PRO 43 20.471 5.656 2.437
299 HB3 PRO 43 2HB PRO 43 21.262 6.608 3.699
300 HG2 PRO 43 1HG PRO 43 18.522 6.914 2.533
301 HG3 PRO 43 2HG PRO 43 19.033 7.005 4.229
302 HD2 PRO 43 1HD PRO 43 18.562 9.209 2.727
303 HD3 PRO 43 2HD PRO 43 19.783 9.174 4.016
304 H SER 44 H SER 44 22.784 6.751 0.004
305 HA SER 44 HA SER 44 20.658 6.320 -1.987
306 HB2 SER 44 1HB SER 44 22.627 7.981 -2.398
307 HB3 SER 44 2HB SER 44 23.571 6.521 -2.694
308 HG SER 44 HG SER 44 21.732 7.742 -4.277
309 H SER 45 H SER 45 20.091 4.255 -2.116
310 HA SER 45 HA SER 45 22.180 2.232 -2.390
311 HB2 SER 45 1HB SER 45 20.935 0.707 -0.834
312 HB3 SER 45 2HB SER 45 21.669 2.098 -0.037
313 HG SER 45 HG SER 45 19.048 2.369 -0.945
314 H GLY 46 H GLY 46 21.776 1.329 -4.295
315 HA2 GLY 46 1HA GLY 46 19.274 1.436 -5.610
316 HA3 GLY 46 2HA GLY 46 20.649 0.455 -6.095
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -3.217 -24.671 13.834
2 HA2 GLY 1 1HA GLY 1 -5.169 -23.533 11.935
3 HA3 GLY 1 2HA GLY 1 -5.589 -24.274 13.472
4 H SER 2 H SER 2 -5.518 -21.422 11.981
5 HA SER 2 HA SER 2 -5.650 -19.934 14.413
6 HB2 SER 2 1HB SER 2 -3.178 -20.098 14.096
7 HB3 SER 2 2HB SER 2 -3.358 -19.267 12.551
8 HG SER 2 HG SER 2 -2.876 -17.731 14.076
9 H SER 3 H SER 3 -7.076 -18.350 14.127
10 HA SER 3 HA SER 3 -7.853 -17.655 11.396
11 HB2 SER 3 1HB SER 3 -9.221 -16.930 13.998
12 HB3 SER 3 2HB SER 3 -9.885 -16.759 12.373
13 HG SER 3 HG SER 3 -10.364 -18.812 12.355
14 H GLY 4 H GLY 4 -7.425 -15.742 10.488
15 HA2 GLY 4 1HA GLY 4 -7.121 -13.327 11.983
16 HA3 GLY 4 2HA GLY 4 -5.566 -13.957 11.461
17 H SER 5 H SER 5 -8.738 -12.913 10.299
18 HA SER 5 HA SER 5 -7.466 -12.214 7.733
19 HB2 SER 5 1HB SER 5 -9.695 -12.515 6.687
20 HB3 SER 5 2HB SER 5 -9.093 -14.003 7.417
21 HG SER 5 HG SER 5 -10.536 -13.812 9.036
22 H SER 6 H SER 6 -7.195 -10.097 7.571
23 HA SER 6 HA SER 6 -9.233 -8.322 8.749
24 HB2 SER 6 1HB SER 6 -6.258 -8.151 8.638
25 HB3 SER 6 2HB SER 6 -7.172 -6.647 8.541
26 HG SER 6 HG SER 6 -6.753 -8.307 10.674
27 H GLY 7 H GLY 7 -10.522 -7.562 7.205
28 HA2 GLY 7 1HA GLY 7 -11.152 -6.368 5.334
29 HA3 GLY 7 2HA GLY 7 -9.452 -6.042 5.029
30 H SER 8 H SER 8 -12.167 -7.653 3.942
31 HA SER 8 HA SER 8 -10.520 -9.322 2.159
32 HB2 SER 8 1HB SER 8 -12.255 -11.038 2.181
33 HB3 SER 8 2HB SER 8 -11.706 -10.721 3.826
34 HG SER 8 HG SER 8 -13.929 -9.349 2.779
35 H GLY 9 H GLY 9 -12.702 -6.814 2.428
36 HA2 GLY 9 1HA GLY 9 -12.993 -6.593 -0.410
37 HA3 GLY 9 2HA GLY 9 -14.499 -7.064 0.363
38 H GLU 10 H GLU 10 -13.919 -5.541 2.801
39 HA GLU 10 HA GLU 10 -15.236 -3.176 2.220
40 HB2 GLU 10 1HB GLU 10 -13.611 -4.154 4.512
41 HB3 GLU 10 2HB GLU 10 -13.964 -2.433 4.446
42 HG2 GLU 10 1HG GLU 10 -16.373 -2.984 4.274
43 HG3 GLU 10 2HG GLU 10 -15.960 -4.683 4.493
44 H LYS 11 H LYS 11 -11.751 -3.579 2.863
45 HA LYS 11 HA LYS 11 -11.289 -1.033 1.456
46 HB2 LYS 11 1HB LYS 11 -8.990 -1.277 2.697
47 HB3 LYS 11 2HB LYS 11 -10.399 -0.662 3.551
48 HG2 LYS 11 1HG LYS 11 -10.782 -2.813 4.565
49 HG3 LYS 11 2HG LYS 11 -9.469 -3.525 3.624
50 HD2 LYS 11 1HD LYS 11 -8.088 -1.575 4.771
51 HD3 LYS 11 2HD LYS 11 -9.363 -1.716 5.983
52 HE2 LYS 11 1HE LYS 11 -7.478 -3.125 6.574
53 HE3 LYS 11 2HE LYS 11 -8.884 -4.115 6.188
54 HZ1 LYS 11 3HZ LYS 11 -6.333 -4.179 5.020
55 HZ2 LYS 11 1HZ LYS 11 -7.447 -3.725 3.830
56 HZ3 LYS 11 2HZ LYS 11 -7.666 -5.166 4.689
57 HA PRO 12 HA PRO 12 -9.602 -4.280 -1.351
58 HB2 PRO 12 1HB PRO 12 -10.341 -2.998 -3.627
59 HB3 PRO 12 2HB PRO 12 -11.427 -4.067 -2.730
60 HG2 PRO 12 1HG PRO 12 -11.264 -1.078 -2.703
61 HG3 PRO 12 2HG PRO 12 -12.698 -2.120 -2.747
62 HD2 PRO 12 1HD PRO 12 -11.818 -0.946 -0.471
63 HD3 PRO 12 2HD PRO 12 -12.625 -2.528 -0.479
64 H TYR 13 H TYR 13 -8.932 -1.072 -0.606
65 HA TYR 13 HA TYR 13 -6.761 -0.838 -2.552
66 HB2 TYR 13 1HB TYR 13 -8.077 1.100 -0.665
67 HB3 TYR 13 2HB TYR 13 -6.527 1.471 -1.414
68 HD1 TYR 13 HD2 TYR 13 -9.377 -0.339 -2.957
69 HD2 TYR 13 HD1 TYR 13 -7.107 3.258 -2.830
70 HE1 TYR 13 HE2 TYR 13 -10.545 0.463 -4.967
71 HE2 TYR 13 HE1 TYR 13 -8.270 4.070 -4.839
72 HH TYR 13 HH TYR 13 -10.869 2.184 -6.345
73 H LYS 14 H LYS 14 -4.904 -1.753 -1.995
74 HA LYS 14 HA LYS 14 -3.929 -1.378 0.755
75 HB2 LYS 14 1HB LYS 14 -4.619 -3.663 0.667
76 HB3 LYS 14 2HB LYS 14 -3.862 -3.898 -0.903
77 HG2 LYS 14 1HG LYS 14 -1.776 -4.124 -0.022
78 HG3 LYS 14 2HG LYS 14 -2.127 -3.088 1.363
79 HD2 LYS 14 1HD LYS 14 -3.212 -4.800 2.520
80 HD3 LYS 14 2HD LYS 14 -3.453 -5.760 1.059
81 HE2 LYS 14 1HE LYS 14 -1.027 -6.146 0.938
82 HE3 LYS 14 2HE LYS 14 -0.817 -5.222 2.424
83 HZ1 LYS 14 3HZ LYS 14 -1.928 -6.847 3.666
84 HZ2 LYS 14 1HZ LYS 14 -0.907 -7.723 2.640
85 HZ3 LYS 14 2HZ LYS 14 -2.558 -7.610 2.294
86 H CYS 15 H CYS 15 -2.015 -0.409 0.835
87 HA CYS 15 HA CYS 15 -0.607 0.378 -1.468
88 HB2 CYS 15 1HB CYS 15 -0.356 1.736 0.451
89 HB3 CYS 15 2HB CYS 15 0.097 0.366 1.461
90 H SER 16 H SER 16 0.736 -0.721 -2.723
91 HA SER 16 HA SER 16 1.776 -3.287 -1.798
92 HB2 SER 16 1HB SER 16 0.599 -2.861 -4.079
93 HB3 SER 16 2HB SER 16 2.155 -2.195 -4.573
94 HG SER 16 HG SER 16 1.666 -4.578 -4.868
95 H GLU 17 H GLU 17 2.929 -0.969 -0.651
96 HA GLU 17 HA GLU 17 5.665 -1.174 -1.720
97 HB2 GLU 17 1HB GLU 17 4.448 1.308 -0.498
98 HB3 GLU 17 2HB GLU 17 6.062 1.154 -1.178
99 HG2 GLU 17 1HG GLU 17 4.951 2.187 -2.888
100 HG3 GLU 17 2HG GLU 17 4.786 0.493 -3.348
101 H CYS 18 H CYS 18 3.564 -0.866 1.057
102 HA CYS 18 HA CYS 18 5.778 -1.765 2.765
103 HB2 CYS 18 1HB CYS 18 5.048 -0.277 4.563
104 HB3 CYS 18 2HB CYS 18 5.480 0.650 3.131
105 H GLY 19 H GLY 19 2.261 -1.302 2.515
106 HA2 GLY 19 1HA GLY 19 1.003 -3.472 2.698
107 HA3 GLY 19 2HA GLY 19 1.929 -3.727 4.170
108 H LYS 20 H LYS 20 0.180 -0.912 2.863
109 HA LYS 20 HA LYS 20 -1.475 -0.926 5.296
110 HB2 LYS 20 1HB LYS 20 0.462 0.852 5.076
111 HB3 LYS 20 2HB LYS 20 -0.694 1.667 4.031
112 HG2 LYS 20 1HG LYS 20 -1.076 2.618 6.108
113 HG3 LYS 20 2HG LYS 20 -2.341 1.393 5.984
114 HD2 LYS 20 1HD LYS 20 -1.081 -0.120 7.369
115 HD3 LYS 20 2HD LYS 20 0.300 0.980 7.383
116 HE2 LYS 20 1HE LYS 20 -2.402 1.787 8.422
117 HE3 LYS 20 2HE LYS 20 -1.216 0.968 9.437
118 HZ1 LYS 20 3HZ LYS 20 -1.144 3.407 9.629
119 HZ2 LYS 20 1HZ LYS 20 -0.717 3.515 7.996
120 HZ3 LYS 20 2HZ LYS 20 0.322 2.756 9.093
121 H ALA 21 H ALA 21 -3.550 -1.112 4.804
122 HA ALA 21 HA ALA 21 -4.477 -0.103 2.195
123 HB1 ALA 21 3HB ALA 21 -6.344 -1.758 2.472
124 HB2 ALA 21 1HB ALA 21 -4.741 -2.464 2.263
125 HB3 ALA 21 2HB ALA 21 -5.475 -2.400 3.866
126 H PHE 22 H PHE 22 -6.427 1.029 2.077
127 HA PHE 22 HA PHE 22 -7.664 1.810 4.619
128 HB2 PHE 22 1HB PHE 22 -6.869 3.762 2.449
129 HB3 PHE 22 2HB PHE 22 -7.699 4.159 3.950
130 HD1 PHE 22 HD1 PHE 22 -4.534 2.753 2.618
131 HD2 PHE 22 HD2 PHE 22 -6.491 4.689 5.865
132 HE1 PHE 22 HE1 PHE 22 -2.362 3.085 3.725
133 HE2 PHE 22 HE2 PHE 22 -4.322 5.025 6.976
134 HZ PHE 22 HZ PHE 22 -2.253 4.223 5.906
135 H HIS 23 H HIS 23 -9.814 1.724 4.559
136 HA HIS 23 HA HIS 23 -11.244 0.733 2.393
137 HB2 HIS 23 1HB HIS 23 -12.333 0.480 4.429
138 HB3 HIS 23 2HB HIS 23 -12.026 2.144 4.917
139 HD1 HIS 23 HD1 HIS 23 -14.074 3.509 4.925
140 HD2 HIS 23 HD2 HIS 23 -14.229 0.532 2.031
141 HE1 HIS 23 HE1 HIS 23 -16.323 3.755 3.827
142 H ARG 24 H ARG 24 -10.222 3.950 3.074
143 HA ARG 24 HA ARG 24 -11.875 4.953 0.849
144 HB2 ARG 24 1HB ARG 24 -10.824 6.380 3.292
145 HB3 ARG 24 2HB ARG 24 -11.499 7.221 1.904
146 HG2 ARG 24 1HG ARG 24 -13.641 6.255 2.256
147 HG3 ARG 24 2HG ARG 24 -13.005 5.143 3.468
148 HD2 ARG 24 1HD ARG 24 -14.211 7.019 4.489
149 HD3 ARG 24 2HD ARG 24 -12.508 7.002 4.947
150 HE ARG 24 HE ARG 24 -12.595 8.658 2.790
151 HH11 ARG 24 1HH1 ARG 24 -14.271 8.534 5.839
152 HH12 ARG 24 2HH1 ARG 24 -14.485 10.250 5.940
153 HH21 ARG 24 1HH2 ARG 24 -12.871 10.919 2.911
154 HH22 ARG 24 2HH2 ARG 24 -13.689 11.606 4.274
155 H HIS 25 H HIS 25 -10.766 5.316 -0.945
156 HA HIS 25 HA HIS 25 -8.073 5.079 -1.330
157 HB2 HIS 25 1HB HIS 25 -9.574 7.122 -2.928
158 HB3 HIS 25 2HB HIS 25 -8.388 5.938 -3.470
159 HD1 HIS 25 HD1 HIS 25 -11.437 6.455 -4.503
160 HD2 HIS 25 HD2 HIS 25 -10.003 3.279 -2.241
161 HE1 HIS 25 HE1 HIS 25 -13.052 4.568 -4.895
162 H THR 26 H THR 26 -9.830 8.131 -0.803
163 HA THR 26 HA THR 26 -7.913 10.006 -0.978
164 HB THR 26 HB THR 26 -9.998 10.815 -0.310
165 HG1 THR 26 HG1 THR 26 -8.776 11.038 2.210
166 HG21 THR 26 3HG2 THR 26 -9.838 8.989 2.091
167 HG22 THR 26 1HG2 THR 26 -10.876 8.773 0.682
168 HG23 THR 26 2HG2 THR 26 -11.137 10.137 1.769
169 H HIS 27 H HIS 27 -8.283 7.741 1.711
170 HA HIS 27 HA HIS 27 -6.226 8.850 3.320
171 HB2 HIS 27 1HB HIS 27 -7.786 6.309 3.303
172 HB3 HIS 27 2HB HIS 27 -6.302 6.359 4.249
173 HD1 HIS 27 HD1 HIS 27 -8.608 5.960 5.956
174 HD2 HIS 27 HD2 HIS 27 -7.558 9.775 4.689
175 HE1 HIS 27 HE1 HIS 27 -9.668 7.532 7.607
176 H LEU 28 H LEU 28 -6.293 5.972 1.219
177 HA LEU 28 HA LEU 28 -3.595 5.285 1.524
178 HB2 LEU 28 1HB LEU 28 -5.188 3.734 0.602
179 HB3 LEU 28 2HB LEU 28 -5.494 4.803 -0.765
180 HG LEU 28 HG LEU 28 -2.887 4.406 -1.146
181 HD11 LEU 28 1HD1 LEU 28 -3.152 1.657 -0.599
182 HD12 LEU 28 2HD1 LEU 28 -3.567 2.516 0.884
183 HD13 LEU 28 3HD1 LEU 28 -2.011 2.803 0.105
184 HD21 LEU 28 3HD2 LEU 28 -4.171 3.905 -2.959
185 HD22 LEU 28 1HD2 LEU 28 -5.309 2.932 -2.025
186 HD23 LEU 28 2HD2 LEU 28 -3.735 2.268 -2.465
187 H ASN 29 H ASN 29 -5.156 7.018 -1.178
188 HA ASN 29 HA ASN 29 -3.009 7.612 -2.731
189 HB2 ASN 29 1HB ASN 29 -5.384 8.274 -3.176
190 HB3 ASN 29 2HB ASN 29 -5.172 9.613 -2.051
191 HD21 ASN 29 1HD2 ASN 29 -5.851 9.794 -4.810
192 HD22 ASN 29 2HD2 ASN 29 -4.587 10.672 -5.595
193 H GLU 30 H GLU 30 -3.840 9.058 0.347
194 HA GLU 30 HA GLU 30 -1.820 11.112 0.147
195 HB2 GLU 30 1HB GLU 30 -3.522 11.901 1.462
196 HB3 GLU 30 2HB GLU 30 -3.880 10.318 2.137
197 HG2 GLU 30 1HG GLU 30 -2.292 10.501 3.778
198 HG3 GLU 30 2HG GLU 30 -1.317 11.645 2.857
199 H HIS 31 H HIS 31 -2.304 8.200 2.138
200 HA HIS 31 HA HIS 31 -0.030 8.221 3.651
201 HB2 HIS 31 1HB HIS 31 -1.393 6.440 4.168
202 HB3 HIS 31 2HB HIS 31 -1.683 6.033 2.479
203 HD1 HIS 31 HD1 HIS 31 0.405 5.163 5.366
204 HD2 HIS 31 HD2 HIS 31 0.481 4.560 1.256
205 HE1 HIS 31 HE1 HIS 31 2.069 3.316 4.988
206 H ARG 32 H ARG 32 -0.331 6.798 0.398
207 HA ARG 32 HA ARG 32 2.132 5.799 -0.049
208 HB2 ARG 32 1HB ARG 32 0.592 7.546 -1.979
209 HB3 ARG 32 2HB ARG 32 1.892 6.446 -2.419
210 HG2 ARG 32 1HG ARG 32 0.539 4.561 -1.580
211 HG3 ARG 32 2HG ARG 32 -0.776 5.691 -1.246
212 HD2 ARG 32 1HD ARG 32 0.439 5.067 -3.934
213 HD3 ARG 32 2HD ARG 32 -1.162 4.597 -3.364
214 HE ARG 32 HE ARG 32 -0.701 7.439 -3.365
215 HH11 ARG 32 1HH1 ARG 32 -1.763 4.695 -5.228
216 HH12 ARG 32 2HH1 ARG 32 -2.715 5.642 -6.322
217 HH21 ARG 32 1HH2 ARG 32 -1.952 8.696 -4.800
218 HH22 ARG 32 2HH2 ARG 32 -2.821 7.917 -6.079
219 H ARG 33 H ARG 33 1.355 9.136 0.430
220 HA ARG 33 HA ARG 33 3.460 10.459 -0.756
221 HB2 ARG 33 1HB ARG 33 2.014 10.987 1.835
222 HB3 ARG 33 2HB ARG 33 3.239 12.080 1.206
223 HG2 ARG 33 1HG ARG 33 1.940 12.532 -0.743
224 HG3 ARG 33 2HG ARG 33 0.780 11.270 -0.323
225 HD2 ARG 33 1HD ARG 33 -0.265 13.264 0.319
226 HD3 ARG 33 2HD ARG 33 0.378 12.599 1.820
227 HE ARG 33 HE ARG 33 1.236 15.010 0.470
228 HH11 ARG 33 1HH1 ARG 33 1.969 12.587 2.860
229 HH12 ARG 33 2HH1 ARG 33 3.090 13.588 3.720
230 HH21 ARG 33 1HH2 ARG 33 2.711 16.338 1.594
231 HH22 ARG 33 2HH2 ARG 33 3.511 15.722 3.000
232 H ILE 34 H ILE 34 3.392 8.858 2.407
233 HA ILE 34 HA ILE 34 5.857 9.573 3.396
234 HB ILE 34 HB ILE 34 5.847 7.550 4.706
235 HG12 ILE 34 1HG1 ILE 34 3.466 6.457 3.276
236 HG13 ILE 34 2HG1 ILE 34 5.052 6.217 2.551
237 HG21 ILE 34 1HG2 ILE 34 4.305 8.672 5.858
238 HG22 ILE 34 2HG2 ILE 34 3.500 9.222 4.389
239 HG23 ILE 34 3HG2 ILE 34 3.109 7.643 5.070
240 HD11 ILE 34 3HD1 ILE 34 4.230 5.367 5.318
241 HD12 ILE 34 1HD1 ILE 34 4.400 4.316 3.912
242 HD13 ILE 34 2HD1 ILE 34 5.816 5.120 4.589
243 H HIS 35 H HIS 35 5.148 7.564 0.692
244 HA HIS 35 HA HIS 35 7.784 6.346 0.635
245 HB2 HIS 35 1HB HIS 35 5.458 6.191 -1.291
246 HB3 HIS 35 2HB HIS 35 6.967 5.303 -1.479
247 HD1 HIS 35 HD1 HIS 35 7.360 4.278 1.378
248 HD2 HIS 35 HD2 HIS 35 3.721 4.210 -0.625
249 HE1 HIS 35 HE1 HIS 35 6.011 2.475 2.497
250 H THR 36 H THR 36 6.001 8.904 -0.972
251 HA THR 36 HA THR 36 7.967 9.359 -3.004
252 HB THR 36 HB THR 36 6.674 11.222 -3.681
253 HG1 THR 36 HG1 THR 36 5.372 11.112 -1.145
254 HG21 THR 36 3HG2 THR 36 4.248 10.017 -2.837
255 HG22 THR 36 1HG2 THR 36 5.424 8.730 -3.097
256 HG23 THR 36 2HG2 THR 36 5.059 9.866 -4.395
257 H GLY 37 H GLY 37 9.516 10.969 -3.130
258 HA2 GLY 37 1HA GLY 37 10.455 11.958 -0.556
259 HA3 GLY 37 2HA GLY 37 11.336 12.005 -2.076
260 H TYR 38 H TYR 38 11.753 14.223 -1.083
261 HA TYR 38 HA TYR 38 9.766 16.189 -0.964
262 HB2 TYR 38 1HB TYR 38 11.516 17.771 -0.844
263 HB3 TYR 38 2HB TYR 38 12.172 16.311 -0.111
264 HD1 TYR 38 HD2 TYR 38 13.535 14.756 -1.707
265 HD2 TYR 38 HD1 TYR 38 12.726 18.857 -2.498
266 HE1 TYR 38 HE2 TYR 38 15.438 14.825 -3.263
267 HE2 TYR 38 HE1 TYR 38 14.627 18.937 -4.058
268 HH TYR 38 HH TYR 38 16.048 17.593 -5.298
269 H ARG 39 H ARG 39 9.910 18.207 -2.463
270 HA ARG 39 HA ARG 39 9.551 17.231 -5.209
271 HB2 ARG 39 1HB ARG 39 8.195 19.257 -5.555
272 HB3 ARG 39 2HB ARG 39 7.582 18.276 -4.231
273 HG2 ARG 39 1HG ARG 39 7.458 20.324 -3.263
274 HG3 ARG 39 2HG ARG 39 9.106 19.895 -2.802
275 HD2 ARG 39 1HD ARG 39 9.845 21.069 -4.929
276 HD3 ARG 39 2HD ARG 39 8.204 21.705 -5.028
277 HE ARG 39 HE ARG 39 10.284 22.597 -3.293
278 HH11 ARG 39 1HH1 ARG 39 6.835 22.215 -3.567
279 HH12 ARG 39 2HH1 ARG 39 6.474 23.490 -2.452
280 HH21 ARG 39 1HH2 ARG 39 9.822 24.278 -1.823
281 HH22 ARG 39 2HH2 ARG 39 8.174 24.664 -1.461
282 HA PRO 40 HA PRO 40 13.108 19.422 -6.593
283 HB2 PRO 40 1HB PRO 40 12.438 19.730 -9.206
284 HB3 PRO 40 2HB PRO 40 12.938 18.181 -8.519
285 HG2 PRO 40 1HG PRO 40 10.181 19.199 -9.089
286 HG3 PRO 40 2HG PRO 40 10.863 17.589 -9.386
287 HD2 PRO 40 1HD PRO 40 9.276 18.130 -7.260
288 HD3 PRO 40 2HD PRO 40 10.581 16.928 -7.196
289 H SER 41 H SER 41 9.993 20.695 -7.773
290 HA SER 41 HA SER 41 10.789 23.371 -6.952
291 HB2 SER 41 1HB SER 41 10.398 22.527 -9.793
292 HB3 SER 41 2HB SER 41 9.856 24.134 -9.309
293 HG SER 41 HG SER 41 12.420 23.120 -9.554
294 H GLY 42 H GLY 42 8.903 24.949 -7.437
295 HA2 GLY 42 1HA GLY 42 6.374 24.674 -7.946
296 HA3 GLY 42 2HA GLY 42 6.447 23.587 -6.567
297 HA PRO 43 HA PRO 43 7.339 28.068 -4.930
298 HB2 PRO 43 1HB PRO 43 6.695 30.086 -6.628
299 HB3 PRO 43 2HB PRO 43 8.306 29.360 -6.565
300 HG2 PRO 43 1HG PRO 43 6.067 28.840 -8.483
301 HG3 PRO 43 2HG PRO 43 7.799 29.030 -8.810
302 HD2 PRO 43 1HD PRO 43 6.597 26.607 -8.686
303 HD3 PRO 43 2HD PRO 43 8.283 26.863 -8.190
304 H SER 44 H SER 44 5.762 28.414 -3.509
305 HA SER 44 HA SER 44 3.091 29.128 -4.492
306 HB2 SER 44 1HB SER 44 2.879 26.797 -3.943
307 HB3 SER 44 2HB SER 44 3.715 27.027 -2.408
308 HG SER 44 HG SER 44 1.534 26.978 -1.988
309 H SER 45 H SER 45 2.854 31.155 -3.808
310 HA SER 45 HA SER 45 4.118 32.160 -1.447
311 HB2 SER 45 1HB SER 45 3.396 33.397 -3.662
312 HB3 SER 45 2HB SER 45 1.879 33.622 -2.792
313 HG SER 45 HG SER 45 4.251 34.214 -1.447
314 H GLY 46 H GLY 46 3.122 32.920 0.456
315 HA2 GLY 46 1HA GLY 46 0.983 33.274 1.659
316 HA3 GLY 46 2HA GLY 46 0.457 31.746 0.969
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -17.632 -22.192 6.953
2 HA2 GLY 1 1HA GLY 1 -18.145 -24.214 5.066
3 HA3 GLY 1 2HA GLY 1 -18.357 -22.655 4.283
4 H SER 2 H SER 2 -16.596 -23.036 2.903
5 HA SER 2 HA SER 2 -13.966 -22.922 4.230
6 HB2 SER 2 1HB SER 2 -14.761 -24.221 1.619
7 HB3 SER 2 2HB SER 2 -13.084 -23.951 2.093
8 HG SER 2 HG SER 2 -13.781 -25.134 4.100
9 H SER 3 H SER 3 -15.718 -21.972 1.282
10 HA SER 3 HA SER 3 -13.771 -20.062 0.472
11 HB2 SER 3 1HB SER 3 -15.463 -19.342 -1.164
12 HB3 SER 3 2HB SER 3 -15.320 -21.100 -1.131
13 HG SER 3 HG SER 3 -17.151 -20.920 0.454
14 H GLY 4 H GLY 4 -16.861 -19.836 2.192
15 HA2 GLY 4 1HA GLY 4 -17.601 -18.230 3.674
16 HA3 GLY 4 2HA GLY 4 -16.019 -17.472 3.568
17 H SER 5 H SER 5 -18.955 -16.547 3.400
18 HA SER 5 HA SER 5 -18.755 -15.094 0.851
19 HB2 SER 5 1HB SER 5 -20.806 -16.452 1.177
20 HB3 SER 5 2HB SER 5 -21.187 -15.497 2.610
21 HG SER 5 HG SER 5 -22.248 -14.394 1.124
22 H SER 6 H SER 6 -19.588 -14.656 4.276
23 HA SER 6 HA SER 6 -20.029 -11.957 4.372
24 HB2 SER 6 1HB SER 6 -19.095 -12.052 6.709
25 HB3 SER 6 2HB SER 6 -20.302 -13.288 6.354
26 HG SER 6 HG SER 6 -18.169 -14.481 5.717
27 H GLY 7 H GLY 7 -18.865 -10.144 4.136
28 HA2 GLY 7 1HA GLY 7 -16.040 -10.441 3.423
29 HA3 GLY 7 2HA GLY 7 -17.048 -9.038 3.098
30 H SER 8 H SER 8 -17.818 -7.871 5.127
31 HA SER 8 HA SER 8 -17.213 -6.528 6.866
32 HB2 SER 8 1HB SER 8 -17.639 -8.660 8.070
33 HB3 SER 8 2HB SER 8 -15.931 -9.068 7.905
34 HG SER 8 HG SER 8 -16.950 -6.771 9.229
35 H GLY 9 H GLY 9 -15.524 -6.263 4.709
36 HA2 GLY 9 1HA GLY 9 -13.369 -4.875 5.694
37 HA3 GLY 9 2HA GLY 9 -12.772 -6.512 5.462
38 H GLU 10 H GLU 10 -14.745 -4.137 3.670
39 HA GLU 10 HA GLU 10 -13.590 -5.078 1.171
40 HB2 GLU 10 1HB GLU 10 -16.061 -4.521 1.508
41 HB3 GLU 10 2HB GLU 10 -15.571 -2.833 1.502
42 HG2 GLU 10 1HG GLU 10 -14.879 -2.923 -0.731
43 HG3 GLU 10 2HG GLU 10 -14.863 -4.685 -0.744
44 H LYS 11 H LYS 11 -11.431 -4.292 1.896
45 HA LYS 11 HA LYS 11 -11.097 -1.457 1.171
46 HB2 LYS 11 1HB LYS 11 -9.518 -3.007 3.233
47 HB3 LYS 11 2HB LYS 11 -9.188 -1.354 2.733
48 HG2 LYS 11 1HG LYS 11 -11.054 -0.515 3.806
49 HG3 LYS 11 2HG LYS 11 -11.873 -2.079 3.822
50 HD2 LYS 11 1HD LYS 11 -10.504 -2.890 5.564
51 HD3 LYS 11 2HD LYS 11 -9.346 -1.571 5.372
52 HE2 LYS 11 1HE LYS 11 -11.013 0.020 6.166
53 HE3 LYS 11 2HE LYS 11 -12.198 -1.277 6.315
54 HZ1 LYS 11 3HZ LYS 11 -10.350 -0.432 8.213
55 HZ2 LYS 11 1HZ LYS 11 -9.868 -1.979 7.728
56 HZ3 LYS 11 2HZ LYS 11 -11.430 -1.729 8.326
57 HA PRO 12 HA PRO 12 -8.662 -4.202 -1.692
58 HB2 PRO 12 1HB PRO 12 -9.486 -2.967 -3.965
59 HB3 PRO 12 2HB PRO 12 -10.381 -4.292 -3.214
60 HG2 PRO 12 1HG PRO 12 -10.864 -1.343 -3.041
61 HG3 PRO 12 2HG PRO 12 -12.035 -2.658 -3.254
62 HD2 PRO 12 1HD PRO 12 -11.600 -1.468 -0.861
63 HD3 PRO 12 2HD PRO 12 -12.047 -3.179 -1.009
64 H TYR 13 H TYR 13 -8.695 -1.023 -0.679
65 HA TYR 13 HA TYR 13 -6.675 -0.043 -2.512
66 HB2 TYR 13 1HB TYR 13 -8.026 1.163 -0.098
67 HB3 TYR 13 2HB TYR 13 -6.734 1.977 -0.973
68 HD1 TYR 13 HD2 TYR 13 -9.752 0.054 -2.065
69 HD2 TYR 13 HD1 TYR 13 -7.589 3.715 -2.223
70 HE1 TYR 13 HE2 TYR 13 -11.401 0.953 -3.652
71 HE2 TYR 13 HE1 TYR 13 -9.233 4.624 -3.811
72 HH TYR 13 HH TYR 13 -10.975 3.323 -5.603
73 H LYS 14 H LYS 14 -5.365 -2.029 -1.754
74 HA LYS 14 HA LYS 14 -3.993 -1.661 0.775
75 HB2 LYS 14 1HB LYS 14 -4.620 -3.921 -0.101
76 HB3 LYS 14 2HB LYS 14 -3.452 -3.693 -1.396
77 HG2 LYS 14 1HG LYS 14 -1.632 -3.727 0.103
78 HG3 LYS 14 2HG LYS 14 -2.690 -3.561 1.506
79 HD2 LYS 14 1HD LYS 14 -3.705 -5.812 0.534
80 HD3 LYS 14 2HD LYS 14 -2.084 -5.952 -0.153
81 HE2 LYS 14 1HE LYS 14 -1.101 -5.748 2.051
82 HE3 LYS 14 2HE LYS 14 -2.692 -5.489 2.766
83 HZ1 LYS 14 3HZ LYS 14 -2.576 -7.689 3.122
84 HZ2 LYS 14 1HZ LYS 14 -1.427 -7.951 1.907
85 HZ3 LYS 14 2HZ LYS 14 -3.065 -7.810 1.507
86 H CYS 15 H CYS 15 -1.902 -1.012 1.051
87 HA CYS 15 HA CYS 15 -0.713 0.449 -1.154
88 HB2 CYS 15 1HB CYS 15 -0.677 1.626 0.900
89 HB3 CYS 15 2HB CYS 15 -0.079 0.226 1.783
90 H SER 16 H SER 16 0.685 -0.450 -2.499
91 HA SER 16 HA SER 16 2.028 -2.926 -1.760
92 HB2 SER 16 1HB SER 16 0.844 -2.372 -4.038
93 HB3 SER 16 2HB SER 16 2.376 -1.589 -4.421
94 HG SER 16 HG SER 16 2.553 -3.685 -5.091
95 H GLU 17 H GLU 17 2.890 -0.595 -0.395
96 HA GLU 17 HA GLU 17 5.651 -0.412 -1.400
97 HB2 GLU 17 1HB GLU 17 4.148 1.821 -0.027
98 HB3 GLU 17 2HB GLU 17 5.778 1.896 -0.683
99 HG2 GLU 17 1HG GLU 17 4.567 2.937 -2.326
100 HG3 GLU 17 2HG GLU 17 4.623 1.280 -2.925
101 H CYS 18 H CYS 18 3.474 -0.503 1.343
102 HA CYS 18 HA CYS 18 5.762 -1.209 3.057
103 HB2 CYS 18 1HB CYS 18 4.717 -0.060 4.931
104 HB3 CYS 18 2HB CYS 18 4.952 1.064 3.596
105 H GLY 19 H GLY 19 2.236 -1.421 2.655
106 HA2 GLY 19 1HA GLY 19 1.393 -3.775 2.581
107 HA3 GLY 19 2HA GLY 19 2.347 -4.034 4.034
108 H LYS 20 H LYS 20 0.223 -1.335 3.128
109 HA LYS 20 HA LYS 20 -1.359 -1.906 5.549
110 HB2 LYS 20 1HB LYS 20 -0.662 0.723 4.242
111 HB3 LYS 20 2HB LYS 20 -1.912 0.568 5.469
112 HG2 LYS 20 1HG LYS 20 -0.279 -0.211 7.078
113 HG3 LYS 20 2HG LYS 20 0.987 -0.157 5.849
114 HD2 LYS 20 1HD LYS 20 1.352 1.862 6.847
115 HD3 LYS 20 2HD LYS 20 0.161 2.353 5.640
116 HE2 LYS 20 1HE LYS 20 -0.823 1.415 8.284
117 HE3 LYS 20 2HE LYS 20 -0.077 3.009 8.197
118 HZ1 LYS 20 3HZ LYS 20 -2.341 2.102 6.503
119 HZ2 LYS 20 1HZ LYS 20 -1.659 3.651 6.518
120 HZ3 LYS 20 2HZ LYS 20 -2.490 3.079 7.876
121 H ALA 21 H ALA 21 -3.617 -0.852 5.388
122 HA ALA 21 HA ALA 21 -4.718 -1.013 2.682
123 HB1 ALA 21 3HB ALA 21 -6.448 -2.556 3.298
124 HB2 ALA 21 1HB ALA 21 -4.888 -3.272 3.708
125 HB3 ALA 21 2HB ALA 21 -5.899 -2.573 4.974
126 H PHE 22 H PHE 22 -6.306 0.427 2.311
127 HA PHE 22 HA PHE 22 -7.490 1.801 4.630
128 HB2 PHE 22 1HB PHE 22 -6.895 3.211 2.038
129 HB3 PHE 22 2HB PHE 22 -7.248 3.914 3.613
130 HD1 PHE 22 HD1 PHE 22 -4.703 1.992 1.728
131 HD2 PHE 22 HD2 PHE 22 -5.526 4.467 5.092
132 HE1 PHE 22 HE1 PHE 22 -2.291 2.175 2.180
133 HE2 PHE 22 HE2 PHE 22 -3.116 4.655 5.548
134 HZ PHE 22 HZ PHE 22 -1.495 3.509 4.091
135 H HIS 23 H HIS 23 -9.576 2.800 4.219
136 HA HIS 23 HA HIS 23 -11.163 1.175 2.383
137 HB2 HIS 23 1HB HIS 23 -11.816 1.438 4.799
138 HB3 HIS 23 2HB HIS 23 -12.144 3.135 4.464
139 HD1 HIS 23 HD1 HIS 23 -14.012 0.334 5.036
140 HD2 HIS 23 HD2 HIS 23 -13.957 2.998 1.848
141 HE1 HIS 23 HE1 HIS 23 -16.253 0.095 3.920
142 H ARG 24 H ARG 24 -10.560 4.583 3.163
143 HA ARG 24 HA ARG 24 -11.992 5.382 0.736
144 HB2 ARG 24 1HB ARG 24 -11.175 6.777 3.246
145 HB3 ARG 24 2HB ARG 24 -11.369 7.733 1.782
146 HG2 ARG 24 1HG ARG 24 -13.666 6.955 1.562
147 HG3 ARG 24 2HG ARG 24 -13.474 5.964 3.010
148 HD2 ARG 24 1HD ARG 24 -14.437 7.804 3.948
149 HD3 ARG 24 2HD ARG 24 -12.744 8.284 4.053
150 HE ARG 24 HE ARG 24 -13.458 9.294 1.678
151 HH11 ARG 24 1HH1 ARG 24 -14.971 9.440 4.810
152 HH12 ARG 24 2HH1 ARG 24 -15.697 10.989 4.531
153 HH21 ARG 24 1HH2 ARG 24 -14.409 11.333 1.299
154 HH22 ARG 24 2HH2 ARG 24 -15.377 12.064 2.533
155 H HIS 25 H HIS 25 -10.938 5.900 -1.061
156 HA HIS 25 HA HIS 25 -8.338 5.504 -1.631
157 HB2 HIS 25 1HB HIS 25 -10.223 6.250 -3.198
158 HB3 HIS 25 2HB HIS 25 -9.765 7.898 -2.780
159 HD1 HIS 25 HD1 HIS 25 -6.786 7.869 -2.943
160 HD2 HIS 25 HD2 HIS 25 -9.176 5.810 -5.646
161 HE1 HIS 25 HE1 HIS 25 -5.367 7.561 -4.996
162 H THR 26 H THR 26 -9.613 8.721 -0.754
163 HA THR 26 HA THR 26 -7.461 10.289 -0.711
164 HB THR 26 HB THR 26 -9.412 10.079 1.591
165 HG1 THR 26 HG1 THR 26 -9.533 12.051 -0.402
166 HG21 THR 26 3HG2 THR 26 -7.188 11.930 1.010
167 HG22 THR 26 1HG2 THR 26 -7.935 11.504 2.549
168 HG23 THR 26 2HG2 THR 26 -8.708 12.683 1.489
169 H HIS 27 H HIS 27 -8.178 7.931 1.850
170 HA HIS 27 HA HIS 27 -5.946 8.482 3.460
171 HB2 HIS 27 1HB HIS 27 -7.594 5.974 3.124
172 HB3 HIS 27 2HB HIS 27 -6.327 6.138 4.336
173 HD1 HIS 27 HD1 HIS 27 -7.752 6.133 6.408
174 HD2 HIS 27 HD2 HIS 27 -9.004 8.932 3.605
175 HE1 HIS 27 HE1 HIS 27 -9.500 7.516 7.573
176 H LEU 28 H LEU 28 -6.418 5.926 1.021
177 HA LEU 28 HA LEU 28 -3.870 4.806 1.172
178 HB2 LEU 28 1HB LEU 28 -5.572 3.637 0.013
179 HB3 LEU 28 2HB LEU 28 -5.849 4.989 -1.083
180 HG LEU 28 HG LEU 28 -3.487 4.551 -1.949
181 HD11 LEU 28 1HD1 LEU 28 -3.361 1.811 -1.505
182 HD12 LEU 28 2HD1 LEU 28 -3.694 2.508 0.080
183 HD13 LEU 28 3HD1 LEU 28 -2.289 3.044 -0.842
184 HD21 LEU 28 3HD2 LEU 28 -5.751 3.901 -2.987
185 HD22 LEU 28 1HD2 LEU 28 -5.358 2.266 -2.457
186 HD23 LEU 28 2HD2 LEU 28 -4.294 3.105 -3.585
187 H ASN 29 H ASN 29 -5.083 7.304 -1.058
188 HA ASN 29 HA ASN 29 -2.678 7.737 -2.422
189 HB2 ASN 29 1HB ASN 29 -4.853 8.567 -3.220
190 HB3 ASN 29 2HB ASN 29 -4.910 9.708 -1.879
191 HD21 ASN 29 1HD2 ASN 29 -5.195 11.084 -3.897
192 HD22 ASN 29 2HD2 ASN 29 -3.754 11.777 -4.552
193 H GLU 30 H GLU 30 -4.113 9.803 0.112
194 HA GLU 30 HA GLU 30 -2.013 11.517 0.516
195 HB2 GLU 30 1HB GLU 30 -4.069 10.413 2.408
196 HB3 GLU 30 2HB GLU 30 -2.849 11.548 2.966
197 HG2 GLU 30 1HG GLU 30 -4.483 12.224 0.569
198 HG3 GLU 30 2HG GLU 30 -5.186 12.389 2.177
199 H HIS 31 H HIS 31 -2.327 8.206 1.568
200 HA HIS 31 HA HIS 31 -0.161 8.256 3.425
201 HB2 HIS 31 1HB HIS 31 -1.690 6.520 3.794
202 HB3 HIS 31 2HB HIS 31 -1.736 6.073 2.091
203 HD1 HIS 31 HD1 HIS 31 0.253 5.590 5.216
204 HD2 HIS 31 HD2 HIS 31 0.304 4.347 1.252
205 HE1 HIS 31 HE1 HIS 31 1.914 3.705 5.124
206 H ARG 32 H ARG 32 -0.479 6.865 0.155
207 HA ARG 32 HA ARG 32 1.980 5.888 -0.322
208 HB2 ARG 32 1HB ARG 32 0.169 7.493 -2.101
209 HB3 ARG 32 2HB ARG 32 1.713 6.902 -2.699
210 HG2 ARG 32 1HG ARG 32 1.071 4.650 -2.426
211 HG3 ARG 32 2HG ARG 32 -0.335 5.092 -1.456
212 HD2 ARG 32 1HD ARG 32 -1.261 4.618 -3.531
213 HD3 ARG 32 2HD ARG 32 -1.098 6.374 -3.561
214 HE ARG 32 HE ARG 32 1.214 5.507 -4.675
215 HH11 ARG 32 1HH1 ARG 32 -2.150 4.869 -5.306
216 HH12 ARG 32 2HH1 ARG 32 -1.914 4.594 -7.001
217 HH21 ARG 32 1HH2 ARG 32 1.537 5.147 -6.905
218 HH22 ARG 32 2HH2 ARG 32 0.183 4.752 -7.909
219 H ARG 33 H ARG 33 1.202 9.226 0.180
220 HA ARG 33 HA ARG 33 3.294 10.568 -0.990
221 HB2 ARG 33 1HB ARG 33 1.984 11.066 1.686
222 HB3 ARG 33 2HB ARG 33 3.083 12.198 0.909
223 HG2 ARG 33 1HG ARG 33 1.456 12.063 -1.086
224 HG3 ARG 33 2HG ARG 33 0.327 11.385 0.088
225 HD2 ARG 33 1HD ARG 33 1.746 14.032 0.364
226 HD3 ARG 33 2HD ARG 33 0.081 13.826 -0.178
227 HE ARG 33 HE ARG 33 0.019 12.597 2.189
228 HH11 ARG 33 1HH1 ARG 33 1.350 15.671 1.241
229 HH12 ARG 33 2HH1 ARG 33 1.090 16.408 2.787
230 HH21 ARG 33 1HH2 ARG 33 -0.329 13.555 4.229
231 HH22 ARG 33 2HH2 ARG 33 0.136 15.203 4.486
232 H ILE 34 H ILE 34 3.269 9.139 2.275
233 HA ILE 34 HA ILE 34 5.835 9.771 3.059
234 HB ILE 34 HB ILE 34 5.749 7.912 4.590
235 HG12 ILE 34 1HG1 ILE 34 3.210 6.869 3.416
236 HG13 ILE 34 2HG1 ILE 34 4.728 6.420 2.645
237 HG21 ILE 34 1HG2 ILE 34 3.359 9.586 4.146
238 HG22 ILE 34 2HG2 ILE 34 3.173 8.233 5.260
239 HG23 ILE 34 3HG2 ILE 34 4.410 9.455 5.556
240 HD11 ILE 34 3HD1 ILE 34 4.845 4.766 4.110
241 HD12 ILE 34 1HD1 ILE 34 5.180 5.985 5.340
242 HD13 ILE 34 2HD1 ILE 34 3.527 5.432 5.073
243 H HIS 35 H HIS 35 4.859 7.677 0.551
244 HA HIS 35 HA HIS 35 7.447 6.304 0.498
245 HB2 HIS 35 1HB HIS 35 4.877 5.820 -1.014
246 HB3 HIS 35 2HB HIS 35 6.370 4.940 -1.327
247 HD1 HIS 35 HD1 HIS 35 7.351 4.082 1.308
248 HD2 HIS 35 HD2 HIS 35 3.288 4.214 0.451
249 HE1 HIS 35 HE1 HIS 35 6.267 2.515 2.949
250 H THR 36 H THR 36 5.552 8.688 -1.173
251 HA THR 36 HA THR 36 7.682 8.937 -3.197
252 HB THR 36 HB THR 36 5.578 8.348 -4.253
253 HG1 THR 36 HG1 THR 36 6.786 9.799 -5.449
254 HG21 THR 36 3HG2 THR 36 4.412 10.860 -3.057
255 HG22 THR 36 1HG2 THR 36 4.123 9.242 -2.420
256 HG23 THR 36 2HG2 THR 36 3.582 9.659 -4.045
257 H GLY 37 H GLY 37 8.947 10.643 -2.894
258 HA2 GLY 37 1HA GLY 37 7.788 13.230 -2.282
259 HA3 GLY 37 2HA GLY 37 8.845 12.582 -1.036
260 H TYR 38 H TYR 38 9.405 14.977 -2.295
261 HA TYR 38 HA TYR 38 11.407 14.435 -4.338
262 HB2 TYR 38 1HB TYR 38 11.382 16.705 -4.814
263 HB3 TYR 38 2HB TYR 38 9.731 16.438 -4.265
264 HD1 TYR 38 HD2 TYR 38 9.203 16.969 -1.812
265 HD2 TYR 38 HD1 TYR 38 12.729 18.311 -3.779
266 HE1 TYR 38 HE2 TYR 38 9.485 18.715 -0.103
267 HE2 TYR 38 HE1 TYR 38 13.021 20.060 -2.075
268 HH TYR 38 HH TYR 38 10.921 20.241 0.750
269 H ARG 39 H ARG 39 13.601 15.054 -4.141
270 HA ARG 39 HA ARG 39 14.547 15.178 -1.353
271 HB2 ARG 39 1HB ARG 39 16.487 13.945 -1.989
272 HB3 ARG 39 2HB ARG 39 15.097 13.089 -2.644
273 HG2 ARG 39 1HG ARG 39 15.528 14.136 -4.837
274 HG3 ARG 39 2HG ARG 39 16.973 14.889 -4.160
275 HD2 ARG 39 1HD ARG 39 17.965 12.742 -3.744
276 HD3 ARG 39 2HD ARG 39 16.479 11.917 -4.212
277 HE ARG 39 HE ARG 39 17.589 13.575 -6.282
278 HH11 ARG 39 1HH1 ARG 39 17.633 10.427 -4.797
279 HH12 ARG 39 2HH1 ARG 39 18.232 9.624 -6.211
280 HH21 ARG 39 1HH2 ARG 39 18.377 12.530 -8.150
281 HH22 ARG 39 2HH2 ARG 39 18.655 10.822 -8.118
282 HA PRO 40 HA PRO 40 16.413 19.063 -2.222
283 HB2 PRO 40 1HB PRO 40 18.426 19.024 -0.401
284 HB3 PRO 40 2HB PRO 40 16.731 19.256 0.045
285 HG2 PRO 40 1HG PRO 40 18.396 16.770 0.155
286 HG3 PRO 40 2HG PRO 40 17.242 17.398 1.346
287 HD2 PRO 40 1HD PRO 40 16.615 15.408 -0.379
288 HD3 PRO 40 2HD PRO 40 15.418 16.586 0.195
289 H SER 41 H SER 41 17.287 18.904 -4.272
290 HA SER 41 HA SER 41 19.414 17.341 -5.101
291 HB2 SER 41 1HB SER 41 18.287 19.949 -6.060
292 HB3 SER 41 2HB SER 41 19.761 19.314 -6.792
293 HG SER 41 HG SER 41 18.507 18.075 -7.916
294 H GLY 42 H GLY 42 21.545 17.363 -4.767
295 HA2 GLY 42 1HA GLY 42 23.018 19.769 -4.278
296 HA3 GLY 42 2HA GLY 42 22.809 18.820 -2.814
297 HA PRO 43 HA PRO 43 26.252 17.197 -5.775
298 HB2 PRO 43 1HB PRO 43 28.388 18.675 -4.985
299 HB3 PRO 43 2HB PRO 43 27.342 19.142 -6.331
300 HG2 PRO 43 1HG PRO 43 27.331 20.112 -3.498
301 HG3 PRO 43 2HG PRO 43 27.162 21.040 -5.000
302 HD2 PRO 43 1HD PRO 43 25.040 20.357 -3.463
303 HD3 PRO 43 2HD PRO 43 24.932 20.503 -5.229
304 H SER 44 H SER 44 25.779 17.875 -2.458
305 HA SER 44 HA SER 44 27.944 16.780 -1.174
306 HB2 SER 44 1HB SER 44 25.672 17.763 -0.264
307 HB3 SER 44 2HB SER 44 25.208 16.063 -0.193
308 HG SER 44 HG SER 44 26.149 16.343 1.719
309 H SER 45 H SER 45 28.794 14.806 -0.903
310 HA SER 45 HA SER 45 27.921 12.659 -2.554
311 HB2 SER 45 1HB SER 45 30.315 13.191 -1.758
312 HB3 SER 45 2HB SER 45 29.861 12.369 -0.266
313 HG SER 45 HG SER 45 29.431 11.134 -2.758
314 H GLY 46 H GLY 46 27.238 10.554 -1.883
315 HA2 GLY 46 1HA GLY 46 26.627 9.662 0.634
316 HA3 GLY 46 2HA GLY 46 25.248 10.653 0.181
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.326 -30.452 5.511
2 HA2 GLY 1 1HA GLY 1 -0.359 -28.854 6.421
3 HA3 GLY 1 2HA GLY 1 0.113 -29.440 8.010
4 H SER 2 H SER 2 0.184 -26.724 6.799
5 HA SER 2 HA SER 2 3.000 -26.155 7.414
6 HB2 SER 2 1HB SER 2 2.674 -26.089 4.949
7 HB3 SER 2 2HB SER 2 1.447 -24.843 5.170
8 HG SER 2 HG SER 2 3.052 -23.510 6.070
9 H SER 3 H SER 3 2.980 -24.987 9.210
10 HA SER 3 HA SER 3 0.711 -23.435 10.015
11 HB2 SER 3 1HB SER 3 2.006 -24.516 11.732
12 HB3 SER 3 2HB SER 3 3.486 -23.730 11.183
13 HG SER 3 HG SER 3 2.352 -22.786 13.067
14 H GLY 4 H GLY 4 0.545 -21.961 8.232
15 HA2 GLY 4 1HA GLY 4 2.523 -19.770 8.383
16 HA3 GLY 4 2HA GLY 4 1.775 -20.270 6.873
17 H SER 5 H SER 5 1.493 -17.743 7.207
18 HA SER 5 HA SER 5 -1.307 -17.405 7.957
19 HB2 SER 5 1HB SER 5 -0.131 -16.731 9.975
20 HB3 SER 5 2HB SER 5 0.928 -15.674 9.042
21 HG SER 5 HG SER 5 -1.877 -15.401 9.384
22 H SER 6 H SER 6 -2.376 -15.812 6.812
23 HA SER 6 HA SER 6 -0.837 -14.622 4.601
24 HB2 SER 6 1HB SER 6 -2.817 -16.314 4.229
25 HB3 SER 6 2HB SER 6 -3.820 -14.893 4.521
26 HG SER 6 HG SER 6 -3.080 -13.974 2.717
27 H GLY 7 H GLY 7 -1.228 -12.471 3.996
28 HA2 GLY 7 1HA GLY 7 -2.596 -10.869 6.070
29 HA3 GLY 7 2HA GLY 7 -1.140 -10.341 5.241
30 H SER 8 H SER 8 -4.539 -11.189 4.703
31 HA SER 8 HA SER 8 -4.544 -9.331 2.415
32 HB2 SER 8 1HB SER 8 -6.343 -11.720 2.895
33 HB3 SER 8 2HB SER 8 -6.429 -10.632 1.510
34 HG SER 8 HG SER 8 -4.165 -11.276 1.140
35 H GLY 9 H GLY 9 -5.665 -7.524 2.690
36 HA2 GLY 9 1HA GLY 9 -7.523 -7.347 4.949
37 HA3 GLY 9 2HA GLY 9 -6.826 -5.991 4.074
38 H GLU 10 H GLU 10 -9.661 -7.207 4.739
39 HA GLU 10 HA GLU 10 -11.017 -7.796 2.411
40 HB2 GLU 10 1HB GLU 10 -11.835 -6.454 4.963
41 HB3 GLU 10 2HB GLU 10 -12.980 -6.568 3.634
42 HG2 GLU 10 1HG GLU 10 -13.023 -8.902 3.715
43 HG3 GLU 10 2HG GLU 10 -11.548 -8.983 4.676
44 H LYS 11 H LYS 11 -9.801 -4.738 3.519
45 HA LYS 11 HA LYS 11 -11.360 -2.988 1.992
46 HB2 LYS 11 1HB LYS 11 -8.664 -2.869 3.250
47 HB3 LYS 11 2HB LYS 11 -9.060 -1.639 2.058
48 HG2 LYS 11 1HG LYS 11 -9.583 -0.784 4.219
49 HG3 LYS 11 2HG LYS 11 -11.100 -1.105 3.375
50 HD2 LYS 11 1HD LYS 11 -11.580 -2.049 5.400
51 HD3 LYS 11 2HD LYS 11 -10.865 -3.443 4.588
52 HE2 LYS 11 1HE LYS 11 -8.639 -2.553 5.592
53 HE3 LYS 11 2HE LYS 11 -9.694 -1.667 6.692
54 HZ1 LYS 11 3HZ LYS 11 -10.245 -3.525 7.786
55 HZ2 LYS 11 1HZ LYS 11 -8.838 -4.171 7.103
56 HZ3 LYS 11 2HZ LYS 11 -10.340 -4.468 6.385
57 HA PRO 12 HA PRO 12 -10.097 -3.723 -2.158
58 HB2 PRO 12 1HB PRO 12 -10.636 -1.287 -3.228
59 HB3 PRO 12 2HB PRO 12 -11.898 -2.439 -2.779
60 HG2 PRO 12 1HG PRO 12 -10.887 -0.057 -1.274
61 HG3 PRO 12 2HG PRO 12 -12.557 -0.604 -1.513
62 HD2 PRO 12 1HD PRO 12 -11.184 -1.072 0.773
63 HD3 PRO 12 2HD PRO 12 -12.406 -2.196 0.146
64 H TYR 13 H TYR 13 -9.069 -0.537 -0.915
65 HA TYR 13 HA TYR 13 -6.737 -0.514 -2.604
66 HB2 TYR 13 1HB TYR 13 -7.348 1.343 -0.303
67 HB3 TYR 13 2HB TYR 13 -6.279 1.643 -1.669
68 HD1 TYR 13 HD1 TYR 13 -7.412 1.617 -4.023
69 HD2 TYR 13 HD2 TYR 13 -9.527 2.137 -0.368
70 HE1 TYR 13 HE1 TYR 13 -9.269 2.658 -5.253
71 HE2 TYR 13 HE2 TYR 13 -11.391 3.178 -1.588
72 HH TYR 13 HH TYR 13 -11.691 3.038 -4.956
73 H LYS 14 H LYS 14 -4.833 -1.383 -2.150
74 HA LYS 14 HA LYS 14 -4.033 -1.708 0.654
75 HB2 LYS 14 1HB LYS 14 -4.918 -3.867 -0.041
76 HB3 LYS 14 2HB LYS 14 -3.890 -3.857 -1.468
77 HG2 LYS 14 1HG LYS 14 -2.738 -5.248 -0.042
78 HG3 LYS 14 2HG LYS 14 -1.947 -3.695 0.237
79 HD2 LYS 14 1HD LYS 14 -3.161 -3.354 2.262
80 HD3 LYS 14 2HD LYS 14 -4.212 -4.734 1.931
81 HE2 LYS 14 1HE LYS 14 -2.441 -6.274 2.282
82 HE3 LYS 14 2HE LYS 14 -1.234 -4.989 2.286
83 HZ1 LYS 14 3HZ LYS 14 -2.459 -4.124 4.312
84 HZ2 LYS 14 1HZ LYS 14 -1.555 -5.539 4.519
85 HZ3 LYS 14 2HZ LYS 14 -3.237 -5.625 4.367
86 H CYS 15 H CYS 15 -2.342 -0.364 0.764
87 HA CYS 15 HA CYS 15 -0.691 0.514 -1.241
88 HB2 CYS 15 1HB CYS 15 -0.593 1.570 0.899
89 HB3 CYS 15 2HB CYS 15 -0.102 0.074 1.687
90 H SER 16 H SER 16 0.858 -0.342 -2.463
91 HA SER 16 HA SER 16 1.824 -3.034 -1.787
92 HB2 SER 16 1HB SER 16 0.675 -2.787 -3.966
93 HB3 SER 16 2HB SER 16 1.884 -1.599 -4.454
94 HG SER 16 HG SER 16 3.436 -3.180 -4.429
95 H GLU 17 H GLU 17 2.973 -0.927 -0.400
96 HA GLU 17 HA GLU 17 5.691 -0.929 -1.525
97 HB2 GLU 17 1HB GLU 17 4.194 1.373 -0.284
98 HB3 GLU 17 2HB GLU 17 5.948 1.350 -0.394
99 HG2 GLU 17 1HG GLU 17 4.312 0.895 -2.844
100 HG3 GLU 17 2HG GLU 17 4.531 2.531 -2.225
101 H CYS 18 H CYS 18 3.652 -0.758 1.344
102 HA CYS 18 HA CYS 18 5.883 -1.875 2.905
103 HB2 CYS 18 1HB CYS 18 5.113 -0.584 4.861
104 HB3 CYS 18 2HB CYS 18 5.617 0.465 3.539
105 H GLY 19 H GLY 19 2.378 -1.514 2.578
106 HA2 GLY 19 1HA GLY 19 1.226 -3.761 2.631
107 HA3 GLY 19 2HA GLY 19 2.058 -3.987 4.162
108 H LYS 20 H LYS 20 0.658 -0.946 3.106
109 HA LYS 20 HA LYS 20 -1.104 -1.012 5.439
110 HB2 LYS 20 1HB LYS 20 0.490 0.942 4.799
111 HB3 LYS 20 2HB LYS 20 -0.754 1.357 3.627
112 HG2 LYS 20 1HG LYS 20 -1.417 2.648 5.377
113 HG3 LYS 20 2HG LYS 20 -2.323 1.176 5.736
114 HD2 LYS 20 1HD LYS 20 -0.312 0.493 7.154
115 HD3 LYS 20 2HD LYS 20 0.216 2.170 7.003
116 HE2 LYS 20 1HE LYS 20 -2.539 1.460 7.962
117 HE3 LYS 20 2HE LYS 20 -1.165 1.524 9.064
118 HZ1 LYS 20 3HZ LYS 20 -2.421 3.615 8.979
119 HZ2 LYS 20 1HZ LYS 20 -2.048 3.771 7.336
120 HZ3 LYS 20 2HZ LYS 20 -0.814 3.817 8.492
121 H ALA 21 H ALA 21 -3.327 -0.376 5.271
122 HA ALA 21 HA ALA 21 -4.509 -0.558 2.595
123 HB1 ALA 21 3HB ALA 21 -4.829 -2.499 4.778
124 HB2 ALA 21 1HB ALA 21 -6.328 -1.977 4.009
125 HB3 ALA 21 2HB ALA 21 -5.042 -2.697 3.039
126 H PHE 22 H PHE 22 -6.348 0.636 2.307
127 HA PHE 22 HA PHE 22 -7.516 1.961 4.648
128 HB2 PHE 22 1HB PHE 22 -6.673 3.394 2.119
129 HB3 PHE 22 2HB PHE 22 -7.526 4.121 3.477
130 HD1 PHE 22 HD1 PHE 22 -4.330 2.733 2.328
131 HD2 PHE 22 HD2 PHE 22 -6.379 4.712 5.490
132 HE1 PHE 22 HE1 PHE 22 -2.174 3.263 3.387
133 HE2 PHE 22 HE2 PHE 22 -4.226 5.247 6.554
134 HZ PHE 22 HZ PHE 22 -2.120 4.523 5.503
135 H HIS 23 H HIS 23 -9.688 2.269 4.548
136 HA HIS 23 HA HIS 23 -11.180 0.786 2.658
137 HB2 HIS 23 1HB HIS 23 -12.277 0.944 4.684
138 HB3 HIS 23 2HB HIS 23 -11.846 2.637 4.906
139 HD1 HIS 23 HD1 HIS 23 -14.160 0.534 2.749
140 HD2 HIS 23 HD2 HIS 23 -13.843 4.374 4.305
141 HE1 HIS 23 HE1 HIS 23 -16.315 1.683 2.148
142 H ARG 24 H ARG 24 -10.434 4.213 2.983
143 HA ARG 24 HA ARG 24 -11.921 4.756 0.507
144 HB2 ARG 24 1HB ARG 24 -11.149 6.417 2.862
145 HB3 ARG 24 2HB ARG 24 -11.311 7.210 1.301
146 HG2 ARG 24 1HG ARG 24 -13.606 6.355 1.122
147 HG3 ARG 24 2HG ARG 24 -13.437 5.614 2.715
148 HD2 ARG 24 1HD ARG 24 -13.387 7.665 3.802
149 HD3 ARG 24 2HD ARG 24 -12.918 8.537 2.343
150 HE ARG 24 HE ARG 24 -15.493 7.375 2.058
151 HH11 ARG 24 1HH1 ARG 24 -13.803 10.026 3.554
152 HH12 ARG 24 2HH1 ARG 24 -15.190 11.064 3.581
153 HH21 ARG 24 1HH2 ARG 24 -17.325 8.733 2.088
154 HH22 ARG 24 2HH2 ARG 24 -17.193 10.328 2.748
155 H HIS 25 H HIS 25 -10.938 5.708 -1.253
156 HA HIS 25 HA HIS 25 -8.249 5.088 -1.738
157 HB2 HIS 25 1HB HIS 25 -10.127 5.500 -3.432
158 HB3 HIS 25 2HB HIS 25 -9.777 7.214 -3.231
159 HD1 HIS 25 HD1 HIS 25 -8.480 7.954 -5.194
160 HD2 HIS 25 HD2 HIS 25 -7.293 4.190 -3.896
161 HE1 HIS 25 HE1 HIS 25 -6.558 7.306 -6.680
162 H THR 26 H THR 26 -9.790 8.211 -1.026
163 HA THR 26 HA THR 26 -7.700 9.939 -1.238
164 HB THR 26 HB THR 26 -8.701 11.196 0.720
165 HG1 THR 26 HG1 THR 26 -9.972 10.089 1.985
166 HG21 THR 26 3HG2 THR 26 -10.961 10.463 -1.057
167 HG22 THR 26 1HG2 THR 26 -9.499 11.078 -1.825
168 HG23 THR 26 2HG2 THR 26 -10.337 12.052 -0.617
169 H HIS 27 H HIS 27 -8.422 7.902 1.586
170 HA HIS 27 HA HIS 27 -6.336 8.768 3.225
171 HB2 HIS 27 1HB HIS 27 -7.922 6.230 3.055
172 HB3 HIS 27 2HB HIS 27 -6.554 6.333 4.159
173 HD1 HIS 27 HD1 HIS 27 -8.172 6.140 6.186
174 HD2 HIS 27 HD2 HIS 27 -8.787 9.490 3.806
175 HE1 HIS 27 HE1 HIS 27 -9.663 7.655 7.530
176 H LEU 28 H LEU 28 -6.431 5.955 1.039
177 HA LEU 28 HA LEU 28 -3.870 5.008 1.433
178 HB2 LEU 28 1HB LEU 28 -5.357 3.722 0.134
179 HB3 LEU 28 2HB LEU 28 -5.624 5.040 -1.005
180 HG LEU 28 HG LEU 28 -3.060 4.697 -1.495
181 HD11 LEU 28 1HD1 LEU 28 -3.518 2.638 0.340
182 HD12 LEU 28 2HD1 LEU 28 -2.091 2.883 -0.667
183 HD13 LEU 28 3HD1 LEU 28 -3.407 1.857 -1.238
184 HD21 LEU 28 3HD2 LEU 28 -5.506 3.492 -2.557
185 HD22 LEU 28 1HD2 LEU 28 -4.029 2.630 -2.987
186 HD23 LEU 28 2HD2 LEU 28 -4.200 4.338 -3.389
187 H ASN 29 H ASN 29 -4.928 7.365 -1.023
188 HA ASN 29 HA ASN 29 -2.433 7.877 -2.147
189 HB2 ASN 29 1HB ASN 29 -4.865 8.687 -2.787
190 HB3 ASN 29 2HB ASN 29 -4.403 10.108 -1.855
191 HD21 ASN 29 1HD2 ASN 29 -4.788 9.330 -4.828
192 HD22 ASN 29 2HD2 ASN 29 -3.428 10.070 -5.595
193 H GLU 30 H GLU 30 -4.067 9.506 0.553
194 HA GLU 30 HA GLU 30 -2.123 11.461 1.033
195 HB2 GLU 30 1HB GLU 30 -4.287 10.203 2.657
196 HB3 GLU 30 2HB GLU 30 -3.089 11.188 3.485
197 HG2 GLU 30 1HG GLU 30 -3.636 13.086 2.088
198 HG3 GLU 30 2HG GLU 30 -4.779 12.107 1.171
199 H HIS 31 H HIS 31 -2.038 8.094 1.541
200 HA HIS 31 HA HIS 31 0.021 8.229 3.595
201 HB2 HIS 31 1HB HIS 31 -1.437 6.446 4.002
202 HB3 HIS 31 2HB HIS 31 -1.516 5.997 2.301
203 HD1 HIS 31 HD1 HIS 31 0.714 5.707 5.318
204 HD2 HIS 31 HD2 HIS 31 0.404 4.192 1.462
205 HE1 HIS 31 HE1 HIS 31 2.388 3.835 5.195
206 H ARG 32 H ARG 32 -0.326 6.986 0.277
207 HA ARG 32 HA ARG 32 2.157 6.018 -0.231
208 HB2 ARG 32 1HB ARG 32 0.400 7.699 -2.020
209 HB3 ARG 32 2HB ARG 32 1.851 6.886 -2.590
210 HG2 ARG 32 1HG ARG 32 0.768 4.752 -1.642
211 HG3 ARG 32 2HG ARG 32 -0.723 5.695 -1.643
212 HD2 ARG 32 1HD ARG 32 -0.718 4.576 -3.704
213 HD3 ARG 32 2HD ARG 32 -0.196 6.218 -4.079
214 HE ARG 32 HE ARG 32 1.789 5.359 -4.795
215 HH11 ARG 32 1HH1 ARG 32 0.273 3.039 -2.689
216 HH12 ARG 32 2HH1 ARG 32 1.469 1.816 -2.960
217 HH21 ARG 32 1HH2 ARG 32 3.371 3.757 -5.160
218 HH22 ARG 32 2HH2 ARG 32 3.232 2.226 -4.365
219 H ARG 33 H ARG 33 1.329 9.299 0.422
220 HA ARG 33 HA ARG 33 3.318 10.754 -0.791
221 HB2 ARG 33 1HB ARG 33 1.896 11.044 1.827
222 HB3 ARG 33 2HB ARG 33 3.215 12.138 1.435
223 HG2 ARG 33 1HG ARG 33 1.860 12.411 -0.811
224 HG3 ARG 33 2HG ARG 33 0.520 11.897 0.217
225 HD2 ARG 33 1HD ARG 33 0.711 13.751 1.605
226 HD3 ARG 33 2HD ARG 33 2.372 14.071 1.110
227 HE ARG 33 HE ARG 33 1.550 15.382 -0.560
228 HH11 ARG 33 1HH1 ARG 33 -0.941 13.158 0.423
229 HH12 ARG 33 2HH1 ARG 33 -2.147 13.847 -0.612
230 HH21 ARG 33 1HH2 ARG 33 -0.029 16.298 -1.928
231 HH22 ARG 33 2HH2 ARG 33 -1.627 15.633 -1.950
232 H ILE 34 H ILE 34 3.508 9.017 2.302
233 HA ILE 34 HA ILE 34 6.159 9.731 2.918
234 HB ILE 34 HB ILE 34 6.148 7.921 4.513
235 HG12 ILE 34 1HG1 ILE 34 3.474 6.950 3.613
236 HG13 ILE 34 2HG1 ILE 34 4.894 6.415 2.721
237 HG21 ILE 34 1HG2 ILE 34 4.907 9.316 5.718
238 HG22 ILE 34 2HG2 ILE 34 4.027 9.856 4.289
239 HG23 ILE 34 3HG2 ILE 34 3.485 8.428 5.171
240 HD11 ILE 34 3HD1 ILE 34 5.633 5.116 4.414
241 HD12 ILE 34 1HD1 ILE 34 5.003 6.189 5.664
242 HD13 ILE 34 2HD1 ILE 34 3.914 5.096 4.808
243 H HIS 35 H HIS 35 4.885 7.563 0.604
244 HA HIS 35 HA HIS 35 7.359 6.031 0.398
245 HB2 HIS 35 1HB HIS 35 4.654 5.801 -0.903
246 HB3 HIS 35 2HB HIS 35 6.041 4.897 -1.504
247 HD1 HIS 35 HD1 HIS 35 7.321 3.882 1.018
248 HD2 HIS 35 HD2 HIS 35 3.203 3.982 0.472
249 HE1 HIS 35 HE1 HIS 35 6.390 2.169 2.607
250 H THR 36 H THR 36 5.709 8.662 -1.118
251 HA THR 36 HA THR 36 7.709 8.679 -3.284
252 HB THR 36 HB THR 36 5.226 8.528 -3.901
253 HG1 THR 36 HG1 THR 36 5.851 9.398 -5.737
254 HG21 THR 36 3HG2 THR 36 3.824 10.325 -3.633
255 HG22 THR 36 1HG2 THR 36 5.148 11.487 -3.555
256 HG23 THR 36 2HG2 THR 36 4.786 10.466 -2.163
257 H GLY 37 H GLY 37 9.194 10.231 -3.216
258 HA2 GLY 37 1HA GLY 37 10.110 12.341 -2.920
259 HA3 GLY 37 2HA GLY 37 8.552 12.898 -2.327
260 H TYR 38 H TYR 38 10.415 10.180 -1.070
261 HA TYR 38 HA TYR 38 10.166 11.116 1.605
262 HB2 TYR 38 1HB TYR 38 11.130 9.108 2.247
263 HB3 TYR 38 2HB TYR 38 10.439 8.683 0.686
264 HD1 TYR 38 HD2 TYR 38 11.910 8.441 -1.293
265 HD2 TYR 38 HD1 TYR 38 13.494 9.100 2.601
266 HE1 TYR 38 HE2 TYR 38 14.119 7.690 -2.071
267 HE2 TYR 38 HE1 TYR 38 15.708 8.352 1.833
268 HH TYR 38 HH TYR 38 16.960 8.144 -0.251
269 H ARG 39 H ARG 39 11.931 11.583 3.069
270 HA ARG 39 HA ARG 39 14.322 12.685 1.761
271 HB2 ARG 39 1HB ARG 39 14.149 14.526 3.585
272 HB3 ARG 39 2HB ARG 39 13.158 14.658 2.138
273 HG2 ARG 39 1HG ARG 39 12.056 13.323 4.568
274 HG3 ARG 39 2HG ARG 39 12.114 15.084 4.476
275 HD2 ARG 39 1HD ARG 39 11.000 13.590 2.160
276 HD3 ARG 39 2HD ARG 39 10.021 13.707 3.622
277 HE ARG 39 HE ARG 39 11.015 16.253 2.892
278 HH11 ARG 39 1HH1 ARG 39 8.653 13.867 1.971
279 HH12 ARG 39 2HH1 ARG 39 7.571 15.021 1.265
280 HH21 ARG 39 1HH2 ARG 39 9.599 17.782 1.965
281 HH22 ARG 39 2HH2 ARG 39 8.111 17.248 1.260
282 HA PRO 40 HA PRO 40 16.563 10.525 4.865
283 HB2 PRO 40 1HB PRO 40 18.822 12.028 4.943
284 HB3 PRO 40 2HB PRO 40 18.437 10.941 3.603
285 HG2 PRO 40 1HG PRO 40 18.073 13.906 3.802
286 HG3 PRO 40 2HG PRO 40 18.683 12.942 2.444
287 HD2 PRO 40 1HD PRO 40 16.143 13.876 2.543
288 HD3 PRO 40 2HD PRO 40 16.566 12.342 1.756
289 H SER 41 H SER 41 16.021 13.974 5.191
290 HA SER 41 HA SER 41 15.435 13.761 7.960
291 HB2 SER 41 1HB SER 41 18.156 14.696 7.155
292 HB3 SER 41 2HB SER 41 17.360 15.500 8.507
293 HG SER 41 HG SER 41 17.655 13.784 9.693
294 H GLY 42 H GLY 42 13.935 15.248 8.344
295 HA2 GLY 42 1HA GLY 42 12.948 17.068 6.569
296 HA3 GLY 42 2HA GLY 42 12.809 17.260 8.311
297 HA PRO 43 HA PRO 43 15.856 20.347 6.184
298 HB2 PRO 43 1HB PRO 43 14.176 22.288 5.302
299 HB3 PRO 43 2HB PRO 43 14.704 20.941 4.287
300 HG2 PRO 43 1HG PRO 43 12.140 21.286 5.794
301 HG3 PRO 43 2HG PRO 43 12.398 20.672 4.150
302 HD2 PRO 43 1HD PRO 43 11.974 19.036 6.266
303 HD3 PRO 43 2HD PRO 43 12.999 18.574 4.893
304 H SER 44 H SER 44 13.283 20.331 8.400
305 HA SER 44 HA SER 44 14.290 22.786 9.681
306 HB2 SER 44 1HB SER 44 11.946 22.987 8.973
307 HB3 SER 44 2HB SER 44 11.537 21.544 9.901
308 HG SER 44 HG SER 44 12.822 23.628 11.238
309 H SER 45 H SER 45 15.945 21.565 10.732
310 HA SER 45 HA SER 45 16.843 20.156 12.311
311 HB2 SER 45 1HB SER 45 15.923 22.197 13.539
312 HB3 SER 45 2HB SER 45 14.571 21.172 14.019
313 HG SER 45 HG SER 45 15.844 20.592 15.583
314 H GLY 46 H GLY 46 15.205 18.691 10.632
315 HA2 GLY 46 1HA GLY 46 13.249 17.163 12.015
316 HA3 GLY 46 2HA GLY 46 14.001 16.737 10.485
Start of MODEL 7
1 H1 GLY 1 H GLY 1 3.328 -25.384 9.982
2 HA2 GLY 1 1HA GLY 1 4.146 -22.663 10.389
3 HA3 GLY 1 2HA GLY 1 3.569 -22.953 8.754
4 H SER 2 H SER 2 2.697 -22.321 11.976
5 HA SER 2 HA SER 2 0.040 -23.324 11.939
6 HB2 SER 2 1HB SER 2 1.496 -21.322 13.649
7 HB3 SER 2 2HB SER 2 -0.237 -21.585 13.842
8 HG SER 2 HG SER 2 1.528 -22.937 15.035
9 H SER 3 H SER 3 -1.852 -21.745 12.282
10 HA SER 3 HA SER 3 -1.693 -19.282 10.777
11 HB2 SER 3 1HB SER 3 -3.134 -19.851 9.002
12 HB3 SER 3 2HB SER 3 -2.029 -21.221 9.111
13 HG SER 3 HG SER 3 -4.707 -21.165 9.414
14 H GLY 4 H GLY 4 -3.848 -18.164 10.719
15 HA2 GLY 4 1HA GLY 4 -5.511 -18.964 13.025
16 HA3 GLY 4 2HA GLY 4 -4.986 -17.301 12.807
17 H SER 5 H SER 5 -7.697 -18.413 12.957
18 HA SER 5 HA SER 5 -8.697 -17.891 10.249
19 HB2 SER 5 1HB SER 5 -9.984 -19.149 12.676
20 HB3 SER 5 2HB SER 5 -10.881 -18.747 11.212
21 HG SER 5 HG SER 5 -8.881 -20.679 11.605
22 H SER 6 H SER 6 -7.730 -15.668 11.549
23 HA SER 6 HA SER 6 -10.184 -14.230 12.321
24 HB2 SER 6 1HB SER 6 -8.689 -14.248 14.195
25 HB3 SER 6 2HB SER 6 -7.319 -13.792 13.182
26 HG SER 6 HG SER 6 -9.550 -12.215 13.923
27 H GLY 7 H GLY 7 -10.865 -12.734 10.941
28 HA2 GLY 7 1HA GLY 7 -9.163 -10.887 9.636
29 HA3 GLY 7 2HA GLY 7 -9.627 -12.157 8.513
30 H SER 8 H SER 8 -10.466 -9.182 9.780
31 HA SER 8 HA SER 8 -13.311 -9.386 9.627
32 HB2 SER 8 1HB SER 8 -12.066 -7.678 10.990
33 HB3 SER 8 2HB SER 8 -11.636 -6.871 9.482
34 HG SER 8 HG SER 8 -13.511 -5.954 9.564
35 H GLY 9 H GLY 9 -10.840 -7.933 7.510
36 HA2 GLY 9 1HA GLY 9 -11.796 -8.757 5.092
37 HA3 GLY 9 2HA GLY 9 -12.758 -7.331 5.452
38 H GLU 10 H GLU 10 -10.946 -7.640 3.260
39 HA GLU 10 HA GLU 10 -8.920 -5.622 3.973
40 HB2 GLU 10 1HB GLU 10 -7.781 -7.643 3.390
41 HB3 GLU 10 2HB GLU 10 -8.787 -7.871 1.966
42 HG2 GLU 10 1HG GLU 10 -7.802 -5.748 1.057
43 HG3 GLU 10 2HG GLU 10 -6.662 -5.793 2.401
44 H LYS 11 H LYS 11 -9.156 -3.709 3.037
45 HA LYS 11 HA LYS 11 -11.218 -3.231 1.124
46 HB2 LYS 11 1HB LYS 11 -8.999 -1.396 2.051
47 HB3 LYS 11 2HB LYS 11 -10.446 -0.905 1.181
48 HG2 LYS 11 1HG LYS 11 -10.795 -2.371 3.737
49 HG3 LYS 11 2HG LYS 11 -10.247 -0.694 3.805
50 HD2 LYS 11 1HD LYS 11 -12.493 -0.326 3.827
51 HD3 LYS 11 2HD LYS 11 -12.250 -0.384 2.080
52 HE2 LYS 11 1HE LYS 11 -13.985 -1.848 2.252
53 HE3 LYS 11 2HE LYS 11 -12.648 -2.973 2.488
54 HZ1 LYS 11 3HZ LYS 11 -14.292 -1.717 4.618
55 HZ2 LYS 11 1HZ LYS 11 -12.944 -2.699 4.899
56 HZ3 LYS 11 2HZ LYS 11 -14.318 -3.343 4.152
57 HA PRO 12 HA PRO 12 -9.074 -3.717 -2.677
58 HB2 PRO 12 1HB PRO 12 -10.293 -1.828 -4.200
59 HB3 PRO 12 2HB PRO 12 -11.086 -3.332 -3.718
60 HG2 PRO 12 1HG PRO 12 -11.329 -0.597 -2.526
61 HG3 PRO 12 2HG PRO 12 -12.600 -1.785 -2.868
62 HD2 PRO 12 1HD PRO 12 -11.578 -1.418 -0.388
63 HD3 PRO 12 2HD PRO 12 -12.156 -2.997 -0.958
64 H TYR 13 H TYR 13 -8.708 -1.002 -0.756
65 HA TYR 13 HA TYR 13 -6.740 0.195 -2.590
66 HB2 TYR 13 1HB TYR 13 -8.065 1.466 -0.187
67 HB3 TYR 13 2HB TYR 13 -6.984 2.261 -1.326
68 HD1 TYR 13 HD1 TYR 13 -7.788 2.072 -3.866
69 HD2 TYR 13 HD2 TYR 13 -10.331 1.782 -0.467
70 HE1 TYR 13 HE1 TYR 13 -9.714 2.702 -5.261
71 HE2 TYR 13 HE2 TYR 13 -12.264 2.410 -1.853
72 HH TYR 13 HH TYR 13 -12.110 3.870 -4.669
73 H LYS 14 H LYS 14 -5.327 -1.609 -1.880
74 HA LYS 14 HA LYS 14 -4.150 -1.139 0.775
75 HB2 LYS 14 1HB LYS 14 -4.944 -3.422 0.408
76 HB3 LYS 14 2HB LYS 14 -3.955 -3.550 -1.041
77 HG2 LYS 14 1HG LYS 14 -1.938 -3.267 0.358
78 HG3 LYS 14 2HG LYS 14 -2.970 -3.261 1.790
79 HD2 LYS 14 1HD LYS 14 -3.514 -5.499 1.566
80 HD3 LYS 14 2HD LYS 14 -3.146 -5.521 -0.160
81 HE2 LYS 14 1HE LYS 14 -0.848 -5.631 0.210
82 HE3 LYS 14 2HE LYS 14 -0.991 -5.041 1.865
83 HZ1 LYS 14 3HZ LYS 14 -2.453 -7.366 1.792
84 HZ2 LYS 14 1HZ LYS 14 -0.926 -7.153 2.491
85 HZ3 LYS 14 2HZ LYS 14 -1.058 -7.714 0.900
86 H CYS 15 H CYS 15 -2.016 -0.645 1.004
87 HA CYS 15 HA CYS 15 -0.664 0.401 -1.308
88 HB2 CYS 15 1HB CYS 15 -0.472 1.634 0.745
89 HB3 CYS 15 2HB CYS 15 0.120 0.215 1.603
90 H SER 16 H SER 16 1.467 -0.197 -1.988
91 HA SER 16 HA SER 16 2.019 -3.058 -1.562
92 HB2 SER 16 1HB SER 16 2.640 -1.276 -3.927
93 HB3 SER 16 2HB SER 16 3.197 -2.942 -3.770
94 HG SER 16 HG SER 16 1.275 -3.623 -4.288
95 H GLU 17 H GLU 17 3.350 0.156 -1.477
96 HA GLU 17 HA GLU 17 6.080 -0.429 -1.405
97 HB2 GLU 17 1HB GLU 17 4.449 1.805 -0.221
98 HB3 GLU 17 2HB GLU 17 6.192 1.729 -0.008
99 HG2 GLU 17 1HG GLU 17 5.105 1.503 -2.761
100 HG3 GLU 17 2HG GLU 17 5.088 3.082 -1.979
101 H CYS 18 H CYS 18 3.769 -0.091 1.279
102 HA CYS 18 HA CYS 18 5.720 -1.447 3.021
103 HB2 CYS 18 1HB CYS 18 4.541 -0.386 4.914
104 HB3 CYS 18 2HB CYS 18 5.197 0.803 3.794
105 H GLY 19 H GLY 19 2.242 -1.161 2.326
106 HA2 GLY 19 1HA GLY 19 1.077 -3.310 1.925
107 HA3 GLY 19 2HA GLY 19 1.934 -3.925 3.330
108 H LYS 20 H LYS 20 0.616 -0.697 3.257
109 HA LYS 20 HA LYS 20 -1.208 -1.447 5.419
110 HB2 LYS 20 1HB LYS 20 0.496 0.535 5.465
111 HB3 LYS 20 2HB LYS 20 -0.730 1.374 4.523
112 HG2 LYS 20 1HG LYS 20 -2.339 1.119 6.285
113 HG3 LYS 20 2HG LYS 20 -1.224 0.109 7.209
114 HD2 LYS 20 1HD LYS 20 0.312 1.996 7.428
115 HD3 LYS 20 2HD LYS 20 -0.783 3.005 6.480
116 HE2 LYS 20 1HE LYS 20 -2.424 2.988 8.168
117 HE3 LYS 20 2HE LYS 20 -1.655 1.645 9.013
118 HZ1 LYS 20 3HZ LYS 20 -1.164 3.597 10.221
119 HZ2 LYS 20 1HZ LYS 20 -0.705 4.446 8.831
120 HZ3 LYS 20 2HZ LYS 20 0.261 3.183 9.408
121 H ALA 21 H ALA 21 -3.373 -1.380 5.238
122 HA ALA 21 HA ALA 21 -4.480 -0.514 2.650
123 HB1 ALA 21 3HB ALA 21 -5.396 -2.614 4.597
124 HB2 ALA 21 1HB ALA 21 -6.414 -2.017 3.286
125 HB3 ALA 21 2HB ALA 21 -4.888 -2.823 2.922
126 H PHE 22 H PHE 22 -6.331 0.756 2.583
127 HA PHE 22 HA PHE 22 -7.172 1.930 5.151
128 HB2 PHE 22 1HB PHE 22 -6.805 3.368 2.514
129 HB3 PHE 22 2HB PHE 22 -7.453 4.091 3.982
130 HD1 PHE 22 HD1 PHE 22 -4.432 2.491 2.552
131 HD2 PHE 22 HD2 PHE 22 -6.032 4.997 5.598
132 HE1 PHE 22 HE1 PHE 22 -2.151 3.080 3.261
133 HE2 PHE 22 HE2 PHE 22 -3.754 5.591 6.311
134 HZ PHE 22 HZ PHE 22 -1.809 4.633 5.143
135 H HIS 23 H HIS 23 -9.306 3.213 4.804
136 HA HIS 23 HA HIS 23 -11.218 1.326 3.739
137 HB2 HIS 23 1HB HIS 23 -11.881 4.014 4.922
138 HB3 HIS 23 2HB HIS 23 -12.872 2.558 4.889
139 HD1 HIS 23 HD1 HIS 23 -11.835 0.516 6.410
140 HD2 HIS 23 HD2 HIS 23 -10.552 4.377 7.253
141 HE1 HIS 23 HE1 HIS 23 -10.868 0.412 8.729
142 H ARG 24 H ARG 24 -10.577 4.803 3.261
143 HA ARG 24 HA ARG 24 -11.950 4.624 0.669
144 HB2 ARG 24 1HB ARG 24 -11.247 7.051 2.329
145 HB3 ARG 24 2HB ARG 24 -12.088 7.086 0.785
146 HG2 ARG 24 1HG ARG 24 -13.920 5.777 1.779
147 HG3 ARG 24 2HG ARG 24 -13.083 5.827 3.332
148 HD2 ARG 24 1HD ARG 24 -14.780 7.539 3.282
149 HD3 ARG 24 2HD ARG 24 -13.187 8.294 3.269
150 HE ARG 24 HE ARG 24 -13.690 9.193 1.234
151 HH11 ARG 24 1HH1 ARG 24 -15.819 6.502 1.821
152 HH12 ARG 24 2HH1 ARG 24 -16.774 6.781 0.402
153 HH21 ARG 24 1HH2 ARG 24 -14.940 9.571 -0.636
154 HH22 ARG 24 2HH2 ARG 24 -16.273 8.526 -0.995
155 H HIS 25 H HIS 25 -10.924 5.101 -1.212
156 HA HIS 25 HA HIS 25 -8.256 4.697 -1.569
157 HB2 HIS 25 1HB HIS 25 -9.801 4.767 -3.440
158 HB3 HIS 25 2HB HIS 25 -10.066 6.491 -3.198
159 HD1 HIS 25 HD1 HIS 25 -8.318 8.098 -4.137
160 HD2 HIS 25 HD2 HIS 25 -7.324 4.094 -4.633
161 HE1 HIS 25 HE1 HIS 25 -6.363 8.082 -5.719
162 H THR 26 H THR 26 -9.774 7.925 -1.467
163 HA THR 26 HA THR 26 -7.686 9.592 -1.672
164 HB THR 26 HB THR 26 -9.728 9.891 0.536
165 HG1 THR 26 HG1 THR 26 -10.820 9.547 -1.398
166 HG21 THR 26 3HG2 THR 26 -8.878 12.251 -0.958
167 HG22 THR 26 1HG2 THR 26 -7.564 11.478 -0.072
168 HG23 THR 26 2HG2 THR 26 -9.015 12.003 0.783
169 H HIS 27 H HIS 27 -8.608 8.027 1.395
170 HA HIS 27 HA HIS 27 -6.593 9.028 3.003
171 HB2 HIS 27 1HB HIS 27 -8.079 6.412 3.043
172 HB3 HIS 27 2HB HIS 27 -6.862 6.791 4.257
173 HD1 HIS 27 HD1 HIS 27 -8.773 6.729 6.055
174 HD2 HIS 27 HD2 HIS 27 -9.143 9.728 3.204
175 HE1 HIS 27 HE1 HIS 27 -10.482 8.327 6.977
176 H LEU 28 H LEU 28 -6.552 6.068 1.033
177 HA LEU 28 HA LEU 28 -3.989 5.200 1.708
178 HB2 LEU 28 1HB LEU 28 -5.417 3.713 0.556
179 HB3 LEU 28 2HB LEU 28 -5.650 4.849 -0.771
180 HG LEU 28 HG LEU 28 -3.174 4.509 -1.279
181 HD11 LEU 28 1HD1 LEU 28 -3.640 2.313 0.713
182 HD12 LEU 28 2HD1 LEU 28 -2.339 3.502 0.666
183 HD13 LEU 28 3HD1 LEU 28 -2.392 2.206 -0.528
184 HD21 LEU 28 3HD2 LEU 28 -3.624 2.641 -2.662
185 HD22 LEU 28 1HD2 LEU 28 -5.139 3.533 -2.523
186 HD23 LEU 28 2HD2 LEU 28 -4.895 2.059 -1.586
187 H ASN 29 H ASN 29 -5.018 7.172 -1.076
188 HA ASN 29 HA ASN 29 -2.605 7.576 -2.309
189 HB2 ASN 29 1HB ASN 29 -4.971 8.454 -2.917
190 HB3 ASN 29 2HB ASN 29 -4.523 9.866 -1.965
191 HD21 ASN 29 1HD2 ASN 29 -4.977 9.283 -4.915
192 HD22 ASN 29 2HD2 ASN 29 -3.605 9.993 -5.689
193 H GLU 30 H GLU 30 -4.001 9.678 0.214
194 HA GLU 30 HA GLU 30 -1.878 11.429 0.498
195 HB2 GLU 30 1HB GLU 30 -3.874 10.420 2.521
196 HB3 GLU 30 2HB GLU 30 -2.712 11.688 2.886
197 HG2 GLU 30 1HG GLU 30 -3.652 13.111 1.196
198 HG3 GLU 30 2HG GLU 30 -4.731 11.824 0.660
199 H HIS 31 H HIS 31 -2.310 8.211 1.834
200 HA HIS 31 HA HIS 31 -0.117 8.307 3.635
201 HB2 HIS 31 1HB HIS 31 -1.559 6.599 4.187
202 HB3 HIS 31 2HB HIS 31 -1.860 6.165 2.507
203 HD1 HIS 31 HD1 HIS 31 0.283 5.366 5.405
204 HD2 HIS 31 HD2 HIS 31 0.144 4.489 1.347
205 HE1 HIS 31 HE1 HIS 31 1.846 3.422 5.083
206 H ARG 32 H ARG 32 -0.491 6.975 0.360
207 HA ARG 32 HA ARG 32 1.919 5.805 -0.071
208 HB2 ARG 32 1HB ARG 32 0.397 7.599 -1.969
209 HB3 ARG 32 2HB ARG 32 1.722 6.547 -2.450
210 HG2 ARG 32 1HG ARG 32 0.367 4.628 -1.522
211 HG3 ARG 32 2HG ARG 32 -0.981 5.760 -1.408
212 HD2 ARG 32 1HD ARG 32 -0.303 6.237 -3.926
213 HD3 ARG 32 2HD ARG 32 0.337 4.598 -3.804
214 HE ARG 32 HE ARG 32 -2.132 4.273 -2.846
215 HH11 ARG 32 1HH1 ARG 32 -0.975 5.935 -5.678
216 HH12 ARG 32 2HH1 ARG 32 -2.415 5.644 -6.597
217 HH21 ARG 32 1HH2 ARG 32 -4.033 3.883 -4.046
218 HH22 ARG 32 2HH2 ARG 32 -4.154 4.477 -5.667
219 H ARG 33 H ARG 33 1.335 9.155 0.483
220 HA ARG 33 HA ARG 33 3.466 10.408 -0.728
221 HB2 ARG 33 1HB ARG 33 2.124 10.921 1.920
222 HB3 ARG 33 2HB ARG 33 3.393 11.968 1.300
223 HG2 ARG 33 1HG ARG 33 1.860 12.025 -0.831
224 HG3 ARG 33 2HG ARG 33 0.610 11.580 0.333
225 HD2 ARG 33 1HD ARG 33 1.096 13.529 1.666
226 HD3 ARG 33 2HD ARG 33 2.466 13.937 0.634
227 HE ARG 33 HE ARG 33 -0.066 13.794 -0.739
228 HH11 ARG 33 1HH1 ARG 33 2.160 15.814 1.017
229 HH12 ARG 33 2HH1 ARG 33 1.562 17.290 0.335
230 HH21 ARG 33 1HH2 ARG 33 -0.861 15.731 -1.645
231 HH22 ARG 33 2HH2 ARG 33 -0.157 17.242 -1.179
232 H ILE 34 H ILE 34 3.421 8.837 2.463
233 HA ILE 34 HA ILE 34 5.937 9.356 3.371
234 HB ILE 34 HB ILE 34 5.871 7.316 4.629
235 HG12 ILE 34 1HG1 ILE 34 3.529 6.359 2.997
236 HG13 ILE 34 2HG1 ILE 34 5.183 5.946 2.560
237 HG21 ILE 34 1HG2 ILE 34 2.967 7.947 4.422
238 HG22 ILE 34 2HG2 ILE 34 3.975 7.728 5.852
239 HG23 ILE 34 3HG2 ILE 34 4.088 9.217 4.914
240 HD11 ILE 34 3HD1 ILE 34 5.219 4.315 4.049
241 HD12 ILE 34 1HD1 ILE 34 4.735 5.414 5.340
242 HD13 ILE 34 2HD1 ILE 34 3.509 4.619 4.353
243 H HIS 35 H HIS 35 5.072 7.450 0.630
244 HA HIS 35 HA HIS 35 7.763 6.314 0.430
245 HB2 HIS 35 1HB HIS 35 5.378 5.812 -1.358
246 HB3 HIS 35 2HB HIS 35 6.878 4.891 -1.312
247 HD1 HIS 35 HD1 HIS 35 7.284 4.010 1.412
248 HD2 HIS 35 HD2 HIS 35 3.441 4.422 -0.113
249 HE1 HIS 35 HE1 HIS 35 5.825 2.567 2.866
250 H THR 36 H THR 36 5.708 8.735 -0.948
251 HA THR 36 HA THR 36 7.785 9.339 -2.952
252 HB THR 36 HB THR 36 5.791 8.719 -4.127
253 HG1 THR 36 HG1 THR 36 6.069 11.556 -4.020
254 HG21 THR 36 3HG2 THR 36 3.632 9.584 -3.712
255 HG22 THR 36 1HG2 THR 36 4.256 10.851 -2.657
256 HG23 THR 36 2HG2 THR 36 4.282 9.169 -2.127
257 H GLY 37 H GLY 37 8.782 10.542 -1.131
258 HA2 GLY 37 1HA GLY 37 7.416 13.079 -0.537
259 HA3 GLY 37 2HA GLY 37 8.748 12.398 0.385
260 H TYR 38 H TYR 38 10.593 11.844 -1.553
261 HA TYR 38 HA TYR 38 10.990 14.270 -3.116
262 HB2 TYR 38 1HB TYR 38 12.008 14.842 -0.983
263 HB3 TYR 38 2HB TYR 38 12.934 13.345 -0.991
264 HD1 TYR 38 HD2 TYR 38 14.812 13.058 -2.567
265 HD2 TYR 38 HD1 TYR 38 12.711 16.745 -2.258
266 HE1 TYR 38 HE2 TYR 38 16.652 14.198 -3.735
267 HE2 TYR 38 HE1 TYR 38 14.544 17.895 -3.427
268 HH TYR 38 HH TYR 38 17.437 16.126 -4.494
269 H ARG 39 H ARG 39 11.925 13.849 -5.018
270 HA ARG 39 HA ARG 39 13.460 11.359 -5.315
271 HB2 ARG 39 1HB ARG 39 11.318 12.369 -7.196
272 HB3 ARG 39 2HB ARG 39 12.390 11.015 -7.528
273 HG2 ARG 39 1HG ARG 39 11.468 9.903 -5.481
274 HG3 ARG 39 2HG ARG 39 10.273 11.199 -5.402
275 HD2 ARG 39 1HD ARG 39 9.621 10.600 -7.753
276 HD3 ARG 39 2HD ARG 39 10.662 9.185 -7.607
277 HE ARG 39 HE ARG 39 9.022 9.004 -5.452
278 HH11 ARG 39 1HH1 ARG 39 8.495 9.360 -8.875
279 HH12 ARG 39 2HH1 ARG 39 6.985 8.512 -8.863
280 HH21 ARG 39 1HH2 ARG 39 7.034 7.885 -5.423
281 HH22 ARG 39 2HH2 ARG 39 6.154 7.674 -6.899
282 HA PRO 40 HA PRO 40 16.446 13.844 -7.366
283 HB2 PRO 40 1HB PRO 40 17.581 11.994 -8.999
284 HB3 PRO 40 2HB PRO 40 17.843 12.023 -7.251
285 HG2 PRO 40 1HG PRO 40 15.975 10.323 -8.858
286 HG3 PRO 40 2HG PRO 40 17.021 9.862 -7.502
287 HD2 PRO 40 1HD PRO 40 14.367 10.315 -7.208
288 HD3 PRO 40 2HD PRO 40 15.544 10.668 -5.926
289 H SER 41 H SER 41 17.045 14.736 -9.423
290 HA SER 41 HA SER 41 14.812 15.047 -11.189
291 HB2 SER 41 1HB SER 41 16.283 16.939 -10.713
292 HB3 SER 41 2HB SER 41 17.655 16.071 -11.403
293 HG SER 41 HG SER 41 15.391 17.133 -12.709
294 H GLY 42 H GLY 42 18.182 14.077 -11.877
295 HA2 GLY 42 1HA GLY 42 18.181 11.736 -12.982
296 HA3 GLY 42 2HA GLY 42 17.176 12.544 -14.175
297 HA PRO 43 HA PRO 43 21.912 13.237 -14.754
298 HB2 PRO 43 1HB PRO 43 22.598 11.070 -16.238
299 HB3 PRO 43 2HB PRO 43 22.729 11.108 -14.475
300 HG2 PRO 43 1HG PRO 43 20.582 9.919 -16.190
301 HG3 PRO 43 2HG PRO 43 21.354 9.251 -14.740
302 HD2 PRO 43 1HD PRO 43 18.920 10.437 -14.681
303 HD3 PRO 43 2HD PRO 43 20.051 10.510 -13.314
304 H SER 44 H SER 44 19.190 12.315 -16.650
305 HA SER 44 HA SER 44 20.394 13.274 -19.132
306 HB2 SER 44 1HB SER 44 19.036 11.196 -19.167
307 HB3 SER 44 2HB SER 44 17.631 12.129 -18.651
308 HG SER 44 HG SER 44 19.110 12.515 -21.045
309 H SER 45 H SER 45 20.113 15.272 -19.862
310 HA SER 45 HA SER 45 19.265 17.362 -20.193
311 HB2 SER 45 1HB SER 45 17.061 15.942 -20.304
312 HB3 SER 45 2HB SER 45 16.740 16.669 -18.730
313 HG SER 45 HG SER 45 17.054 18.728 -19.762
314 H GLY 46 H GLY 46 20.940 16.991 -18.069
315 HA2 GLY 46 1HA GLY 46 21.695 18.188 -16.252
316 HA3 GLY 46 2HA GLY 46 20.291 19.230 -16.427
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -0.827 -31.443 -2.400
2 HA2 GLY 1 1HA GLY 1 -3.233 -31.986 -1.029
3 HA3 GLY 1 2HA GLY 1 -2.073 -31.299 0.099
4 H SER 2 H SER 2 -4.407 -29.980 -0.381
5 HA SER 2 HA SER 2 -3.504 -27.424 -1.168
6 HB2 SER 2 1HB SER 2 -5.045 -27.151 -3.151
7 HB3 SER 2 2HB SER 2 -3.647 -28.189 -3.436
8 HG SER 2 HG SER 2 -6.267 -28.786 -3.604
9 H SER 3 H SER 3 -4.577 -26.158 0.179
10 HA SER 3 HA SER 3 -7.424 -26.724 0.685
11 HB2 SER 3 1HB SER 3 -6.083 -27.340 2.649
12 HB3 SER 3 2HB SER 3 -5.382 -25.722 2.686
13 HG SER 3 HG SER 3 -7.787 -25.117 2.767
14 H GLY 4 H GLY 4 -8.764 -24.907 1.114
15 HA2 GLY 4 1HA GLY 4 -7.991 -22.571 -0.387
16 HA3 GLY 4 2HA GLY 4 -9.545 -22.851 0.384
17 H SER 5 H SER 5 -9.641 -20.762 1.226
18 HA SER 5 HA SER 5 -8.131 -20.416 3.685
19 HB2 SER 5 1HB SER 5 -6.786 -19.292 1.893
20 HB3 SER 5 2HB SER 5 -8.160 -18.229 1.593
21 HG SER 5 HG SER 5 -7.080 -18.491 4.181
22 H SER 6 H SER 6 -8.957 -18.519 4.948
23 HA SER 6 HA SER 6 -11.840 -18.165 4.449
24 HB2 SER 6 1HB SER 6 -12.222 -18.143 6.802
25 HB3 SER 6 2HB SER 6 -11.160 -19.516 6.492
26 HG SER 6 HG SER 6 -9.421 -17.880 6.972
27 H GLY 7 H GLY 7 -12.723 -16.154 5.590
28 HA2 GLY 7 1HA GLY 7 -12.300 -13.905 6.345
29 HA3 GLY 7 2HA GLY 7 -10.782 -13.940 5.459
30 H SER 8 H SER 8 -12.695 -11.879 5.253
31 HA SER 8 HA SER 8 -14.007 -12.317 2.678
32 HB2 SER 8 1HB SER 8 -14.224 -10.177 4.785
33 HB3 SER 8 2HB SER 8 -14.889 -9.939 3.169
34 HG SER 8 HG SER 8 -16.453 -11.280 3.617
35 H GLY 9 H GLY 9 -13.778 -10.744 0.955
36 HA2 GLY 9 1HA GLY 9 -11.026 -9.701 0.845
37 HA3 GLY 9 2HA GLY 9 -12.005 -10.133 -0.549
38 H GLU 10 H GLU 10 -12.806 -8.119 2.264
39 HA GLU 10 HA GLU 10 -13.831 -6.067 0.499
40 HB2 GLU 10 1HB GLU 10 -14.939 -6.794 2.661
41 HB3 GLU 10 2HB GLU 10 -13.641 -5.965 3.508
42 HG2 GLU 10 1HG GLU 10 -15.634 -4.583 3.363
43 HG3 GLU 10 2HG GLU 10 -14.287 -3.861 2.485
44 H LYS 11 H LYS 11 -11.136 -6.350 0.092
45 HA LYS 11 HA LYS 11 -10.093 -3.828 1.196
46 HB2 LYS 11 1HB LYS 11 -8.541 -6.382 0.736
47 HB3 LYS 11 2HB LYS 11 -7.826 -4.838 1.183
48 HG2 LYS 11 1HG LYS 11 -8.810 -4.882 3.319
49 HG3 LYS 11 2HG LYS 11 -9.911 -6.187 2.870
50 HD2 LYS 11 1HD LYS 11 -8.016 -7.717 2.659
51 HD3 LYS 11 2HD LYS 11 -6.908 -6.412 3.089
52 HE2 LYS 11 1HE LYS 11 -9.155 -7.041 4.937
53 HE3 LYS 11 2HE LYS 11 -7.775 -8.137 4.889
54 HZ1 LYS 11 3HZ LYS 11 -6.317 -6.351 5.457
55 HZ2 LYS 11 1HZ LYS 11 -7.584 -6.364 6.578
56 HZ3 LYS 11 2HZ LYS 11 -7.561 -5.212 5.340
57 HA PRO 12 HA PRO 12 -10.099 -3.616 -3.411
58 HB2 PRO 12 1HB PRO 12 -10.831 -1.004 -3.502
59 HB3 PRO 12 2HB PRO 12 -11.999 -2.324 -3.371
60 HG2 PRO 12 1HG PRO 12 -10.902 -0.545 -1.228
61 HG3 PRO 12 2HG PRO 12 -12.570 -1.089 -1.486
62 HD2 PRO 12 1HD PRO 12 -10.936 -2.223 0.352
63 HD3 PRO 12 2HD PRO 12 -12.184 -3.143 -0.513
64 H TYR 13 H TYR 13 -8.894 -1.236 -1.062
65 HA TYR 13 HA TYR 13 -6.599 -0.746 -2.842
66 HB2 TYR 13 1HB TYR 13 -7.272 1.098 -0.588
67 HB3 TYR 13 2HB TYR 13 -6.500 1.452 -2.129
68 HD1 TYR 13 HD1 TYR 13 -7.899 1.582 -4.199
69 HD2 TYR 13 HD2 TYR 13 -9.621 1.284 -0.320
70 HE1 TYR 13 HE1 TYR 13 -10.047 2.372 -5.099
71 HE2 TYR 13 HE2 TYR 13 -11.775 2.072 -1.209
72 HH TYR 13 HH TYR 13 -12.237 2.645 -4.665
73 H LYS 14 H LYS 14 -4.608 -1.232 -2.153
74 HA LYS 14 HA LYS 14 -4.011 -1.474 0.671
75 HB2 LYS 14 1HB LYS 14 -4.923 -3.694 0.103
76 HB3 LYS 14 2HB LYS 14 -3.727 -3.852 -1.177
77 HG2 LYS 14 1HG LYS 14 -2.758 -3.321 1.578
78 HG3 LYS 14 2HG LYS 14 -3.376 -4.932 1.203
79 HD2 LYS 14 1HD LYS 14 -1.812 -5.045 -0.710
80 HD3 LYS 14 2HD LYS 14 -1.159 -3.474 -0.237
81 HE2 LYS 14 1HE LYS 14 0.322 -5.047 0.679
82 HE3 LYS 14 2HE LYS 14 -0.689 -4.536 2.030
83 HZ1 LYS 14 3HZ LYS 14 -2.078 -6.618 1.142
84 HZ2 LYS 14 1HZ LYS 14 -0.876 -6.744 2.327
85 HZ3 LYS 14 2HZ LYS 14 -0.519 -7.120 0.717
86 H CYS 15 H CYS 15 -2.118 -0.516 0.951
87 HA CYS 15 HA CYS 15 -0.385 0.085 -1.235
88 HB2 CYS 15 1HB CYS 15 -0.656 1.602 0.689
89 HB3 CYS 15 2HB CYS 15 0.079 0.395 1.739
90 H SER 16 H SER 16 0.768 -1.482 -2.165
91 HA SER 16 HA SER 16 1.659 -3.812 -0.790
92 HB2 SER 16 1HB SER 16 2.641 -4.471 -2.869
93 HB3 SER 16 2HB SER 16 1.129 -3.654 -3.262
94 HG SER 16 HG SER 16 3.610 -3.038 -4.038
95 H GLU 17 H GLU 17 3.162 -0.775 -1.736
96 HA GLU 17 HA GLU 17 5.817 -1.218 -1.470
97 HB2 GLU 17 1HB GLU 17 4.221 1.105 -0.385
98 HB3 GLU 17 2HB GLU 17 5.977 1.089 -0.465
99 HG2 GLU 17 1HG GLU 17 6.010 1.201 -2.768
100 HG3 GLU 17 2HG GLU 17 4.374 0.563 -2.925
101 H CYS 18 H CYS 18 3.752 -0.308 1.296
102 HA CYS 18 HA CYS 18 5.745 -1.519 3.084
103 HB2 CYS 18 1HB CYS 18 4.680 -0.196 4.871
104 HB3 CYS 18 2HB CYS 18 5.248 0.824 3.553
105 H GLY 19 H GLY 19 2.309 -1.491 2.284
106 HA2 GLY 19 1HA GLY 19 1.129 -3.621 2.338
107 HA3 GLY 19 2HA GLY 19 2.042 -4.019 3.786
108 H LYS 20 H LYS 20 0.476 -0.937 3.088
109 HA LYS 20 HA LYS 20 -1.306 -1.424 5.384
110 HB2 LYS 20 1HB LYS 20 0.540 0.477 5.340
111 HB3 LYS 20 2HB LYS 20 -0.698 1.341 4.438
112 HG2 LYS 20 1HG LYS 20 -2.169 1.366 6.239
113 HG3 LYS 20 2HG LYS 20 -1.325 0.055 7.067
114 HD2 LYS 20 1HD LYS 20 0.666 1.759 7.081
115 HD3 LYS 20 2HD LYS 20 -0.620 2.950 6.873
116 HE2 LYS 20 1HE LYS 20 -0.317 2.798 9.192
117 HE3 LYS 20 2HE LYS 20 -1.750 1.825 8.864
118 HZ1 LYS 20 3HZ LYS 20 -0.490 0.513 10.281
119 HZ2 LYS 20 1HZ LYS 20 0.976 0.919 9.541
120 HZ3 LYS 20 2HZ LYS 20 -0.109 -0.113 8.756
121 H ALA 21 H ALA 21 -3.408 -1.520 4.967
122 HA ALA 21 HA ALA 21 -4.374 -0.497 2.385
123 HB1 ALA 21 3HB ALA 21 -4.626 -2.988 3.283
124 HB2 ALA 21 1HB ALA 21 -6.070 -2.293 4.020
125 HB3 ALA 21 2HB ALA 21 -5.849 -2.219 2.272
126 H PHE 22 H PHE 22 -6.560 0.423 2.343
127 HA PHE 22 HA PHE 22 -7.558 1.499 4.854
128 HB2 PHE 22 1HB PHE 22 -6.865 3.355 2.571
129 HB3 PHE 22 2HB PHE 22 -7.482 3.803 4.158
130 HD1 PHE 22 HD1 PHE 22 -4.582 2.167 2.505
131 HD2 PHE 22 HD2 PHE 22 -6.011 4.374 5.852
132 HE1 PHE 22 HE1 PHE 22 -2.275 2.411 3.326
133 HE2 PHE 22 HE2 PHE 22 -3.707 4.623 6.677
134 HZ PHE 22 HZ PHE 22 -1.835 3.641 5.413
135 H HIS 23 H HIS 23 -9.697 2.346 4.706
136 HA HIS 23 HA HIS 23 -11.263 1.044 2.659
137 HB2 HIS 23 1HB HIS 23 -12.030 1.024 4.986
138 HB3 HIS 23 2HB HIS 23 -12.112 2.783 4.986
139 HD1 HIS 23 HD1 HIS 23 -14.065 -0.206 4.218
140 HD2 HIS 23 HD2 HIS 23 -14.178 3.826 3.222
141 HE1 HIS 23 HE1 HIS 23 -16.373 0.196 3.304
142 H ARG 24 H ARG 24 -10.238 4.286 3.463
143 HA ARG 24 HA ARG 24 -11.916 5.406 1.341
144 HB2 ARG 24 1HB ARG 24 -10.714 7.575 2.317
145 HB3 ARG 24 2HB ARG 24 -12.139 6.874 3.073
146 HG2 ARG 24 1HG ARG 24 -9.449 5.947 3.945
147 HG3 ARG 24 2HG ARG 24 -10.036 7.519 4.490
148 HD2 ARG 24 1HD ARG 24 -11.526 4.916 4.803
149 HD3 ARG 24 2HD ARG 24 -10.554 5.676 6.062
150 HE ARG 24 HE ARG 24 -12.651 7.330 4.951
151 HH11 ARG 24 1HH1 ARG 24 -11.722 5.081 7.440
152 HH12 ARG 24 2HH1 ARG 24 -12.966 5.580 8.538
153 HH21 ARG 24 1HH2 ARG 24 -14.293 7.996 6.387
154 HH22 ARG 24 2HH2 ARG 24 -14.429 7.238 7.937
155 H HIS 25 H HIS 25 -10.929 4.914 -0.562
156 HA HIS 25 HA HIS 25 -8.301 4.650 -1.193
157 HB2 HIS 25 1HB HIS 25 -10.480 4.555 -2.674
158 HB3 HIS 25 2HB HIS 25 -10.010 6.198 -3.099
159 HD1 HIS 25 HD1 HIS 25 -9.927 4.606 -5.463
160 HD2 HIS 25 HD2 HIS 25 -6.778 4.428 -2.759
161 HE1 HIS 25 HE1 HIS 25 -7.972 3.710 -6.766
162 H THR 26 H THR 26 -10.022 7.629 -0.593
163 HA THR 26 HA THR 26 -8.157 9.438 -1.668
164 HB THR 26 HB THR 26 -9.161 11.077 -0.013
165 HG1 THR 26 HG1 THR 26 -10.917 10.343 1.194
166 HG21 THR 26 3HG2 THR 26 -10.261 9.869 -2.319
167 HG22 THR 26 1HG2 THR 26 -10.592 11.475 -1.672
168 HG23 THR 26 2HG2 THR 26 -11.584 10.103 -1.177
169 H HIS 27 H HIS 27 -8.566 8.265 1.672
170 HA HIS 27 HA HIS 27 -6.434 9.652 2.814
171 HB2 HIS 27 1HB HIS 27 -7.905 7.143 3.517
172 HB3 HIS 27 2HB HIS 27 -6.445 7.557 4.412
173 HD1 HIS 27 HD1 HIS 27 -7.975 7.855 6.532
174 HD2 HIS 27 HD2 HIS 27 -8.691 10.548 3.450
175 HE1 HIS 27 HE1 HIS 27 -9.357 9.693 7.551
176 H LEU 28 H LEU 28 -6.507 6.370 1.443
177 HA LEU 28 HA LEU 28 -3.943 5.550 1.937
178 HB2 LEU 28 1HB LEU 28 -5.361 4.000 0.925
179 HB3 LEU 28 2HB LEU 28 -5.770 5.098 -0.392
180 HG LEU 28 HG LEU 28 -3.287 4.812 -1.077
181 HD11 LEU 28 1HD1 LEU 28 -2.752 3.605 1.078
182 HD12 LEU 28 2HD1 LEU 28 -2.200 2.828 -0.406
183 HD13 LEU 28 3HD1 LEU 28 -3.639 2.229 0.420
184 HD21 LEU 28 3HD2 LEU 28 -5.659 3.181 -1.555
185 HD22 LEU 28 1HD2 LEU 28 -4.146 2.348 -1.913
186 HD23 LEU 28 2HD2 LEU 28 -4.514 3.884 -2.699
187 H ASN 29 H ASN 29 -5.002 7.289 -0.995
188 HA ASN 29 HA ASN 29 -2.592 7.604 -2.254
189 HB2 ASN 29 1HB ASN 29 -4.773 8.336 -3.175
190 HB3 ASN 29 2HB ASN 29 -4.762 9.705 -2.067
191 HD21 ASN 29 1HD2 ASN 29 -4.793 11.203 -3.721
192 HD22 ASN 29 2HD2 ASN 29 -3.420 11.504 -4.726
193 H GLU 30 H GLU 30 -3.922 9.587 0.360
194 HA GLU 30 HA GLU 30 -1.838 11.496 0.396
195 HB2 GLU 30 1HB GLU 30 -3.906 10.649 2.408
196 HB3 GLU 30 2HB GLU 30 -2.683 11.847 2.810
197 HG2 GLU 30 1HG GLU 30 -4.301 12.217 0.341
198 HG3 GLU 30 2HG GLU 30 -5.033 12.561 1.908
199 H HIS 31 H HIS 31 -2.133 8.296 1.683
200 HA HIS 31 HA HIS 31 0.013 8.546 3.578
201 HB2 HIS 31 1HB HIS 31 -1.413 6.867 4.244
202 HB3 HIS 31 2HB HIS 31 -1.731 6.335 2.595
203 HD1 HIS 31 HD1 HIS 31 0.614 5.848 5.453
204 HD2 HIS 31 HD2 HIS 31 0.096 4.461 1.570
205 HE1 HIS 31 HE1 HIS 31 2.136 3.857 5.241
206 H ARG 32 H ARG 32 -0.363 6.816 0.482
207 HA ARG 32 HA ARG 32 2.071 5.724 0.113
208 HB2 ARG 32 1HB ARG 32 0.462 7.267 -1.927
209 HB3 ARG 32 2HB ARG 32 1.824 6.229 -2.330
210 HG2 ARG 32 1HG ARG 32 0.681 4.289 -1.726
211 HG3 ARG 32 2HG ARG 32 -0.526 5.182 -0.798
212 HD2 ARG 32 1HD ARG 32 -1.639 5.905 -2.705
213 HD3 ARG 32 2HD ARG 32 -0.241 5.627 -3.743
214 HE ARG 32 HE ARG 32 -1.220 3.203 -2.609
215 HH11 ARG 32 1HH1 ARG 32 -1.780 5.540 -5.128
216 HH12 ARG 32 2HH1 ARG 32 -2.579 4.414 -6.174
217 HH21 ARG 32 1HH2 ARG 32 -2.272 1.712 -3.977
218 HH22 ARG 32 2HH2 ARG 32 -2.860 2.237 -5.518
219 H ARG 33 H ARG 33 1.373 9.111 0.247
220 HA ARG 33 HA ARG 33 3.480 10.266 -1.087
221 HB2 ARG 33 1HB ARG 33 2.215 11.094 1.529
222 HB3 ARG 33 2HB ARG 33 3.322 12.106 0.611
223 HG2 ARG 33 1HG ARG 33 1.745 12.007 -1.301
224 HG3 ARG 33 2HG ARG 33 0.618 11.125 -0.270
225 HD2 ARG 33 1HD ARG 33 1.726 13.843 0.405
226 HD3 ARG 33 2HD ARG 33 0.202 13.595 -0.445
227 HE ARG 33 HE ARG 33 -0.762 12.869 1.528
228 HH11 ARG 33 1HH1 ARG 33 2.670 13.293 1.933
229 HH12 ARG 33 2HH1 ARG 33 2.613 13.171 3.660
230 HH21 ARG 33 1HH2 ARG 33 -0.850 12.706 3.801
231 HH22 ARG 33 2HH2 ARG 33 0.611 12.836 4.722
232 H ILE 34 H ILE 34 3.457 8.958 2.208
233 HA ILE 34 HA ILE 34 5.956 9.703 3.078
234 HB ILE 34 HB ILE 34 5.937 7.813 4.565
235 HG12 ILE 34 1HG1 ILE 34 3.572 6.651 3.114
236 HG13 ILE 34 2HG1 ILE 34 5.216 6.225 2.649
237 HG21 ILE 34 1HG2 ILE 34 3.145 8.844 4.077
238 HG22 ILE 34 2HG2 ILE 34 3.690 8.037 5.546
239 HG23 ILE 34 3HG2 ILE 34 4.380 9.593 5.088
240 HD11 ILE 34 3HD1 ILE 34 5.645 5.205 4.717
241 HD12 ILE 34 1HD1 ILE 34 4.221 5.931 5.462
242 HD13 ILE 34 2HD1 ILE 34 4.033 4.665 4.248
243 H HIS 35 H HIS 35 5.145 7.458 0.590
244 HA HIS 35 HA HIS 35 7.780 6.229 0.571
245 HB2 HIS 35 1HB HIS 35 5.434 5.862 -1.304
246 HB3 HIS 35 2HB HIS 35 6.909 4.899 -1.307
247 HD1 HIS 35 HD1 HIS 35 7.242 4.196 1.599
248 HD2 HIS 35 HD2 HIS 35 3.549 4.203 -0.303
249 HE1 HIS 35 HE1 HIS 35 5.779 2.674 2.966
250 H THR 36 H THR 36 5.941 8.628 -1.190
251 HA THR 36 HA THR 36 8.112 8.946 -3.131
252 HB THR 36 HB THR 36 6.565 10.469 -4.322
253 HG1 THR 36 HG1 THR 36 5.368 10.833 -2.176
254 HG21 THR 36 3HG2 THR 36 6.468 8.285 -5.138
255 HG22 THR 36 1HG2 THR 36 4.780 8.663 -4.796
256 HG23 THR 36 2HG2 THR 36 5.706 7.668 -3.672
257 H GLY 37 H GLY 37 9.594 9.887 -1.609
258 HA2 GLY 37 1HA GLY 37 10.468 12.232 -1.558
259 HA3 GLY 37 2HA GLY 37 8.903 12.669 -0.888
260 H TYR 38 H TYR 38 11.633 10.470 -0.260
261 HA TYR 38 HA TYR 38 11.892 11.425 2.427
262 HB2 TYR 38 1HB TYR 38 11.194 9.550 3.645
263 HB3 TYR 38 2HB TYR 38 9.929 9.748 2.438
264 HD1 TYR 38 HD2 TYR 38 10.138 8.324 0.291
265 HD2 TYR 38 HD1 TYR 38 12.272 7.498 3.878
266 HE1 TYR 38 HE2 TYR 38 10.478 6.004 -0.452
267 HE2 TYR 38 HE1 TYR 38 12.618 5.176 3.145
268 HH TYR 38 HH TYR 38 11.009 3.617 1.153
269 H ARG 39 H ARG 39 13.752 10.578 3.502
270 HA ARG 39 HA ARG 39 15.826 9.794 1.656
271 HB2 ARG 39 1HB ARG 39 15.843 10.408 4.612
272 HB3 ARG 39 2HB ARG 39 17.281 9.941 3.714
273 HG2 ARG 39 1HG ARG 39 15.677 12.217 2.687
274 HG3 ARG 39 2HG ARG 39 16.657 12.468 4.134
275 HD2 ARG 39 1HD ARG 39 18.629 12.201 3.012
276 HD3 ARG 39 2HD ARG 39 17.925 11.116 1.814
277 HE ARG 39 HE ARG 39 16.748 13.430 1.192
278 HH11 ARG 39 1HH1 ARG 39 20.076 12.654 1.858
279 HH12 ARG 39 2HH1 ARG 39 20.708 13.892 0.824
280 HH21 ARG 39 1HH2 ARG 39 17.568 15.064 -0.173
281 HH22 ARG 39 2HH2 ARG 39 19.281 15.262 -0.331
282 HA PRO 40 HA PRO 40 15.681 5.457 2.387
283 HB2 PRO 40 1HB PRO 40 18.239 4.822 1.738
284 HB3 PRO 40 2HB PRO 40 17.021 5.251 0.532
285 HG2 PRO 40 1HG PRO 40 19.173 6.947 1.738
286 HG3 PRO 40 2HG PRO 40 18.650 6.839 0.047
287 HD2 PRO 40 1HD PRO 40 17.873 8.848 1.687
288 HD3 PRO 40 2HD PRO 40 16.837 8.221 0.389
289 H SER 41 H SER 41 15.925 4.157 4.110
290 HA SER 41 HA SER 41 17.943 4.906 6.123
291 HB2 SER 41 1HB SER 41 15.081 4.100 6.388
292 HB3 SER 41 2HB SER 41 16.203 3.613 7.658
293 HG SER 41 HG SER 41 15.029 5.869 7.550
294 H GLY 42 H GLY 42 18.605 3.183 4.045
295 HA2 GLY 42 1HA GLY 42 20.084 1.274 4.446
296 HA3 GLY 42 2HA GLY 42 18.836 0.621 5.497
297 HA PRO 43 HA PRO 43 17.436 0.118 0.861
298 HB2 PRO 43 1HB PRO 43 19.485 0.089 -0.920
299 HB3 PRO 43 2HB PRO 43 18.602 1.560 -0.495
300 HG2 PRO 43 1HG PRO 43 21.244 0.579 0.513
301 HG3 PRO 43 2HG PRO 43 20.768 2.219 0.037
302 HD2 PRO 43 1HD PRO 43 20.894 1.432 2.625
303 HD3 PRO 43 2HD PRO 43 19.722 2.635 2.048
304 H SER 44 H SER 44 18.178 -1.626 -0.916
305 HA SER 44 HA SER 44 18.479 -3.853 -1.283
306 HB2 SER 44 1HB SER 44 20.842 -3.329 0.534
307 HB3 SER 44 2HB SER 44 20.609 -4.820 -0.378
308 HG SER 44 HG SER 44 21.233 -3.834 -2.129
309 H SER 45 H SER 45 16.566 -3.298 0.631
310 HA SER 45 HA SER 45 17.015 -5.267 2.760
311 HB2 SER 45 1HB SER 45 14.951 -3.081 2.440
312 HB3 SER 45 2HB SER 45 14.905 -4.276 3.736
313 HG SER 45 HG SER 45 17.299 -2.908 3.352
314 H GLY 46 H GLY 46 16.631 -7.219 1.798
315 HA2 GLY 46 1HA GLY 46 14.607 -7.764 -0.072
316 HA3 GLY 46 2HA GLY 46 15.419 -8.961 0.926
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -11.419 -28.933 -0.708
2 HA2 GLY 1 1HA GLY 1 -10.702 -26.108 -0.281
3 HA3 GLY 1 2HA GLY 1 -10.097 -27.462 0.661
4 H SER 2 H SER 2 -9.544 -25.403 -1.983
5 HA SER 2 HA SER 2 -7.223 -27.029 -2.794
6 HB2 SER 2 1HB SER 2 -9.181 -26.569 -4.479
7 HB3 SER 2 2HB SER 2 -8.431 -24.979 -4.618
8 HG SER 2 HG SER 2 -7.000 -27.403 -4.937
9 H SER 3 H SER 3 -7.063 -25.298 -0.632
10 HA SER 3 HA SER 3 -6.057 -23.395 0.178
11 HB2 SER 3 1HB SER 3 -4.065 -24.223 -1.948
12 HB3 SER 3 2HB SER 3 -3.718 -23.200 -0.554
13 HG SER 3 HG SER 3 -3.385 -24.973 0.501
14 H GLY 4 H GLY 4 -8.020 -22.681 -1.654
15 HA2 GLY 4 1HA GLY 4 -6.977 -20.858 -3.613
16 HA3 GLY 4 2HA GLY 4 -8.662 -21.040 -3.149
17 H SER 5 H SER 5 -9.531 -19.726 -1.570
18 HA SER 5 HA SER 5 -7.950 -17.996 0.051
19 HB2 SER 5 1HB SER 5 -8.560 -15.864 -0.963
20 HB3 SER 5 2HB SER 5 -7.700 -16.856 -2.140
21 HG SER 5 HG SER 5 -9.389 -16.342 -3.315
22 H SER 6 H SER 6 -9.097 -17.402 1.789
23 HA SER 6 HA SER 6 -11.629 -18.415 2.309
24 HB2 SER 6 1HB SER 6 -10.216 -16.069 3.600
25 HB3 SER 6 2HB SER 6 -11.650 -16.859 4.258
26 HG SER 6 HG SER 6 -10.172 -18.843 3.962
27 H GLY 7 H GLY 7 -13.509 -16.926 3.063
28 HA2 GLY 7 1HA GLY 7 -14.195 -15.266 0.748
29 HA3 GLY 7 2HA GLY 7 -15.327 -15.924 1.921
30 H SER 8 H SER 8 -15.920 -14.715 3.648
31 HA SER 8 HA SER 8 -15.891 -12.020 3.655
32 HB2 SER 8 1HB SER 8 -16.253 -12.100 6.113
33 HB3 SER 8 2HB SER 8 -17.223 -13.290 5.246
34 HG SER 8 HG SER 8 -15.507 -13.718 7.206
35 H GLY 9 H GLY 9 -14.258 -10.639 3.458
36 HA2 GLY 9 1HA GLY 9 -12.487 -9.662 5.030
37 HA3 GLY 9 2HA GLY 9 -11.732 -11.239 4.854
38 H GLU 10 H GLU 10 -12.998 -8.579 2.849
39 HA GLU 10 HA GLU 10 -10.572 -8.775 1.212
40 HB2 GLU 10 1HB GLU 10 -12.711 -9.928 0.228
41 HB3 GLU 10 2HB GLU 10 -13.205 -8.279 -0.126
42 HG2 GLU 10 1HG GLU 10 -12.178 -8.928 -2.081
43 HG3 GLU 10 2HG GLU 10 -10.889 -8.068 -1.242
44 H LYS 11 H LYS 11 -9.736 -6.855 0.586
45 HA LYS 11 HA LYS 11 -11.281 -4.437 1.263
46 HB2 LYS 11 1HB LYS 11 -8.277 -4.771 1.333
47 HB3 LYS 11 2HB LYS 11 -9.176 -3.332 1.796
48 HG2 LYS 11 1HG LYS 11 -10.162 -4.498 3.663
49 HG3 LYS 11 2HG LYS 11 -9.390 -6.005 3.167
50 HD2 LYS 11 1HD LYS 11 -7.750 -3.562 3.732
51 HD3 LYS 11 2HD LYS 11 -8.306 -4.596 5.050
52 HE2 LYS 11 1HE LYS 11 -6.799 -5.636 2.660
53 HE3 LYS 11 2HE LYS 11 -6.005 -5.101 4.140
54 HZ1 LYS 11 3HZ LYS 11 -6.294 -7.446 4.254
55 HZ2 LYS 11 1HZ LYS 11 -7.935 -7.336 3.856
56 HZ3 LYS 11 2HZ LYS 11 -7.385 -6.753 5.345
57 HA PRO 12 HA PRO 12 -10.932 -3.281 -2.975
58 HB2 PRO 12 1HB PRO 12 -11.376 -0.616 -2.709
59 HB3 PRO 12 2HB PRO 12 -12.658 -1.823 -2.558
60 HG2 PRO 12 1HG PRO 12 -11.122 -0.412 -0.410
61 HG3 PRO 12 2HG PRO 12 -12.859 -0.758 -0.500
62 HD2 PRO 12 1HD PRO 12 -11.152 -2.246 0.985
63 HD3 PRO 12 2HD PRO 12 -12.589 -2.936 0.204
64 H TYR 13 H TYR 13 -9.341 -1.026 -0.708
65 HA TYR 13 HA TYR 13 -7.163 -0.718 -2.659
66 HB2 TYR 13 1HB TYR 13 -7.561 1.057 -0.268
67 HB3 TYR 13 2HB TYR 13 -6.729 1.411 -1.778
68 HD1 TYR 13 HD1 TYR 13 -7.978 2.050 -3.768
69 HD2 TYR 13 HD2 TYR 13 -9.974 1.234 -0.100
70 HE1 TYR 13 HE1 TYR 13 -10.014 3.117 -4.645
71 HE2 TYR 13 HE2 TYR 13 -12.015 2.297 -0.967
72 HH TYR 13 HH TYR 13 -12.834 3.640 -2.613
73 H LYS 14 H LYS 14 -5.011 -0.909 -2.015
74 HA LYS 14 HA LYS 14 -4.240 -1.505 0.661
75 HB2 LYS 14 1HB LYS 14 -5.381 -3.648 -0.206
76 HB3 LYS 14 2HB LYS 14 -3.961 -3.832 -1.227
77 HG2 LYS 14 1HG LYS 14 -2.697 -3.509 1.063
78 HG3 LYS 14 2HG LYS 14 -4.230 -4.088 1.718
79 HD2 LYS 14 1HD LYS 14 -4.083 -6.068 0.269
80 HD3 LYS 14 2HD LYS 14 -2.533 -5.491 -0.347
81 HE2 LYS 14 1HE LYS 14 -2.047 -7.101 1.325
82 HE3 LYS 14 2HE LYS 14 -1.702 -5.522 2.027
83 HZ1 LYS 14 3HZ LYS 14 -4.309 -5.958 2.663
84 HZ2 LYS 14 1HZ LYS 14 -2.990 -6.181 3.698
85 HZ3 LYS 14 2HZ LYS 14 -3.617 -7.492 2.834
86 H CYS 15 H CYS 15 -2.197 -0.869 0.880
87 HA CYS 15 HA CYS 15 -0.651 -0.172 -1.444
88 HB2 CYS 15 1HB CYS 15 -0.547 1.324 0.425
89 HB3 CYS 15 2HB CYS 15 -0.098 0.020 1.519
90 H SER 16 H SER 16 1.498 -0.914 -1.881
91 HA SER 16 HA SER 16 1.917 -3.704 -1.038
92 HB2 SER 16 1HB SER 16 1.504 -3.175 -3.507
93 HB3 SER 16 2HB SER 16 3.099 -2.423 -3.502
94 HG SER 16 HG SER 16 2.880 -4.997 -2.452
95 H GLU 17 H GLU 17 3.482 -0.593 -1.555
96 HA GLU 17 HA GLU 17 6.126 -1.204 -1.146
97 HB2 GLU 17 1HB GLU 17 4.552 1.197 -0.211
98 HB3 GLU 17 2HB GLU 17 6.304 1.092 -0.105
99 HG2 GLU 17 1HG GLU 17 4.726 0.881 -2.658
100 HG3 GLU 17 2HG GLU 17 5.506 2.349 -2.071
101 H CYS 18 H CYS 18 3.931 -0.107 1.447
102 HA CYS 18 HA CYS 18 5.693 -1.383 3.406
103 HB2 CYS 18 1HB CYS 18 4.507 -0.065 5.079
104 HB3 CYS 18 2HB CYS 18 5.073 0.976 3.777
105 H GLY 19 H GLY 19 2.336 -1.368 2.301
106 HA2 GLY 19 1HA GLY 19 1.109 -3.442 2.214
107 HA3 GLY 19 2HA GLY 19 1.985 -3.967 3.644
108 H LYS 20 H LYS 20 0.444 -0.831 3.144
109 HA LYS 20 HA LYS 20 -1.276 -1.407 5.458
110 HB2 LYS 20 1HB LYS 20 0.411 0.597 5.333
111 HB3 LYS 20 2HB LYS 20 -0.850 1.350 4.366
112 HG2 LYS 20 1HG LYS 20 -2.371 1.355 6.146
113 HG3 LYS 20 2HG LYS 20 -1.419 0.194 7.074
114 HD2 LYS 20 1HD LYS 20 -0.272 2.863 6.345
115 HD3 LYS 20 2HD LYS 20 -1.353 2.703 7.731
116 HE2 LYS 20 1HE LYS 20 0.750 2.433 8.676
117 HE3 LYS 20 2HE LYS 20 0.210 0.772 8.435
118 HZ1 LYS 20 3HZ LYS 20 2.570 1.755 7.600
119 HZ2 LYS 20 1HZ LYS 20 1.640 1.891 6.194
120 HZ3 LYS 20 2HZ LYS 20 1.816 0.388 6.949
121 H ALA 21 H ALA 21 -3.423 -1.486 5.235
122 HA ALA 21 HA ALA 21 -4.550 -0.838 2.601
123 HB1 ALA 21 3HB ALA 21 -5.713 -2.720 2.772
124 HB2 ALA 21 1HB ALA 21 -4.843 -3.072 4.266
125 HB3 ALA 21 2HB ALA 21 -6.386 -2.219 4.324
126 H PHE 22 H PHE 22 -6.467 0.361 2.413
127 HA PHE 22 HA PHE 22 -7.325 1.811 4.821
128 HB2 PHE 22 1HB PHE 22 -6.769 3.054 2.119
129 HB3 PHE 22 2HB PHE 22 -7.465 3.894 3.501
130 HD1 PHE 22 HD2 PHE 22 -6.094 4.324 5.504
131 HD2 PHE 22 HD1 PHE 22 -4.436 2.645 1.962
132 HE1 PHE 22 HE2 PHE 22 -3.835 4.891 6.297
133 HE2 PHE 22 HE1 PHE 22 -2.174 3.208 2.750
134 HZ PHE 22 HZ PHE 22 -1.871 4.334 4.919
135 H HIS 23 H HIS 23 -9.484 2.506 4.834
136 HA HIS 23 HA HIS 23 -11.265 0.849 3.319
137 HB2 HIS 23 1HB HIS 23 -12.029 3.170 5.092
138 HB3 HIS 23 2HB HIS 23 -13.014 1.776 4.657
139 HD1 HIS 23 HD1 HIS 23 -11.341 -0.566 5.384
140 HD2 HIS 23 HD2 HIS 23 -11.427 2.879 7.703
141 HE1 HIS 23 HE1 HIS 23 -10.599 -1.281 7.677
142 H ARG 24 H ARG 24 -9.996 4.036 3.001
143 HA ARG 24 HA ARG 24 -11.747 4.474 0.677
144 HB2 ARG 24 1HB ARG 24 -10.810 6.635 2.571
145 HB3 ARG 24 2HB ARG 24 -11.864 6.843 1.178
146 HG2 ARG 24 1HG ARG 24 -13.527 5.369 2.302
147 HG3 ARG 24 2HG ARG 24 -12.489 5.376 3.728
148 HD2 ARG 24 1HD ARG 24 -13.616 7.852 2.430
149 HD3 ARG 24 2HD ARG 24 -14.348 7.033 3.809
150 HE ARG 24 HE ARG 24 -11.617 7.691 4.289
151 HH11 ARG 24 1HH1 ARG 24 -14.841 9.001 4.222
152 HH12 ARG 24 2HH1 ARG 24 -14.493 10.261 5.360
153 HH21 ARG 24 1HH2 ARG 24 -11.146 9.345 5.787
154 HH22 ARG 24 2HH2 ARG 24 -12.391 10.456 6.248
155 H HIS 25 H HIS 25 -10.825 5.679 -1.046
156 HA HIS 25 HA HIS 25 -8.104 5.104 -1.537
157 HB2 HIS 25 1HB HIS 25 -9.799 5.320 -3.323
158 HB3 HIS 25 2HB HIS 25 -9.913 7.045 -2.991
159 HD1 HIS 25 HD1 HIS 25 -7.641 8.432 -3.451
160 HD2 HIS 25 HD2 HIS 25 -7.858 4.627 -5.105
161 HE1 HIS 25 HE1 HIS 25 -5.857 8.366 -5.222
162 H THR 26 H THR 26 -9.776 8.175 -0.879
163 HA THR 26 HA THR 26 -7.848 10.029 -1.077
164 HB THR 26 HB THR 26 -9.927 10.783 -0.270
165 HG1 THR 26 HG1 THR 26 -8.487 11.062 2.126
166 HG21 THR 26 3HG2 THR 26 -10.517 8.626 0.861
167 HG22 THR 26 1HG2 THR 26 -10.980 10.070 1.760
168 HG23 THR 26 2HG2 THR 26 -9.553 9.151 2.240
169 H HIS 27 H HIS 27 -8.131 7.718 1.591
170 HA HIS 27 HA HIS 27 -5.981 8.730 3.120
171 HB2 HIS 27 1HB HIS 27 -7.478 6.136 3.049
172 HB3 HIS 27 2HB HIS 27 -6.008 6.262 4.010
173 HD1 HIS 27 HD1 HIS 27 -8.267 5.717 5.716
174 HD2 HIS 27 HD2 HIS 27 -7.497 9.596 4.441
175 HE1 HIS 27 HE1 HIS 27 -9.440 7.211 7.363
176 H LEU 28 H LEU 28 -6.125 5.819 1.059
177 HA LEU 28 HA LEU 28 -3.467 5.107 1.159
178 HB2 LEU 28 1HB LEU 28 -5.115 3.693 0.129
179 HB3 LEU 28 2HB LEU 28 -5.412 4.888 -1.131
180 HG LEU 28 HG LEU 28 -3.056 4.512 -1.911
181 HD11 LEU 28 1HD1 LEU 28 -3.110 2.720 0.408
182 HD12 LEU 28 2HD1 LEU 28 -1.748 3.486 -0.407
183 HD13 LEU 28 3HD1 LEU 28 -2.447 2.006 -1.062
184 HD21 LEU 28 3HD2 LEU 28 -5.385 3.066 -2.393
185 HD22 LEU 28 1HD2 LEU 28 -4.124 1.847 -2.208
186 HD23 LEU 28 2HD2 LEU 28 -3.943 3.127 -3.407
187 H ASN 29 H ASN 29 -5.028 7.326 -1.137
188 HA ASN 29 HA ASN 29 -2.841 7.921 -2.728
189 HB2 ASN 29 1HB ASN 29 -5.121 8.669 -3.242
190 HB3 ASN 29 2HB ASN 29 -5.072 9.781 -1.878
191 HD21 ASN 29 1HD2 ASN 29 -5.616 11.314 -3.618
192 HD22 ASN 29 2HD2 ASN 29 -4.318 12.037 -4.500
193 H GLU 30 H GLU 30 -3.973 9.748 0.121
194 HA GLU 30 HA GLU 30 -1.723 11.469 0.188
195 HB2 GLU 30 1HB GLU 30 -3.620 10.764 2.434
196 HB3 GLU 30 2HB GLU 30 -2.548 12.156 2.381
197 HG2 GLU 30 1HG GLU 30 -4.637 11.727 0.281
198 HG3 GLU 30 2HG GLU 30 -5.022 12.496 1.820
199 H HIS 31 H HIS 31 -2.311 8.282 1.384
200 HA HIS 31 HA HIS 31 -0.368 8.198 3.430
201 HB2 HIS 31 1HB HIS 31 -1.826 6.413 3.560
202 HB3 HIS 31 2HB HIS 31 -1.841 6.161 1.817
203 HD1 HIS 31 HD1 HIS 31 0.447 5.608 4.792
204 HD2 HIS 31 HD2 HIS 31 -0.210 4.158 0.954
205 HE1 HIS 31 HE1 HIS 31 1.968 3.620 4.555
206 H ARG 32 H ARG 32 -0.230 7.350 -0.012
207 HA ARG 32 HA ARG 32 2.315 6.299 -0.153
208 HB2 ARG 32 1HB ARG 32 0.763 7.973 -2.120
209 HB3 ARG 32 2HB ARG 32 2.335 7.288 -2.509
210 HG2 ARG 32 1HG ARG 32 1.524 5.076 -2.324
211 HG3 ARG 32 2HG ARG 32 0.021 5.617 -1.574
212 HD2 ARG 32 1HD ARG 32 -0.287 4.996 -3.931
213 HD3 ARG 32 2HD ARG 32 -0.655 6.695 -3.635
214 HE ARG 32 HE ARG 32 2.043 6.336 -4.468
215 HH11 ARG 32 1HH1 ARG 32 -1.238 6.466 -5.627
216 HH12 ARG 32 2HH1 ARG 32 -0.793 6.990 -7.218
217 HH21 ARG 32 1HH2 ARG 32 2.641 7.026 -6.559
218 HH22 ARG 32 2HH2 ARG 32 1.414 7.307 -7.747
219 H ARG 33 H ARG 33 1.395 9.486 0.631
220 HA ARG 33 HA ARG 33 3.397 11.101 -0.296
221 HB2 ARG 33 1HB ARG 33 1.958 11.067 2.346
222 HB3 ARG 33 2HB ARG 33 3.158 12.298 1.975
223 HG2 ARG 33 1HG ARG 33 0.730 11.752 0.284
224 HG3 ARG 33 2HG ARG 33 0.808 12.984 1.546
225 HD2 ARG 33 1HD ARG 33 2.595 12.836 -0.880
226 HD3 ARG 33 2HD ARG 33 1.217 13.918 -0.688
227 HE ARG 33 HE ARG 33 3.165 14.174 1.403
228 HH11 ARG 33 1HH1 ARG 33 2.284 15.176 -1.812
229 HH12 ARG 33 2HH1 ARG 33 3.173 16.661 -1.733
230 HH21 ARG 33 1HH2 ARG 33 4.339 16.126 1.519
231 HH22 ARG 33 2HH2 ARG 33 4.342 17.200 0.162
232 H ILE 34 H ILE 34 3.545 8.824 2.392
233 HA ILE 34 HA ILE 34 6.139 9.588 3.275
234 HB ILE 34 HB ILE 34 6.120 7.575 4.614
235 HG12 ILE 34 1HG1 ILE 34 3.495 6.721 3.455
236 HG13 ILE 34 2HG1 ILE 34 4.983 6.275 2.627
237 HG21 ILE 34 1HG2 ILE 34 3.283 8.219 4.909
238 HG22 ILE 34 2HG2 ILE 34 4.613 8.394 6.053
239 HG23 ILE 34 3HG2 ILE 34 4.336 9.631 4.827
240 HD11 ILE 34 3HD1 ILE 34 3.891 4.691 4.396
241 HD12 ILE 34 1HD1 ILE 34 5.643 4.859 4.292
242 HD13 ILE 34 2HD1 ILE 34 4.747 5.727 5.539
243 H HIS 35 H HIS 35 4.955 7.505 0.775
244 HA HIS 35 HA HIS 35 7.487 6.134 0.434
245 HB2 HIS 35 1HB HIS 35 4.879 6.043 -1.084
246 HB3 HIS 35 2HB HIS 35 6.308 5.142 -1.581
247 HD1 HIS 35 HD1 HIS 35 7.264 4.018 1.073
248 HD2 HIS 35 HD2 HIS 35 3.267 4.122 -0.057
249 HE1 HIS 35 HE1 HIS 35 6.135 2.225 2.428
250 H THR 36 H THR 36 5.683 8.753 -1.037
251 HA THR 36 HA THR 36 7.200 9.009 -3.399
252 HB THR 36 HB THR 36 6.124 11.056 -3.757
253 HG1 THR 36 HG1 THR 36 6.142 11.242 -0.943
254 HG21 THR 36 3HG2 THR 36 4.637 8.917 -3.098
255 HG22 THR 36 1HG2 THR 36 3.940 10.452 -3.615
256 HG23 THR 36 2HG2 THR 36 4.047 10.066 -1.897
257 H GLY 37 H GLY 37 9.178 9.791 -3.762
258 HA2 GLY 37 1HA GLY 37 10.813 10.644 -1.565
259 HA3 GLY 37 2HA GLY 37 11.303 10.535 -3.249
260 H TYR 38 H TYR 38 11.918 12.629 -1.349
261 HA TYR 38 HA TYR 38 10.517 14.916 -1.331
262 HB2 TYR 38 1HB TYR 38 12.708 14.860 -0.361
263 HB3 TYR 38 2HB TYR 38 13.460 14.593 -1.930
264 HD1 TYR 38 HD1 TYR 38 11.663 17.085 0.135
265 HD2 TYR 38 HD2 TYR 38 14.031 16.412 -3.336
266 HE1 TYR 38 HE1 TYR 38 11.952 19.513 -0.131
267 HE2 TYR 38 HE2 TYR 38 14.328 18.838 -3.611
268 HH TYR 38 HH TYR 38 13.945 20.849 -2.749
269 H ARG 39 H ARG 39 9.965 16.580 -2.678
270 HA ARG 39 HA ARG 39 10.769 16.396 -5.494
271 HB2 ARG 39 1HB ARG 39 7.969 16.474 -4.405
272 HB3 ARG 39 2HB ARG 39 8.330 17.087 -6.012
273 HG2 ARG 39 1HG ARG 39 9.036 14.305 -5.124
274 HG3 ARG 39 2HG ARG 39 7.505 14.718 -5.899
275 HD2 ARG 39 1HD ARG 39 10.176 15.364 -7.121
276 HD3 ARG 39 2HD ARG 39 9.343 13.837 -7.409
277 HE ARG 39 HE ARG 39 7.489 15.751 -8.000
278 HH11 ARG 39 1HH1 ARG 39 10.722 15.035 -9.075
279 HH12 ARG 39 2HH1 ARG 39 10.474 15.672 -10.667
280 HH21 ARG 39 1HH2 ARG 39 7.150 16.592 -10.093
281 HH22 ARG 39 2HH2 ARG 39 8.442 16.558 -11.245
282 HA PRO 40 HA PRO 40 11.417 20.730 -5.143
283 HB2 PRO 40 1HB PRO 40 11.136 21.456 -7.744
284 HB3 PRO 40 2HB PRO 40 12.547 20.580 -7.138
285 HG2 PRO 40 1HG PRO 40 10.138 19.531 -8.574
286 HG3 PRO 40 2HG PRO 40 11.847 19.118 -8.806
287 HD2 PRO 40 1HD PRO 40 10.148 17.551 -7.396
288 HD3 PRO 40 2HD PRO 40 11.874 17.681 -7.005
289 H SER 41 H SER 41 8.448 19.378 -5.803
290 HA SER 41 HA SER 41 6.942 21.608 -6.663
291 HB2 SER 41 1HB SER 41 6.224 19.173 -6.715
292 HB3 SER 41 2HB SER 41 5.898 19.319 -4.988
293 HG SER 41 HG SER 41 4.004 19.763 -6.041
294 H GLY 42 H GLY 42 7.426 23.425 -5.457
295 HA2 GLY 42 1HA GLY 42 6.297 24.741 -3.726
296 HA3 GLY 42 2HA GLY 42 6.464 23.350 -2.664
297 HA PRO 43 HA PRO 43 10.228 26.365 -2.621
298 HB2 PRO 43 1HB PRO 43 9.444 28.185 -0.766
299 HB3 PRO 43 2HB PRO 43 9.186 28.409 -2.500
300 HG2 PRO 43 1HG PRO 43 7.270 27.455 -0.407
301 HG3 PRO 43 2HG PRO 43 6.997 28.596 -1.737
302 HD2 PRO 43 1HD PRO 43 6.217 26.005 -1.857
303 HD3 PRO 43 2HD PRO 43 6.733 26.915 -3.292
304 H SER 44 H SER 44 11.664 25.263 -1.453
305 HA SER 44 HA SER 44 11.039 24.701 1.371
306 HB2 SER 44 1HB SER 44 11.121 22.712 -0.338
307 HB3 SER 44 2HB SER 44 12.867 22.914 -0.196
308 HG SER 44 HG SER 44 12.801 22.118 1.758
309 H SER 45 H SER 45 12.133 26.535 2.090
310 HA SER 45 HA SER 45 14.915 26.213 2.529
311 HB2 SER 45 1HB SER 45 14.831 27.060 0.123
312 HB3 SER 45 2HB SER 45 14.238 28.583 0.786
313 HG SER 45 HG SER 45 16.764 27.589 0.731
314 H GLY 46 H GLY 46 15.846 28.097 3.730
315 HA2 GLY 46 1HA GLY 46 15.648 29.933 5.164
316 HA3 GLY 46 2HA GLY 46 13.917 29.956 4.858
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -0.709 -25.935 3.901
2 HA2 GLY 1 1HA GLY 1 0.193 -23.729 2.537
3 HA3 GLY 1 2HA GLY 1 0.061 -24.983 1.313
4 H SER 2 H SER 2 -1.452 -22.895 0.842
5 HA SER 2 HA SER 2 -4.114 -23.935 1.004
6 HB2 SER 2 1HB SER 2 -3.299 -21.624 2.730
7 HB3 SER 2 2HB SER 2 -4.924 -21.661 2.046
8 HG SER 2 HG SER 2 -4.686 -22.662 4.160
9 H SER 3 H SER 3 -5.308 -23.245 -0.682
10 HA SER 3 HA SER 3 -4.525 -20.794 -2.079
11 HB2 SER 3 1HB SER 3 -4.435 -21.872 -4.231
12 HB3 SER 3 2HB SER 3 -3.360 -22.752 -3.145
13 HG SER 3 HG SER 3 -5.436 -23.681 -4.525
14 H GLY 4 H GLY 4 -6.161 -19.960 -3.506
15 HA2 GLY 4 1HA GLY 4 -8.374 -20.041 -4.434
16 HA3 GLY 4 2HA GLY 4 -8.831 -21.148 -3.148
17 H SER 5 H SER 5 -10.486 -20.079 -2.210
18 HA SER 5 HA SER 5 -10.080 -17.277 -1.441
19 HB2 SER 5 1HB SER 5 -12.483 -18.970 -1.957
20 HB3 SER 5 2HB SER 5 -12.636 -17.645 -0.803
21 HG SER 5 HG SER 5 -12.943 -16.510 -2.553
22 H SER 6 H SER 6 -8.642 -17.824 0.297
23 HA SER 6 HA SER 6 -9.761 -19.321 2.531
24 HB2 SER 6 1HB SER 6 -7.047 -18.303 1.807
25 HB3 SER 6 2HB SER 6 -7.408 -18.592 3.509
26 HG SER 6 HG SER 6 -7.867 -20.519 1.485
27 H GLY 7 H GLY 7 -8.289 -16.107 2.029
28 HA2 GLY 7 1HA GLY 7 -9.617 -15.178 4.477
29 HA3 GLY 7 2HA GLY 7 -8.305 -14.358 3.644
30 H SER 8 H SER 8 -11.721 -14.785 3.885
31 HA SER 8 HA SER 8 -12.529 -13.539 1.498
32 HB2 SER 8 1HB SER 8 -13.907 -14.842 3.310
33 HB3 SER 8 2HB SER 8 -14.119 -13.244 4.024
34 HG SER 8 HG SER 8 -15.370 -12.671 2.407
35 H GLY 9 H GLY 9 -11.909 -12.221 4.736
36 HA2 GLY 9 1HA GLY 9 -12.625 -9.552 4.100
37 HA3 GLY 9 2HA GLY 9 -11.651 -10.059 5.472
38 H GLU 10 H GLU 10 -11.655 -8.534 2.443
39 HA GLU 10 HA GLU 10 -8.802 -8.021 2.676
40 HB2 GLU 10 1HB GLU 10 -8.343 -8.580 0.338
41 HB3 GLU 10 2HB GLU 10 -8.892 -9.992 1.231
42 HG2 GLU 10 1HG GLU 10 -11.203 -9.485 0.309
43 HG3 GLU 10 2HG GLU 10 -10.397 -8.366 -0.790
44 H LYS 11 H LYS 11 -8.275 -5.994 2.086
45 HA LYS 11 HA LYS 11 -10.434 -4.274 1.142
46 HB2 LYS 11 1HB LYS 11 -7.863 -3.854 2.583
47 HB3 LYS 11 2HB LYS 11 -8.466 -2.532 1.593
48 HG2 LYS 11 1HG LYS 11 -10.651 -2.770 2.851
49 HG3 LYS 11 2HG LYS 11 -9.776 -3.822 3.966
50 HD2 LYS 11 1HD LYS 11 -8.466 -2.103 4.769
51 HD3 LYS 11 2HD LYS 11 -8.650 -1.138 3.303
52 HE2 LYS 11 1HE LYS 11 -9.887 -0.086 5.067
53 HE3 LYS 11 2HE LYS 11 -11.032 -0.772 3.916
54 HZ1 LYS 11 3HZ LYS 11 -11.050 -1.174 6.601
55 HZ2 LYS 11 1HZ LYS 11 -10.335 -2.592 6.019
56 HZ3 LYS 11 2HZ LYS 11 -11.861 -2.123 5.460
57 HA PRO 12 HA PRO 12 -8.906 -4.019 -2.979
58 HB2 PRO 12 1HB PRO 12 -9.961 -1.619 -3.685
59 HB3 PRO 12 2HB PRO 12 -10.936 -3.084 -3.514
60 HG2 PRO 12 1HG PRO 12 -10.554 -0.828 -1.584
61 HG3 PRO 12 2HG PRO 12 -12.043 -1.685 -2.023
62 HD2 PRO 12 1HD PRO 12 -10.672 -2.217 0.251
63 HD3 PRO 12 2HD PRO 12 -11.580 -3.463 -0.630
64 H TYR 13 H TYR 13 -8.570 -1.095 -0.979
65 HA TYR 13 HA TYR 13 -6.208 -0.307 -2.507
66 HB2 TYR 13 1HB TYR 13 -7.456 1.190 -0.205
67 HB3 TYR 13 2HB TYR 13 -6.384 1.820 -1.450
68 HD1 TYR 13 HD1 TYR 13 -7.290 1.689 -3.898
69 HD2 TYR 13 HD2 TYR 13 -9.748 1.468 -0.432
70 HE1 TYR 13 HE1 TYR 13 -9.237 2.357 -5.244
71 HE2 TYR 13 HE2 TYR 13 -11.702 2.134 -1.768
72 HH TYR 13 HH TYR 13 -11.450 3.418 -4.878
73 H LYS 14 H LYS 14 -4.733 -1.878 -1.815
74 HA LYS 14 HA LYS 14 -3.871 -1.597 0.990
75 HB2 LYS 14 1HB LYS 14 -4.875 -3.851 0.235
76 HB3 LYS 14 2HB LYS 14 -3.379 -4.061 -0.665
77 HG2 LYS 14 1HG LYS 14 -3.297 -3.410 2.249
78 HG3 LYS 14 2HG LYS 14 -3.598 -5.063 1.710
79 HD2 LYS 14 1HD LYS 14 -1.306 -3.579 0.523
80 HD3 LYS 14 2HD LYS 14 -1.149 -4.186 2.172
81 HE2 LYS 14 1HE LYS 14 -1.392 -6.409 1.501
82 HE3 LYS 14 2HE LYS 14 -2.107 -5.961 -0.046
83 HZ1 LYS 14 3HZ LYS 14 -0.063 -5.405 -0.927
84 HZ2 LYS 14 1HZ LYS 14 0.325 -6.750 0.024
85 HZ3 LYS 14 2HZ LYS 14 0.666 -5.190 0.584
86 H CYS 15 H CYS 15 -2.149 -0.289 0.931
87 HA CYS 15 HA CYS 15 -0.428 0.174 -1.178
88 HB2 CYS 15 1HB CYS 15 -0.594 1.511 0.944
89 HB3 CYS 15 2HB CYS 15 0.358 0.261 1.739
90 H SER 16 H SER 16 0.342 -1.586 -2.257
91 HA SER 16 HA SER 16 1.347 -3.928 -1.084
92 HB2 SER 16 1HB SER 16 1.827 -2.677 -3.792
93 HB3 SER 16 2HB SER 16 2.471 -4.255 -3.338
94 HG SER 16 HG SER 16 -0.261 -3.750 -2.974
95 H GLU 17 H GLU 17 2.842 -0.853 -1.799
96 HA GLU 17 HA GLU 17 5.522 -1.455 -1.775
97 HB2 GLU 17 1HB GLU 17 3.931 0.906 -0.902
98 HB3 GLU 17 2HB GLU 17 5.625 0.847 -0.439
99 HG2 GLU 17 1HG GLU 17 5.503 2.067 -2.455
100 HG3 GLU 17 2HG GLU 17 6.179 0.489 -2.854
101 H CYS 18 H CYS 18 3.644 -0.496 1.106
102 HA CYS 18 HA CYS 18 5.674 -1.797 2.779
103 HB2 CYS 18 1HB CYS 18 4.720 -0.507 4.634
104 HB3 CYS 18 2HB CYS 18 5.182 0.550 3.303
105 H GLY 19 H GLY 19 2.185 -1.679 2.197
106 HA2 GLY 19 1HA GLY 19 1.063 -3.885 2.212
107 HA3 GLY 19 2HA GLY 19 1.955 -4.220 3.689
108 H LYS 20 H LYS 20 0.622 -1.063 3.133
109 HA LYS 20 HA LYS 20 -1.080 -1.377 5.461
110 HB2 LYS 20 1HB LYS 20 -0.210 0.952 3.779
111 HB3 LYS 20 2HB LYS 20 -1.564 1.117 4.889
112 HG2 LYS 20 1HG LYS 20 0.985 -0.014 5.921
113 HG3 LYS 20 2HG LYS 20 0.887 1.721 5.614
114 HD2 LYS 20 1HD LYS 20 -0.871 1.998 7.160
115 HD3 LYS 20 2HD LYS 20 -1.181 0.262 7.239
116 HE2 LYS 20 1HE LYS 20 -0.050 0.825 9.238
117 HE3 LYS 20 2HE LYS 20 1.135 0.018 8.213
118 HZ1 LYS 20 3HZ LYS 20 0.873 2.966 8.409
119 HZ2 LYS 20 1HZ LYS 20 2.110 2.094 7.652
120 HZ3 LYS 20 2HZ LYS 20 1.958 2.058 9.336
121 H ALA 21 H ALA 21 -3.312 -0.374 5.361
122 HA ALA 21 HA ALA 21 -4.635 -0.659 2.779
123 HB1 ALA 21 3HB ALA 21 -4.772 -2.899 3.643
124 HB2 ALA 21 1HB ALA 21 -5.377 -2.308 5.191
125 HB3 ALA 21 2HB ALA 21 -6.367 -2.152 3.739
126 H PHE 22 H PHE 22 -6.556 0.481 2.606
127 HA PHE 22 HA PHE 22 -7.514 1.912 4.973
128 HB2 PHE 22 1HB PHE 22 -6.942 3.300 2.349
129 HB3 PHE 22 2HB PHE 22 -7.523 4.045 3.834
130 HD1 PHE 22 HD2 PHE 22 -6.019 4.241 5.787
131 HD2 PHE 22 HD1 PHE 22 -4.640 2.862 2.004
132 HE1 PHE 22 HE2 PHE 22 -3.698 4.672 6.480
133 HE2 PHE 22 HE1 PHE 22 -2.317 3.290 2.691
134 HZ PHE 22 HZ PHE 22 -1.843 4.197 4.931
135 H HIS 23 H HIS 23 -9.633 2.957 4.605
136 HA HIS 23 HA HIS 23 -11.304 1.222 2.965
137 HB2 HIS 23 1HB HIS 23 -11.964 1.577 5.294
138 HB3 HIS 23 2HB HIS 23 -12.045 3.315 5.021
139 HD1 HIS 23 HD1 HIS 23 -13.558 0.417 3.065
140 HD2 HIS 23 HD2 HIS 23 -14.673 3.927 4.988
141 HE1 HIS 23 HE1 HIS 23 -16.029 0.651 2.659
142 H ARG 24 H ARG 24 -10.541 4.652 3.359
143 HA ARG 24 HA ARG 24 -12.105 5.264 0.953
144 HB2 ARG 24 1HB ARG 24 -10.938 7.041 3.098
145 HB3 ARG 24 2HB ARG 24 -11.709 7.653 1.641
146 HG2 ARG 24 1HG ARG 24 -13.761 6.358 2.325
147 HG3 ARG 24 2HG ARG 24 -12.963 6.086 3.876
148 HD2 ARG 24 1HD ARG 24 -12.819 8.476 4.253
149 HD3 ARG 24 2HD ARG 24 -13.516 8.792 2.664
150 HE ARG 24 HE ARG 24 -15.368 7.240 3.949
151 HH11 ARG 24 1HH1 ARG 24 -13.792 10.276 4.596
152 HH12 ARG 24 2HH1 ARG 24 -15.127 10.928 5.487
153 HH21 ARG 24 1HH2 ARG 24 -17.133 8.088 5.120
154 HH22 ARG 24 2HH2 ARG 24 -17.026 9.682 5.785
155 H HIS 25 H HIS 25 -11.046 5.285 -0.908
156 HA HIS 25 HA HIS 25 -8.440 4.932 -1.442
157 HB2 HIS 25 1HB HIS 25 -9.816 4.988 -3.322
158 HB3 HIS 25 2HB HIS 25 -10.508 6.549 -2.892
159 HD1 HIS 25 HD1 HIS 25 -9.078 8.668 -3.453
160 HD2 HIS 25 HD2 HIS 25 -7.509 5.086 -4.856
161 HE1 HIS 25 HE1 HIS 25 -7.311 9.315 -5.121
162 H THR 26 H THR 26 -9.923 8.130 -0.958
163 HA THR 26 HA THR 26 -7.855 9.822 -1.368
164 HB THR 26 HB THR 26 -8.732 11.161 0.638
165 HG1 THR 26 HG1 THR 26 -10.943 10.258 1.181
166 HG21 THR 26 3HG2 THR 26 -10.794 11.761 -0.535
167 HG22 THR 26 1HG2 THR 26 -10.682 10.289 -1.499
168 HG23 THR 26 2HG2 THR 26 -9.462 11.551 -1.671
169 H HIS 27 H HIS 27 -8.445 8.135 1.718
170 HA HIS 27 HA HIS 27 -6.272 9.047 3.145
171 HB2 HIS 27 1HB HIS 27 -7.609 6.339 3.189
172 HB3 HIS 27 2HB HIS 27 -6.397 6.836 4.366
173 HD1 HIS 27 HD1 HIS 27 -8.342 6.496 6.152
174 HD2 HIS 27 HD2 HIS 27 -8.883 9.621 3.467
175 HE1 HIS 27 HE1 HIS 27 -10.144 7.938 7.152
176 H LEU 28 H LEU 28 -6.403 6.089 1.157
177 HA LEU 28 HA LEU 28 -3.812 5.224 1.453
178 HB2 LEU 28 1HB LEU 28 -5.327 3.852 0.281
179 HB3 LEU 28 2HB LEU 28 -5.675 5.113 -0.900
180 HG LEU 28 HG LEU 28 -3.252 4.840 -1.656
181 HD11 LEU 28 1HD1 LEU 28 -1.930 3.365 -0.662
182 HD12 LEU 28 2HD1 LEU 28 -3.119 2.081 -0.877
183 HD13 LEU 28 3HD1 LEU 28 -3.187 3.116 0.549
184 HD21 LEU 28 3HD2 LEU 28 -4.598 2.286 -2.219
185 HD22 LEU 28 1HD2 LEU 28 -4.005 3.528 -3.321
186 HD23 LEU 28 2HD2 LEU 28 -5.562 3.733 -2.519
187 H ASN 29 H ASN 29 -4.907 7.097 -1.381
188 HA ASN 29 HA ASN 29 -2.569 7.694 -2.570
189 HB2 ASN 29 1HB ASN 29 -4.689 8.502 -3.440
190 HB3 ASN 29 2HB ASN 29 -4.852 9.620 -2.090
191 HD21 ASN 29 1HD2 ASN 29 -5.118 10.940 -4.194
192 HD22 ASN 29 2HD2 ASN 29 -3.686 11.733 -4.746
193 H GLU 30 H GLU 30 -3.963 9.705 0.028
194 HA GLU 30 HA GLU 30 -1.841 11.476 0.304
195 HB2 GLU 30 1HB GLU 30 -4.231 11.348 1.442
196 HB3 GLU 30 2HB GLU 30 -3.317 10.600 2.745
197 HG2 GLU 30 1HG GLU 30 -1.781 12.641 2.581
198 HG3 GLU 30 2HG GLU 30 -3.081 13.372 1.642
199 H HIS 31 H HIS 31 -2.383 8.348 1.876
200 HA HIS 31 HA HIS 31 -0.199 8.398 3.622
201 HB2 HIS 31 1HB HIS 31 -1.662 6.672 4.088
202 HB3 HIS 31 2HB HIS 31 -1.856 6.237 2.392
203 HD1 HIS 31 HD1 HIS 31 0.272 5.591 5.377
204 HD2 HIS 31 HD2 HIS 31 0.106 4.487 1.376
205 HE1 HIS 31 HE1 HIS 31 1.855 3.651 5.149
206 H ARG 32 H ARG 32 -0.449 7.086 0.325
207 HA ARG 32 HA ARG 32 2.028 5.991 -0.006
208 HB2 ARG 32 1HB ARG 32 0.566 7.687 -2.038
209 HB3 ARG 32 2HB ARG 32 1.833 6.519 -2.393
210 HG2 ARG 32 1HG ARG 32 0.370 4.741 -1.451
211 HG3 ARG 32 2HG ARG 32 -0.910 5.946 -1.299
212 HD2 ARG 32 1HD ARG 32 0.440 5.046 -3.840
213 HD3 ARG 32 2HD ARG 32 -1.214 4.695 -3.341
214 HE ARG 32 HE ARG 32 -0.624 7.504 -3.544
215 HH11 ARG 32 1HH1 ARG 32 -1.679 4.658 -5.250
216 HH12 ARG 32 2HH1 ARG 32 -2.511 5.547 -6.483
217 HH21 ARG 32 1HH2 ARG 32 -1.716 8.685 -5.161
218 HH22 ARG 32 2HH2 ARG 32 -2.530 7.837 -6.432
219 H ARG 33 H ARG 33 1.278 9.301 0.495
220 HA ARG 33 HA ARG 33 3.326 10.663 -0.736
221 HB2 ARG 33 1HB ARG 33 2.019 11.114 1.944
222 HB3 ARG 33 2HB ARG 33 3.188 12.237 1.261
223 HG2 ARG 33 1HG ARG 33 1.756 12.660 -0.625
224 HG3 ARG 33 2HG ARG 33 0.618 11.426 -0.080
225 HD2 ARG 33 1HD ARG 33 -0.127 13.712 0.464
226 HD3 ARG 33 2HD ARG 33 0.109 12.714 1.899
227 HE ARG 33 HE ARG 33 2.465 13.957 1.724
228 HH11 ARG 33 1HH1 ARG 33 -0.791 15.170 1.495
229 HH12 ARG 33 2HH1 ARG 33 -0.393 16.731 2.132
230 HH21 ARG 33 1HH2 ARG 33 3.001 16.009 2.564
231 HH22 ARG 33 2HH2 ARG 33 1.764 17.208 2.739
232 H ILE 34 H ILE 34 3.409 8.948 2.363
233 HA ILE 34 HA ILE 34 5.995 9.660 3.146
234 HB ILE 34 HB ILE 34 5.962 7.751 4.617
235 HG12 ILE 34 1HG1 ILE 34 3.391 6.739 3.489
236 HG13 ILE 34 2HG1 ILE 34 4.884 6.320 2.657
237 HG21 ILE 34 1HG2 ILE 34 4.635 9.161 5.744
238 HG22 ILE 34 2HG2 ILE 34 3.643 9.510 4.329
239 HG23 ILE 34 3HG2 ILE 34 3.337 8.060 5.284
240 HD11 ILE 34 3HD1 ILE 34 4.422 5.823 5.584
241 HD12 ILE 34 1HD1 ILE 34 4.078 4.642 4.320
242 HD13 ILE 34 2HD1 ILE 34 5.730 5.207 4.574
243 H HIS 35 H HIS 35 4.917 7.542 0.667
244 HA HIS 35 HA HIS 35 7.456 6.130 0.494
245 HB2 HIS 35 1HB HIS 35 4.880 5.937 -1.065
246 HB3 HIS 35 2HB HIS 35 6.330 5.042 -1.513
247 HD1 HIS 35 HD1 HIS 35 7.190 3.270 0.294
248 HD2 HIS 35 HD2 HIS 35 3.376 4.796 0.918
249 HE1 HIS 35 HE1 HIS 35 6.099 1.704 1.932
250 H THR 36 H THR 36 5.931 8.896 -0.821
251 HA THR 36 HA THR 36 7.974 9.061 -2.940
252 HB THR 36 HB THR 36 5.917 9.116 -4.061
253 HG1 THR 36 HG1 THR 36 6.182 11.890 -3.666
254 HG21 THR 36 3HG2 THR 36 4.021 10.545 -3.355
255 HG22 THR 36 1HG2 THR 36 4.928 10.993 -1.911
256 HG23 THR 36 2HG2 THR 36 4.432 9.318 -2.158
257 H GLY 37 H GLY 37 9.558 10.450 -2.537
258 HA2 GLY 37 1HA GLY 37 9.702 13.025 -2.198
259 HA3 GLY 37 2HA GLY 37 9.088 12.611 -0.604
260 H TYR 38 H TYR 38 11.495 10.972 -2.638
261 HA TYR 38 HA TYR 38 13.270 10.724 -0.381
262 HB2 TYR 38 1HB TYR 38 14.738 9.528 -1.998
263 HB3 TYR 38 2HB TYR 38 13.109 8.866 -1.920
264 HD1 TYR 38 HD1 TYR 38 14.937 11.502 -3.851
265 HD2 TYR 38 HD2 TYR 38 12.166 8.275 -3.932
266 HE1 TYR 38 HE1 TYR 38 14.725 11.754 -6.288
267 HE2 TYR 38 HE2 TYR 38 11.947 8.517 -6.370
268 HH TYR 38 HH TYR 38 12.828 11.149 -8.042
269 H ARG 39 H ARG 39 15.590 11.311 -0.574
270 HA ARG 39 HA ARG 39 15.870 14.077 -1.087
271 HB2 ARG 39 1HB ARG 39 17.194 12.450 0.509
272 HB3 ARG 39 2HB ARG 39 18.253 12.283 -0.885
273 HG2 ARG 39 1HG ARG 39 18.769 14.601 -0.875
274 HG3 ARG 39 2HG ARG 39 17.510 14.937 0.314
275 HD2 ARG 39 1HD ARG 39 19.634 14.948 1.427
276 HD3 ARG 39 2HD ARG 39 18.741 13.515 1.935
277 HE ARG 39 HE ARG 39 20.280 12.686 -0.175
278 HH11 ARG 39 1HH1 ARG 39 20.878 14.180 2.913
279 HH12 ARG 39 2HH1 ARG 39 22.441 13.459 3.106
280 HH21 ARG 39 1HH2 ARG 39 22.337 11.731 0.068
281 HH22 ARG 39 2HH2 ARG 39 23.271 12.067 1.487
282 HA PRO 40 HA PRO 40 16.830 14.089 -5.389
283 HB2 PRO 40 1HB PRO 40 18.066 16.503 -5.518
284 HB3 PRO 40 2HB PRO 40 16.316 16.328 -5.336
285 HG2 PRO 40 1HG PRO 40 18.391 16.890 -3.252
286 HG3 PRO 40 2HG PRO 40 16.791 17.624 -3.465
287 HD2 PRO 40 1HD PRO 40 17.272 15.683 -1.639
288 HD3 PRO 40 2HD PRO 40 15.707 15.857 -2.458
289 H SER 41 H SER 41 18.716 14.399 -6.863
290 HA SER 41 HA SER 41 21.069 13.151 -5.683
291 HB2 SER 41 1HB SER 41 21.776 12.793 -8.023
292 HB3 SER 41 2HB SER 41 20.152 12.170 -7.731
293 HG SER 41 HG SER 41 20.240 13.366 -9.665
294 H GLY 42 H GLY 42 22.377 14.603 -4.727
295 HA2 GLY 42 1HA GLY 42 24.295 16.030 -5.223
296 HA3 GLY 42 2HA GLY 42 23.282 16.872 -6.386
297 HA PRO 43 HA PRO 43 22.497 19.901 -3.303
298 HB2 PRO 43 1HB PRO 43 20.201 20.954 -4.296
299 HB3 PRO 43 2HB PRO 43 21.785 21.251 -5.020
300 HG2 PRO 43 1HG PRO 43 19.662 19.308 -5.842
301 HG3 PRO 43 2HG PRO 43 20.661 20.367 -6.854
302 HD2 PRO 43 1HD PRO 43 21.198 17.733 -6.529
303 HD3 PRO 43 2HD PRO 43 22.473 18.944 -6.775
304 H SER 44 H SER 44 22.033 18.770 -1.431
305 HA SER 44 HA SER 44 19.763 17.219 -0.944
306 HB2 SER 44 1HB SER 44 20.377 17.270 1.354
307 HB3 SER 44 2HB SER 44 21.890 17.361 0.452
308 HG SER 44 HG SER 44 20.494 19.602 1.494
309 H SER 45 H SER 45 18.015 17.723 0.629
310 HA SER 45 HA SER 45 17.032 20.472 0.222
311 HB2 SER 45 1HB SER 45 15.805 18.439 -0.856
312 HB3 SER 45 2HB SER 45 15.210 18.149 0.778
313 HG SER 45 HG SER 45 13.743 19.468 -0.231
314 H GLY 46 H GLY 46 16.444 17.711 2.412
315 HA2 GLY 46 1HA GLY 46 17.153 19.228 4.734
316 HA3 GLY 46 2HA GLY 46 15.411 19.077 4.560
Start of MODEL 11
1 H1 GLY 1 H GLY 1 9.981 -24.591 -3.458
2 HA2 GLY 1 1HA GLY 1 9.163 -22.570 -4.520
3 HA3 GLY 1 2HA GLY 1 8.136 -23.581 -5.526
4 H SER 2 H SER 2 8.238 -21.620 -2.830
5 HA SER 2 HA SER 2 5.595 -22.584 -1.982
6 HB2 SER 2 1HB SER 2 6.226 -22.054 0.385
7 HB3 SER 2 2HB SER 2 7.121 -23.410 -0.302
8 HG SER 2 HG SER 2 8.647 -22.162 0.628
9 H SER 3 H SER 3 4.104 -21.028 -1.775
10 HA SER 3 HA SER 3 4.754 -18.353 -2.548
11 HB2 SER 3 1HB SER 3 2.561 -19.702 -2.961
12 HB3 SER 3 2HB SER 3 2.109 -19.133 -1.354
13 HG SER 3 HG SER 3 1.369 -17.630 -2.795
14 H GLY 4 H GLY 4 4.777 -16.492 -1.336
15 HA2 GLY 4 1HA GLY 4 5.155 -16.887 1.534
16 HA3 GLY 4 2HA GLY 4 5.597 -15.456 0.615
17 H SER 5 H SER 5 2.491 -17.164 0.803
18 HA SER 5 HA SER 5 0.837 -14.999 0.768
19 HB2 SER 5 1HB SER 5 -0.833 -16.396 1.952
20 HB3 SER 5 2HB SER 5 -0.006 -17.288 0.675
21 HG SER 5 HG SER 5 0.160 -18.649 2.326
22 H SER 6 H SER 6 -0.162 -13.670 2.291
23 HA SER 6 HA SER 6 1.022 -13.658 4.983
24 HB2 SER 6 1HB SER 6 0.762 -11.351 3.062
25 HB3 SER 6 2HB SER 6 0.889 -11.093 4.802
26 HG SER 6 HG SER 6 2.774 -12.232 3.038
27 H GLY 7 H GLY 7 -1.614 -12.514 2.905
28 HA2 GLY 7 1HA GLY 7 -3.894 -13.023 3.644
29 HA3 GLY 7 2HA GLY 7 -3.377 -12.617 5.274
30 H SER 8 H SER 8 -4.862 -11.009 5.636
31 HA SER 8 HA SER 8 -5.942 -9.000 5.411
32 HB2 SER 8 1HB SER 8 -4.347 -7.078 5.120
33 HB3 SER 8 2HB SER 8 -3.871 -8.228 6.370
34 HG SER 8 HG SER 8 -2.341 -9.067 5.002
35 H GLY 9 H GLY 9 -6.260 -10.546 3.116
36 HA2 GLY 9 1HA GLY 9 -5.988 -8.583 0.931
37 HA3 GLY 9 2HA GLY 9 -6.134 -10.319 0.706
38 H GLU 10 H GLU 10 -7.965 -7.715 2.321
39 HA GLU 10 HA GLU 10 -10.392 -8.788 1.038
40 HB2 GLU 10 1HB GLU 10 -9.924 -7.892 3.855
41 HB3 GLU 10 2HB GLU 10 -11.520 -7.703 3.145
42 HG2 GLU 10 1HG GLU 10 -11.168 -10.233 2.511
43 HG3 GLU 10 2HG GLU 10 -10.043 -10.175 3.867
44 H LYS 11 H LYS 11 -8.824 -5.913 2.388
45 HA LYS 11 HA LYS 11 -10.738 -4.069 1.378
46 HB2 LYS 11 1HB LYS 11 -7.969 -3.829 2.506
47 HB3 LYS 11 2HB LYS 11 -8.739 -2.434 1.761
48 HG2 LYS 11 1HG LYS 11 -10.040 -4.012 3.960
49 HG3 LYS 11 2HG LYS 11 -8.958 -2.652 4.270
50 HD2 LYS 11 1HD LYS 11 -10.414 -1.172 3.015
51 HD3 LYS 11 2HD LYS 11 -11.467 -2.526 2.596
52 HE2 LYS 11 1HE LYS 11 -12.529 -1.421 4.387
53 HE3 LYS 11 2HE LYS 11 -11.790 -2.861 5.087
54 HZ1 LYS 11 3HZ LYS 11 -9.826 -1.150 5.453
55 HZ2 LYS 11 1HZ LYS 11 -11.079 -1.333 6.575
56 HZ3 LYS 11 2HZ LYS 11 -11.111 -0.051 5.472
57 HA PRO 12 HA PRO 12 -9.512 -3.856 -2.850
58 HB2 PRO 12 1HB PRO 12 -10.552 -1.422 -3.454
59 HB3 PRO 12 2HB PRO 12 -11.549 -2.864 -3.229
60 HG2 PRO 12 1HG PRO 12 -10.973 -0.642 -1.308
61 HG3 PRO 12 2HG PRO 12 -12.511 -1.456 -1.648
62 HD2 PRO 12 1HD PRO 12 -10.996 -2.049 0.516
63 HD3 PRO 12 2HD PRO 12 -11.996 -3.261 -0.311
64 H TYR 13 H TYR 13 -8.868 -1.081 -0.742
65 HA TYR 13 HA TYR 13 -6.619 -0.307 -2.456
66 HB2 TYR 13 1HB TYR 13 -7.833 1.186 -0.123
67 HB3 TYR 13 2HB TYR 13 -6.617 1.801 -1.236
68 HD1 TYR 13 HD1 TYR 13 -7.225 2.368 -3.550
69 HD2 TYR 13 HD2 TYR 13 -10.156 1.101 -0.738
70 HE1 TYR 13 HE1 TYR 13 -8.999 3.226 -5.022
71 HE2 TYR 13 HE2 TYR 13 -11.938 1.955 -2.202
72 HH TYR 13 HH TYR 13 -11.456 2.765 -5.406
73 H LYS 14 H LYS 14 -4.959 -1.640 -1.929
74 HA LYS 14 HA LYS 14 -4.058 -1.574 0.876
75 HB2 LYS 14 1HB LYS 14 -4.943 -3.805 0.211
76 HB3 LYS 14 2HB LYS 14 -3.722 -3.879 -1.052
77 HG2 LYS 14 1HG LYS 14 -2.105 -3.443 0.999
78 HG3 LYS 14 2HG LYS 14 -3.442 -4.183 1.883
79 HD2 LYS 14 1HD LYS 14 -3.357 -6.066 0.213
80 HD3 LYS 14 2HD LYS 14 -1.858 -5.360 -0.394
81 HE2 LYS 14 1HE LYS 14 -1.059 -6.902 1.118
82 HE3 LYS 14 2HE LYS 14 -1.136 -5.447 2.110
83 HZ1 LYS 14 3HZ LYS 14 -3.285 -7.490 2.008
84 HZ2 LYS 14 1HZ LYS 14 -3.168 -6.183 3.075
85 HZ3 LYS 14 2HZ LYS 14 -2.067 -7.462 3.182
86 H CYS 15 H CYS 15 -2.083 -0.776 1.176
87 HA CYS 15 HA CYS 15 -0.507 0.050 -1.081
88 HB2 CYS 15 1HB CYS 15 -0.730 1.422 0.980
89 HB3 CYS 15 2HB CYS 15 0.160 0.188 1.866
90 H SER 16 H SER 16 0.693 -1.376 -2.148
91 HA SER 16 HA SER 16 1.670 -3.785 -0.952
92 HB2 SER 16 1HB SER 16 1.003 -3.459 -3.396
93 HB3 SER 16 2HB SER 16 2.552 -2.643 -3.604
94 HG SER 16 HG SER 16 2.803 -4.810 -4.108
95 H GLU 17 H GLU 17 2.994 -0.628 -1.658
96 HA GLU 17 HA GLU 17 5.702 -1.066 -1.584
97 HB2 GLU 17 1HB GLU 17 4.153 1.217 -0.350
98 HB3 GLU 17 2HB GLU 17 5.893 1.220 -0.603
99 HG2 GLU 17 1HG GLU 17 5.089 2.396 -2.422
100 HG3 GLU 17 2HG GLU 17 5.326 0.774 -3.068
101 H CYS 18 H CYS 18 3.708 -0.251 1.263
102 HA CYS 18 HA CYS 18 5.795 -1.402 2.974
103 HB2 CYS 18 1HB CYS 18 4.687 -0.205 4.815
104 HB3 CYS 18 2HB CYS 18 5.125 0.891 3.508
105 H GLY 19 H GLY 19 2.366 -1.627 2.195
106 HA2 GLY 19 1HA GLY 19 1.319 -3.810 2.220
107 HA3 GLY 19 2HA GLY 19 2.311 -4.212 3.614
108 H LYS 20 H LYS 20 0.231 -1.419 2.875
109 HA LYS 20 HA LYS 20 -1.201 -1.959 5.393
110 HB2 LYS 20 1HB LYS 20 -0.296 0.581 4.107
111 HB3 LYS 20 2HB LYS 20 -1.762 0.604 5.078
112 HG2 LYS 20 1HG LYS 20 -0.400 -0.441 6.931
113 HG3 LYS 20 2HG LYS 20 1.026 -0.089 5.951
114 HD2 LYS 20 1HD LYS 20 0.668 2.237 6.081
115 HD3 LYS 20 2HD LYS 20 -0.982 2.029 6.673
116 HE2 LYS 20 1HE LYS 20 1.507 1.229 8.177
117 HE3 LYS 20 2HE LYS 20 0.614 2.726 8.435
118 HZ1 LYS 20 3HZ LYS 20 -1.367 1.244 8.881
119 HZ2 LYS 20 1HZ LYS 20 -0.152 1.247 10.059
120 HZ3 LYS 20 2HZ LYS 20 -0.274 -0.044 8.973
121 H ALA 21 H ALA 21 -3.419 -0.661 5.307
122 HA ALA 21 HA ALA 21 -4.703 -0.858 2.706
123 HB1 ALA 21 3HB ALA 21 -5.314 -2.686 4.993
124 HB2 ALA 21 1HB ALA 21 -6.578 -2.234 3.849
125 HB3 ALA 21 2HB ALA 21 -5.127 -3.060 3.280
126 H PHE 22 H PHE 22 -6.533 0.399 2.516
127 HA PHE 22 HA PHE 22 -7.435 1.831 4.918
128 HB2 PHE 22 1HB PHE 22 -6.843 3.118 2.244
129 HB3 PHE 22 2HB PHE 22 -7.510 3.935 3.653
130 HD1 PHE 22 HD2 PHE 22 -6.120 4.412 5.591
131 HD2 PHE 22 HD1 PHE 22 -4.514 2.545 2.119
132 HE1 PHE 22 HE2 PHE 22 -3.844 4.915 6.377
133 HE2 PHE 22 HE1 PHE 22 -2.235 3.045 2.900
134 HZ PHE 22 HZ PHE 22 -1.898 4.233 5.031
135 H HIS 23 H HIS 23 -9.534 2.975 4.551
136 HA HIS 23 HA HIS 23 -11.316 1.212 3.061
137 HB2 HIS 23 1HB HIS 23 -12.195 1.515 5.182
138 HB3 HIS 23 2HB HIS 23 -11.668 3.193 5.275
139 HD1 HIS 23 HD1 HIS 23 -13.897 1.553 2.669
140 HD2 HIS 23 HD2 HIS 23 -14.002 4.548 5.546
141 HE1 HIS 23 HE1 HIS 23 -16.137 2.664 2.402
142 H ARG 24 H ARG 24 -10.299 4.578 3.174
143 HA ARG 24 HA ARG 24 -11.903 5.100 0.761
144 HB2 ARG 24 1HB ARG 24 -10.975 6.893 2.987
145 HB3 ARG 24 2HB ARG 24 -11.430 7.555 1.423
146 HG2 ARG 24 1HG ARG 24 -13.264 5.768 2.985
147 HG3 ARG 24 2HG ARG 24 -13.207 7.514 3.236
148 HD2 ARG 24 1HD ARG 24 -13.568 6.367 0.493
149 HD3 ARG 24 2HD ARG 24 -14.941 6.538 1.586
150 HE ARG 24 HE ARG 24 -13.431 8.952 1.342
151 HH11 ARG 24 1HH1 ARG 24 -15.882 6.994 -0.168
152 HH12 ARG 24 2HH1 ARG 24 -16.616 8.325 -1.001
153 HH21 ARG 24 1HH2 ARG 24 -14.389 10.711 0.251
154 HH22 ARG 24 2HH2 ARG 24 -15.765 10.438 -0.762
155 H HIS 25 H HIS 25 -10.924 5.757 -1.079
156 HA HIS 25 HA HIS 25 -8.202 5.257 -1.485
157 HB2 HIS 25 1HB HIS 25 -9.520 5.141 -3.412
158 HB3 HIS 25 2HB HIS 25 -10.304 6.684 -3.085
159 HD1 HIS 25 HD1 HIS 25 -8.880 8.850 -3.607
160 HD2 HIS 25 HD2 HIS 25 -7.240 5.277 -4.949
161 HE1 HIS 25 HE1 HIS 25 -7.102 9.506 -5.260
162 H THR 26 H THR 26 -9.875 8.119 -0.457
163 HA THR 26 HA THR 26 -7.937 10.053 -1.089
164 HB THR 26 HB THR 26 -9.001 11.180 1.072
165 HG1 THR 26 HG1 THR 26 -10.070 9.114 1.587
166 HG21 THR 26 3HG2 THR 26 -10.586 10.717 -1.457
167 HG22 THR 26 1HG2 THR 26 -9.293 11.902 -1.276
168 HG23 THR 26 2HG2 THR 26 -10.773 12.061 -0.331
169 H HIS 27 H HIS 27 -8.135 7.712 1.473
170 HA HIS 27 HA HIS 27 -6.120 8.969 3.108
171 HB2 HIS 27 1HB HIS 27 -7.754 6.484 3.250
172 HB3 HIS 27 2HB HIS 27 -6.239 6.513 4.148
173 HD1 HIS 27 HD1 HIS 27 -7.608 6.442 6.371
174 HD2 HIS 27 HD2 HIS 27 -8.244 9.826 4.046
175 HE1 HIS 27 HE1 HIS 27 -8.780 8.081 7.876
176 H LEU 28 H LEU 28 -6.290 6.106 1.009
177 HA LEU 28 HA LEU 28 -3.646 5.250 1.360
178 HB2 LEU 28 1HB LEU 28 -5.302 3.823 0.355
179 HB3 LEU 28 2HB LEU 28 -5.511 4.946 -0.987
180 HG LEU 28 HG LEU 28 -2.934 4.413 -1.340
181 HD11 LEU 28 1HD1 LEU 28 -2.525 2.015 -0.895
182 HD12 LEU 28 2HD1 LEU 28 -4.014 1.966 0.049
183 HD13 LEU 28 3HD1 LEU 28 -2.670 2.979 0.574
184 HD21 LEU 28 3HD2 LEU 28 -4.215 2.181 -2.477
185 HD22 LEU 28 1HD2 LEU 28 -3.866 3.735 -3.235
186 HD23 LEU 28 2HD2 LEU 28 -5.412 3.477 -2.425
187 H ASN 29 H ASN 29 -5.062 7.331 -1.155
188 HA ASN 29 HA ASN 29 -2.773 7.786 -2.655
189 HB2 ASN 29 1HB ASN 29 -5.047 8.484 -3.334
190 HB3 ASN 29 2HB ASN 29 -5.012 9.748 -2.108
191 HD21 ASN 29 1HD2 ASN 29 -5.514 10.773 -4.366
192 HD22 ASN 29 2HD2 ASN 29 -4.142 11.473 -5.149
193 H GLU 30 H GLU 30 -3.964 9.514 0.201
194 HA GLU 30 HA GLU 30 -1.831 11.417 0.208
195 HB2 GLU 30 1HB GLU 30 -3.780 12.165 1.268
196 HB3 GLU 30 2HB GLU 30 -3.986 10.662 2.157
197 HG2 GLU 30 1HG GLU 30 -2.456 11.236 3.763
198 HG3 GLU 30 2HG GLU 30 -1.588 12.340 2.696
199 H HIS 31 H HIS 31 -2.333 8.252 1.565
200 HA HIS 31 HA HIS 31 -0.280 8.342 3.519
201 HB2 HIS 31 1HB HIS 31 -1.769 6.609 3.896
202 HB3 HIS 31 2HB HIS 31 -1.854 6.171 2.192
203 HD1 HIS 31 HD1 HIS 31 0.358 5.771 5.217
204 HD2 HIS 31 HD2 HIS 31 -0.082 4.219 1.389
205 HE1 HIS 31 HE1 HIS 31 1.904 3.791 5.113
206 H ARG 32 H ARG 32 -0.371 6.885 0.265
207 HA ARG 32 HA ARG 32 2.172 5.911 0.077
208 HB2 ARG 32 1HB ARG 32 0.492 7.284 -2.020
209 HB3 ARG 32 2HB ARG 32 2.018 6.492 -2.391
210 HG2 ARG 32 1HG ARG 32 1.128 4.371 -1.597
211 HG3 ARG 32 2HG ARG 32 -0.396 5.158 -1.182
212 HD2 ARG 32 1HD ARG 32 -0.678 4.068 -3.290
213 HD3 ARG 32 2HD ARG 32 -0.629 5.806 -3.579
214 HE ARG 32 HE ARG 32 1.320 3.839 -4.422
215 HH11 ARG 32 1HH1 ARG 32 0.603 7.207 -3.912
216 HH12 ARG 32 2HH1 ARG 32 1.836 7.768 -4.994
217 HH21 ARG 32 1HH2 ARG 32 2.946 4.564 -5.848
218 HH22 ARG 32 2HH2 ARG 32 3.167 6.263 -6.095
219 H ARG 33 H ARG 33 1.228 9.197 0.340
220 HA ARG 33 HA ARG 33 3.262 10.570 -0.928
221 HB2 ARG 33 1HB ARG 33 1.859 11.202 1.672
222 HB3 ARG 33 2HB ARG 33 2.908 12.331 0.826
223 HG2 ARG 33 1HG ARG 33 1.418 12.278 -1.106
224 HG3 ARG 33 2HG ARG 33 0.368 11.135 -0.265
225 HD2 ARG 33 1HD ARG 33 -0.709 13.106 0.192
226 HD3 ARG 33 2HD ARG 33 0.363 12.994 1.588
227 HE ARG 33 HE ARG 33 1.666 14.407 -0.459
228 HH11 ARG 33 1HH1 ARG 33 -0.985 14.751 1.771
229 HH12 ARG 33 2HH1 ARG 33 -0.862 16.478 1.854
230 HH21 ARG 33 1HH2 ARG 33 1.838 16.680 -0.359
231 HH22 ARG 33 2HH2 ARG 33 0.744 17.573 0.641
232 H ILE 34 H ILE 34 3.307 8.876 2.145
233 HA ILE 34 HA ILE 34 5.767 9.879 3.098
234 HB ILE 34 HB ILE 34 5.776 8.038 4.649
235 HG12 ILE 34 1HG1 ILE 34 3.372 6.775 3.412
236 HG13 ILE 34 2HG1 ILE 34 4.944 6.449 2.689
237 HG21 ILE 34 1HG2 ILE 34 3.282 8.164 5.389
238 HG22 ILE 34 2HG2 ILE 34 4.281 9.616 5.416
239 HG23 ILE 34 3HG2 ILE 34 3.152 9.347 4.088
240 HD11 ILE 34 3HD1 ILE 34 3.899 5.695 5.373
241 HD12 ILE 34 1HD1 ILE 34 4.731 4.711 4.169
242 HD13 ILE 34 2HD1 ILE 34 5.636 5.880 5.131
243 H HIS 35 H HIS 35 4.973 7.489 0.727
244 HA HIS 35 HA HIS 35 7.559 6.215 0.757
245 HB2 HIS 35 1HB HIS 35 5.207 6.024 -1.128
246 HB3 HIS 35 2HB HIS 35 6.696 5.110 -1.346
247 HD1 HIS 35 HD1 HIS 35 6.970 3.004 0.010
248 HD2 HIS 35 HD2 HIS 35 3.706 5.278 1.209
249 HE1 HIS 35 HE1 HIS 35 5.706 1.561 1.636
250 H THR 36 H THR 36 6.264 9.049 -0.567
251 HA THR 36 HA THR 36 8.531 9.253 -2.442
252 HB THR 36 HB THR 36 6.152 9.165 -3.446
253 HG1 THR 36 HG1 THR 36 7.950 9.835 -4.659
254 HG21 THR 36 3HG2 THR 36 5.165 10.766 -1.834
255 HG22 THR 36 1HG2 THR 36 4.952 11.267 -3.511
256 HG23 THR 36 2HG2 THR 36 6.184 12.036 -2.511
257 H GLY 37 H GLY 37 9.801 11.036 -2.317
258 HA2 GLY 37 1HA GLY 37 9.026 13.069 -0.315
259 HA3 GLY 37 2HA GLY 37 10.678 12.515 -0.539
260 H TYR 38 H TYR 38 11.933 13.849 -1.641
261 HA TYR 38 HA TYR 38 10.690 15.882 -3.337
262 HB2 TYR 38 1HB TYR 38 12.914 16.982 -3.248
263 HB3 TYR 38 2HB TYR 38 12.217 16.723 -1.653
264 HD1 TYR 38 HD1 TYR 38 14.420 14.885 -4.059
265 HD2 TYR 38 HD2 TYR 38 13.659 15.983 -0.019
266 HE1 TYR 38 HE1 TYR 38 16.468 13.716 -3.362
267 HE2 TYR 38 HE2 TYR 38 15.705 14.818 0.689
268 HH TYR 38 HH TYR 38 17.719 13.057 -1.645
269 H ARG 39 H ARG 39 12.293 16.554 -5.219
270 HA ARG 39 HA ARG 39 12.468 14.211 -6.922
271 HB2 ARG 39 1HB ARG 39 13.227 16.094 -8.592
272 HB3 ARG 39 2HB ARG 39 11.537 15.934 -8.132
273 HG2 ARG 39 1HG ARG 39 13.295 17.739 -6.547
274 HG3 ARG 39 2HG ARG 39 12.718 18.266 -8.129
275 HD2 ARG 39 1HD ARG 39 10.755 17.115 -6.213
276 HD3 ARG 39 2HD ARG 39 11.348 18.750 -5.924
277 HE ARG 39 HE ARG 39 10.386 18.239 -8.604
278 HH11 ARG 39 1HH1 ARG 39 9.626 19.368 -5.399
279 HH12 ARG 39 2HH1 ARG 39 8.252 20.292 -5.909
280 HH21 ARG 39 1HH2 ARG 39 8.579 19.452 -9.288
281 HH22 ARG 39 2HH2 ARG 39 7.657 20.339 -8.121
282 HA PRO 40 HA PRO 40 16.802 13.593 -6.490
283 HB2 PRO 40 1HB PRO 40 17.318 12.388 -8.867
284 HB3 PRO 40 2HB PRO 40 16.471 11.579 -7.544
285 HG2 PRO 40 1HG PRO 40 15.349 12.894 -9.989
286 HG3 PRO 40 2HG PRO 40 14.890 11.356 -9.235
287 HD2 PRO 40 1HD PRO 40 13.471 13.635 -8.877
288 HD3 PRO 40 2HD PRO 40 13.604 12.386 -7.623
289 H SER 41 H SER 41 18.801 14.391 -7.180
290 HA SER 41 HA SER 41 18.631 16.601 -9.117
291 HB2 SER 41 1HB SER 41 19.209 17.355 -6.875
292 HB3 SER 41 2HB SER 41 20.534 16.194 -6.797
293 HG SER 41 HG SER 41 21.610 17.878 -7.509
294 H GLY 42 H GLY 42 19.367 15.983 -11.045
295 HA2 GLY 42 1HA GLY 42 21.858 15.597 -11.859
296 HA3 GLY 42 2HA GLY 42 21.498 13.996 -11.228
297 HA PRO 43 HA PRO 43 20.308 14.069 -15.702
298 HB2 PRO 43 1HB PRO 43 21.435 11.668 -16.278
299 HB3 PRO 43 2HB PRO 43 22.337 13.187 -16.322
300 HG2 PRO 43 1HG PRO 43 22.236 11.105 -14.173
301 HG3 PRO 43 2HG PRO 43 23.635 11.988 -14.811
302 HD2 PRO 43 1HD PRO 43 22.423 12.663 -12.485
303 HD3 PRO 43 2HD PRO 43 23.187 13.863 -13.548
304 H SER 44 H SER 44 19.182 12.224 -16.926
305 HA SER 44 HA SER 44 16.972 11.352 -15.351
306 HB2 SER 44 1HB SER 44 16.194 10.290 -17.456
307 HB3 SER 44 2HB SER 44 16.652 11.978 -17.684
308 HG SER 44 HG SER 44 18.007 11.298 -19.122
309 H SER 45 H SER 45 19.570 9.620 -17.059
310 HA SER 45 HA SER 45 18.832 7.035 -16.289
311 HB2 SER 45 1HB SER 45 21.356 8.305 -17.253
312 HB3 SER 45 2HB SER 45 21.450 6.681 -16.572
313 HG SER 45 HG SER 45 20.751 6.014 -18.426
314 H GLY 46 H GLY 46 18.232 7.089 -14.096
315 HA2 GLY 46 1HA GLY 46 19.770 6.061 -12.199
316 HA3 GLY 46 2HA GLY 46 20.286 7.740 -12.126
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -18.980 -29.948 -4.424
2 HA2 GLY 1 1HA GLY 1 -18.689 -27.904 -5.901
3 HA3 GLY 1 2HA GLY 1 -20.069 -27.269 -5.017
4 H SER 2 H SER 2 -18.910 -25.498 -4.238
5 HA SER 2 HA SER 2 -17.418 -26.025 -1.833
6 HB2 SER 2 1HB SER 2 -15.708 -26.161 -3.699
7 HB3 SER 2 2HB SER 2 -16.024 -24.454 -4.007
8 HG SER 2 HG SER 2 -14.306 -25.369 -2.336
9 H SER 3 H SER 3 -18.029 -24.566 -0.388
10 HA SER 3 HA SER 3 -19.020 -21.966 -1.358
11 HB2 SER 3 1HB SER 3 -20.463 -21.907 0.625
12 HB3 SER 3 2HB SER 3 -20.768 -23.363 -0.323
13 HG SER 3 HG SER 3 -20.108 -24.535 1.293
14 H GLY 4 H GLY 4 -18.343 -20.094 -0.370
15 HA2 GLY 4 1HA GLY 4 -16.164 -20.416 1.602
16 HA3 GLY 4 2HA GLY 4 -16.155 -19.189 0.343
17 H SER 5 H SER 5 -15.721 -18.205 2.720
18 HA SER 5 HA SER 5 -18.276 -17.364 3.880
19 HB2 SER 5 1HB SER 5 -16.841 -16.419 5.704
20 HB3 SER 5 2HB SER 5 -16.668 -18.162 5.497
21 HG SER 5 HG SER 5 -14.618 -17.528 5.529
22 H SER 6 H SER 6 -19.088 -15.390 3.584
23 HA SER 6 HA SER 6 -18.114 -13.639 1.649
24 HB2 SER 6 1HB SER 6 -20.057 -13.208 3.922
25 HB3 SER 6 2HB SER 6 -19.719 -11.974 2.708
26 HG SER 6 HG SER 6 -21.022 -14.442 2.435
27 H GLY 7 H GLY 7 -17.951 -13.357 5.198
28 HA2 GLY 7 1HA GLY 7 -16.693 -11.960 6.535
29 HA3 GLY 7 2HA GLY 7 -15.396 -12.443 5.452
30 H SER 8 H SER 8 -18.015 -10.087 5.840
31 HA SER 8 HA SER 8 -17.093 -8.335 3.808
32 HB2 SER 8 1HB SER 8 -18.951 -7.930 6.155
33 HB3 SER 8 2HB SER 8 -18.605 -6.663 4.978
34 HG SER 8 HG SER 8 -19.331 -9.108 3.914
35 H GLY 9 H GLY 9 -14.833 -8.163 4.260
36 HA2 GLY 9 1HA GLY 9 -14.260 -5.981 6.104
37 HA3 GLY 9 2HA GLY 9 -13.434 -7.498 6.423
38 H GLU 10 H GLU 10 -12.890 -8.351 3.843
39 HA GLU 10 HA GLU 10 -10.475 -7.410 3.219
40 HB2 GLU 10 1HB GLU 10 -12.578 -8.038 1.139
41 HB3 GLU 10 2HB GLU 10 -10.839 -8.052 0.881
42 HG2 GLU 10 1HG GLU 10 -12.421 -9.892 2.657
43 HG3 GLU 10 2HG GLU 10 -11.618 -10.301 1.142
44 H LYS 11 H LYS 11 -9.513 -5.649 2.381
45 HA LYS 11 HA LYS 11 -11.203 -3.327 1.850
46 HB2 LYS 11 1HB LYS 11 -8.275 -3.675 2.451
47 HB3 LYS 11 2HB LYS 11 -8.910 -2.152 1.841
48 HG2 LYS 11 1HG LYS 11 -8.863 -1.871 4.149
49 HG3 LYS 11 2HG LYS 11 -10.549 -2.259 3.800
50 HD2 LYS 11 1HD LYS 11 -10.019 -3.579 5.662
51 HD3 LYS 11 2HD LYS 11 -9.899 -4.686 4.292
52 HE2 LYS 11 1HE LYS 11 -7.436 -4.216 4.251
53 HE3 LYS 11 2HE LYS 11 -7.644 -3.328 5.759
54 HZ1 LYS 11 3HZ LYS 11 -7.822 -5.209 6.931
55 HZ2 LYS 11 1HZ LYS 11 -7.096 -5.951 5.595
56 HZ3 LYS 11 2HZ LYS 11 -8.778 -5.983 5.768
57 HA PRO 12 HA PRO 12 -10.663 -3.522 -2.514
58 HB2 PRO 12 1HB PRO 12 -11.056 -0.905 -3.119
59 HB3 PRO 12 2HB PRO 12 -12.369 -1.988 -2.644
60 HG2 PRO 12 1HG PRO 12 -10.873 0.012 -0.994
61 HG3 PRO 12 2HG PRO 12 -12.613 -0.326 -1.036
62 HD2 PRO 12 1HD PRO 12 -10.989 -1.287 0.906
63 HD3 PRO 12 2HD PRO 12 -12.415 -2.173 0.329
64 H TYR 13 H TYR 13 -8.950 -0.941 -0.777
65 HA TYR 13 HA TYR 13 -6.786 -1.129 -2.766
66 HB2 TYR 13 1HB TYR 13 -7.167 1.165 -0.853
67 HB3 TYR 13 2HB TYR 13 -6.231 1.127 -2.343
68 HD1 TYR 13 HD1 TYR 13 -7.343 1.293 -4.517
69 HD2 TYR 13 HD2 TYR 13 -9.554 1.525 -0.889
70 HE1 TYR 13 HE1 TYR 13 -9.261 2.212 -5.752
71 HE2 TYR 13 HE2 TYR 13 -11.479 2.444 -2.115
72 HH TYR 13 HH TYR 13 -11.475 3.852 -4.755
73 H LYS 14 H LYS 14 -4.667 -1.344 -2.085
74 HA LYS 14 HA LYS 14 -4.037 -1.443 0.737
75 HB2 LYS 14 1HB LYS 14 -4.914 -3.687 0.393
76 HB3 LYS 14 2HB LYS 14 -3.856 -3.916 -0.994
77 HG2 LYS 14 1HG LYS 14 -2.607 -3.254 1.616
78 HG3 LYS 14 2HG LYS 14 -3.262 -4.878 1.388
79 HD2 LYS 14 1HD LYS 14 -1.921 -4.728 -0.878
80 HD3 LYS 14 2HD LYS 14 -0.984 -3.530 0.018
81 HE2 LYS 14 1HE LYS 14 -0.992 -5.410 1.865
82 HE3 LYS 14 2HE LYS 14 -1.273 -6.460 0.477
83 HZ1 LYS 14 3HZ LYS 14 1.145 -5.760 1.306
84 HZ2 LYS 14 1HZ LYS 14 0.866 -4.512 0.198
85 HZ3 LYS 14 2HZ LYS 14 0.796 -6.124 -0.308
86 H CYS 15 H CYS 15 -2.317 -0.141 0.705
87 HA CYS 15 HA CYS 15 -0.602 0.347 -1.411
88 HB2 CYS 15 1HB CYS 15 -0.788 1.707 0.684
89 HB3 CYS 15 2HB CYS 15 0.148 0.469 1.515
90 H SER 16 H SER 16 0.940 -0.790 -2.376
91 HA SER 16 HA SER 16 1.733 -3.349 -1.267
92 HB2 SER 16 1HB SER 16 2.071 -1.990 -3.919
93 HB3 SER 16 2HB SER 16 3.097 -3.364 -3.507
94 HG SER 16 HG SER 16 0.257 -3.353 -3.481
95 H GLU 17 H GLU 17 3.047 -0.162 -1.696
96 HA GLU 17 HA GLU 17 5.768 -0.613 -1.590
97 HB2 GLU 17 1HB GLU 17 4.015 1.609 -0.623
98 HB3 GLU 17 2HB GLU 17 5.722 1.626 -0.205
99 HG2 GLU 17 1HG GLU 17 4.969 1.199 -3.046
100 HG3 GLU 17 2HG GLU 17 4.816 2.818 -2.366
101 H CYS 18 H CYS 18 3.552 -0.164 1.162
102 HA CYS 18 HA CYS 18 5.618 -1.311 2.916
103 HB2 CYS 18 1HB CYS 18 4.255 -0.279 4.771
104 HB3 CYS 18 2HB CYS 18 5.012 0.871 3.673
105 H GLY 19 H GLY 19 2.190 -1.457 2.065
106 HA2 GLY 19 1HA GLY 19 1.136 -3.632 1.889
107 HA3 GLY 19 2HA GLY 19 2.116 -4.157 3.250
108 H LYS 20 H LYS 20 0.293 -1.144 2.960
109 HA LYS 20 HA LYS 20 -1.258 -1.963 5.321
110 HB2 LYS 20 1HB LYS 20 -0.435 0.738 4.274
111 HB3 LYS 20 2HB LYS 20 -1.710 0.560 5.471
112 HG2 LYS 20 1HG LYS 20 -0.190 -0.410 7.043
113 HG3 LYS 20 2HG LYS 20 1.092 -0.476 5.831
114 HD2 LYS 20 1HD LYS 20 0.668 2.110 5.697
115 HD3 LYS 20 2HD LYS 20 -0.014 1.870 7.308
116 HE2 LYS 20 1HE LYS 20 2.105 0.776 7.986
117 HE3 LYS 20 2HE LYS 20 2.773 1.157 6.400
118 HZ1 LYS 20 3HZ LYS 20 2.069 3.559 7.046
119 HZ2 LYS 20 1HZ LYS 20 3.512 2.912 7.646
120 HZ3 LYS 20 2HZ LYS 20 2.136 2.962 8.628
121 H ALA 21 H ALA 21 -3.495 -1.076 5.441
122 HA ALA 21 HA ALA 21 -4.752 -0.886 2.785
123 HB1 ALA 21 3HB ALA 21 -6.022 -2.366 5.070
124 HB2 ALA 21 1HB ALA 21 -6.467 -2.385 3.364
125 HB3 ALA 21 2HB ALA 21 -4.976 -3.164 3.895
126 H PHE 22 H PHE 22 -6.471 0.505 2.599
127 HA PHE 22 HA PHE 22 -7.240 2.000 5.014
128 HB2 PHE 22 1HB PHE 22 -6.798 3.209 2.277
129 HB3 PHE 22 2HB PHE 22 -7.248 4.072 3.744
130 HD1 PHE 22 HD2 PHE 22 -5.623 4.441 5.520
131 HD2 PHE 22 HD1 PHE 22 -4.542 2.495 1.892
132 HE1 PHE 22 HE2 PHE 22 -3.244 4.790 6.045
133 HE2 PHE 22 HE1 PHE 22 -2.162 2.840 2.412
134 HZ PHE 22 HZ PHE 22 -1.510 3.990 4.490
135 H HIS 23 H HIS 23 -9.360 2.819 5.059
136 HA HIS 23 HA HIS 23 -11.311 1.183 3.859
137 HB2 HIS 23 1HB HIS 23 -11.725 2.309 5.977
138 HB3 HIS 23 2HB HIS 23 -11.593 3.882 5.197
139 HD1 HIS 23 HD1 HIS 23 -14.017 4.430 6.007
140 HD2 HIS 23 HD2 HIS 23 -13.747 1.235 3.365
141 HE1 HIS 23 HE1 HIS 23 -16.368 4.003 5.226
142 H ARG 24 H ARG 24 -10.360 4.545 3.189
143 HA ARG 24 HA ARG 24 -11.764 4.333 0.607
144 HB2 ARG 24 1HB ARG 24 -11.128 6.811 2.220
145 HB3 ARG 24 2HB ARG 24 -11.923 6.794 0.652
146 HG2 ARG 24 1HG ARG 24 -13.843 5.719 1.542
147 HG3 ARG 24 2HG ARG 24 -13.029 5.403 3.075
148 HD2 ARG 24 1HD ARG 24 -13.253 8.221 2.159
149 HD3 ARG 24 2HD ARG 24 -14.706 7.430 2.768
150 HE ARG 24 HE ARG 24 -12.367 8.200 4.288
151 HH11 ARG 24 1HH1 ARG 24 -15.277 6.293 4.179
152 HH12 ARG 24 2HH1 ARG 24 -15.401 6.145 5.901
153 HH21 ARG 24 1HH2 ARG 24 -12.519 8.013 6.557
154 HH22 ARG 24 2HH2 ARG 24 -13.832 7.125 7.252
155 H HIS 25 H HIS 25 -10.755 5.189 -1.250
156 HA HIS 25 HA HIS 25 -8.013 4.681 -1.481
157 HB2 HIS 25 1HB HIS 25 -8.248 5.197 -3.713
158 HB3 HIS 25 2HB HIS 25 -9.930 4.896 -3.286
159 HD1 HIS 25 HD1 HIS 25 -11.546 6.852 -3.424
160 HD2 HIS 25 HD2 HIS 25 -7.596 7.936 -4.119
161 HE1 HIS 25 HE1 HIS 25 -11.639 9.210 -4.294
162 H THR 26 H THR 26 -9.773 7.725 -1.090
163 HA THR 26 HA THR 26 -7.855 9.604 -1.499
164 HB THR 26 HB THR 26 -8.918 10.971 0.291
165 HG1 THR 26 HG1 THR 26 -10.846 9.889 1.243
166 HG21 THR 26 3HG2 THR 26 -10.217 9.778 -2.005
167 HG22 THR 26 1HG2 THR 26 -10.280 11.439 -1.417
168 HG23 THR 26 2HG2 THR 26 -11.386 10.230 -0.764
169 H HIS 27 H HIS 27 -8.328 7.782 1.522
170 HA HIS 27 HA HIS 27 -6.241 8.951 2.973
171 HB2 HIS 27 1HB HIS 27 -7.597 6.269 3.151
172 HB3 HIS 27 2HB HIS 27 -6.291 6.712 4.246
173 HD1 HIS 27 HD1 HIS 27 -9.208 6.174 5.210
174 HD2 HIS 27 HD2 HIS 27 -7.608 9.926 4.418
175 HE1 HIS 27 HE1 HIS 27 -10.597 7.792 6.543
176 H LEU 28 H LEU 28 -6.270 6.031 0.951
177 HA LEU 28 HA LEU 28 -3.660 5.189 1.380
178 HB2 LEU 28 1HB LEU 28 -5.052 3.721 0.218
179 HB3 LEU 28 2HB LEU 28 -5.525 4.951 -0.952
180 HG LEU 28 HG LEU 28 -2.981 4.812 -1.626
181 HD11 LEU 28 1HD1 LEU 28 -3.081 2.841 0.331
182 HD12 LEU 28 2HD1 LEU 28 -1.794 3.106 -0.844
183 HD13 LEU 28 3HD1 LEU 28 -3.087 1.960 -1.197
184 HD21 LEU 28 3HD2 LEU 28 -4.947 2.663 -2.408
185 HD22 LEU 28 1HD2 LEU 28 -3.578 3.246 -3.355
186 HD23 LEU 28 2HD2 LEU 28 -4.949 4.310 -3.042
187 H ASN 29 H ASN 29 -4.866 7.279 -1.246
188 HA ASN 29 HA ASN 29 -2.455 7.818 -2.487
189 HB2 ASN 29 1HB ASN 29 -4.745 8.486 -3.291
190 HB3 ASN 29 2HB ASN 29 -4.695 9.818 -2.140
191 HD21 ASN 29 1HD2 ASN 29 -5.056 10.836 -4.374
192 HD22 ASN 29 2HD2 ASN 29 -3.630 11.384 -5.180
193 H GLU 30 H GLU 30 -4.058 9.857 -0.034
194 HA GLU 30 HA GLU 30 -2.021 11.711 0.293
195 HB2 GLU 30 1HB GLU 30 -4.265 10.752 2.004
196 HB3 GLU 30 2HB GLU 30 -3.025 11.747 2.754
197 HG2 GLU 30 1HG GLU 30 -4.686 13.246 2.097
198 HG3 GLU 30 2HG GLU 30 -3.428 13.402 0.873
199 H HIS 31 H HIS 31 -2.189 8.435 1.327
200 HA HIS 31 HA HIS 31 -0.152 8.696 3.360
201 HB2 HIS 31 1HB HIS 31 -1.546 6.959 3.933
202 HB3 HIS 31 2HB HIS 31 -1.807 6.473 2.261
203 HD1 HIS 31 HD1 HIS 31 0.410 5.896 5.186
204 HD2 HIS 31 HD2 HIS 31 0.157 4.732 1.206
205 HE1 HIS 31 HE1 HIS 31 2.002 3.964 4.948
206 H ARG 32 H ARG 32 -0.391 7.189 0.144
207 HA ARG 32 HA ARG 32 1.981 6.046 -0.264
208 HB2 ARG 32 1HB ARG 32 0.720 8.036 -2.160
209 HB3 ARG 32 2HB ARG 32 1.940 6.849 -2.603
210 HG2 ARG 32 1HG ARG 32 0.306 5.088 -1.777
211 HG3 ARG 32 2HG ARG 32 -0.900 6.376 -1.765
212 HD2 ARG 32 1HD ARG 32 -0.024 6.778 -4.208
213 HD3 ARG 32 2HD ARG 32 0.503 5.101 -4.066
214 HE ARG 32 HE ARG 32 -2.066 4.970 -3.281
215 HH11 ARG 32 1HH1 ARG 32 -0.526 6.403 -6.055
216 HH12 ARG 32 2HH1 ARG 32 -1.891 6.169 -7.097
217 HH21 ARG 32 1HH2 ARG 32 -3.869 4.656 -4.642
218 HH22 ARG 32 2HH2 ARG 32 -3.792 5.175 -6.292
219 H ARG 33 H ARG 33 1.484 9.489 0.123
220 HA ARG 33 HA ARG 33 3.819 10.573 -0.798
221 HB2 ARG 33 1HB ARG 33 2.167 11.241 1.627
222 HB3 ARG 33 2HB ARG 33 3.588 12.183 1.197
223 HG2 ARG 33 1HG ARG 33 1.577 13.237 0.360
224 HG3 ARG 33 2HG ARG 33 2.589 12.691 -0.978
225 HD2 ARG 33 1HD ARG 33 1.189 10.734 -1.275
226 HD3 ARG 33 2HD ARG 33 0.215 11.192 0.122
227 HE ARG 33 HE ARG 33 -0.073 12.154 -2.527
228 HH11 ARG 33 1HH1 ARG 33 -0.266 13.159 0.801
229 HH12 ARG 33 2HH1 ARG 33 -1.412 14.420 0.490
230 HH21 ARG 33 1HH2 ARG 33 -1.581 13.812 -2.949
231 HH22 ARG 33 2HH2 ARG 33 -2.159 14.791 -1.644
232 H ILE 34 H ILE 34 3.300 9.140 2.417
233 HA ILE 34 HA ILE 34 5.681 9.544 3.639
234 HB ILE 34 HB ILE 34 5.391 7.488 4.857
235 HG12 ILE 34 1HG1 ILE 34 3.133 6.592 3.124
236 HG13 ILE 34 2HG1 ILE 34 4.776 6.280 2.572
237 HG21 ILE 34 1HG2 ILE 34 3.087 7.741 5.610
238 HG22 ILE 34 2HG2 ILE 34 3.838 9.314 5.344
239 HG23 ILE 34 3HG2 ILE 34 2.705 8.666 4.158
240 HD11 ILE 34 3HD1 ILE 34 4.035 4.354 3.728
241 HD12 ILE 34 1HD1 ILE 34 5.200 5.167 4.773
242 HD13 ILE 34 2HD1 ILE 34 3.472 5.312 5.097
243 H HIS 35 H HIS 35 5.127 7.606 0.828
244 HA HIS 35 HA HIS 35 7.713 6.291 0.998
245 HB2 HIS 35 1HB HIS 35 5.532 6.193 -1.094
246 HB3 HIS 35 2HB HIS 35 7.033 5.276 -1.188
247 HD1 HIS 35 HD1 HIS 35 7.351 3.940 1.388
248 HD2 HIS 35 HD2 HIS 35 3.584 4.536 -0.258
249 HE1 HIS 35 HE1 HIS 35 5.862 2.233 2.481
250 H THR 36 H THR 36 6.154 8.899 -0.750
251 HA THR 36 HA THR 36 8.498 9.313 -2.431
252 HB THR 36 HB THR 36 7.196 11.087 -3.509
253 HG1 THR 36 HG1 THR 36 4.881 11.145 -2.765
254 HG21 THR 36 3HG2 THR 36 6.725 8.383 -3.666
255 HG22 THR 36 1HG2 THR 36 6.108 9.597 -4.785
256 HG23 THR 36 2HG2 THR 36 5.107 9.048 -3.442
257 H GLY 37 H GLY 37 10.001 9.912 -0.797
258 HA2 GLY 37 1HA GLY 37 9.715 11.844 1.149
259 HA3 GLY 37 2HA GLY 37 11.230 11.493 0.331
260 H TYR 38 H TYR 38 10.430 14.048 1.277
261 HA TYR 38 HA TYR 38 9.376 15.664 -0.793
262 HB2 TYR 38 1HB TYR 38 9.243 16.594 1.357
263 HB3 TYR 38 2HB TYR 38 10.928 16.239 1.717
264 HD1 TYR 38 HD1 TYR 38 8.684 18.460 -0.207
265 HD2 TYR 38 HD2 TYR 38 12.649 17.787 1.183
266 HE1 TYR 38 HE1 TYR 38 9.301 20.744 -0.879
267 HE2 TYR 38 HE2 TYR 38 13.276 20.070 0.515
268 HH TYR 38 HH TYR 38 12.009 21.811 -1.497
269 H ARG 39 H ARG 39 10.419 17.100 -2.201
270 HA ARG 39 HA ARG 39 13.204 16.365 -2.814
271 HB2 ARG 39 1HB ARG 39 10.878 17.131 -4.533
272 HB3 ARG 39 2HB ARG 39 12.509 17.470 -5.096
273 HG2 ARG 39 1HG ARG 39 13.087 15.160 -5.055
274 HG3 ARG 39 2HG ARG 39 11.584 14.743 -4.229
275 HD2 ARG 39 1HD ARG 39 10.454 15.812 -6.311
276 HD3 ARG 39 2HD ARG 39 12.023 15.557 -7.074
277 HE ARG 39 HE ARG 39 11.535 13.335 -7.211
278 HH11 ARG 39 1HH1 ARG 39 9.485 14.779 -4.796
279 HH12 ARG 39 2HH1 ARG 39 8.554 13.340 -4.539
280 HH21 ARG 39 1HH2 ARG 39 10.316 11.435 -6.881
281 HH22 ARG 39 2HH2 ARG 39 9.028 11.438 -5.724
282 HA PRO 40 HA PRO 40 14.483 20.458 -1.825
283 HB2 PRO 40 1HB PRO 40 16.751 20.576 -3.313
284 HB3 PRO 40 2HB PRO 40 16.626 19.628 -1.827
285 HG2 PRO 40 1HG PRO 40 16.413 18.724 -4.673
286 HG3 PRO 40 2HG PRO 40 17.265 17.961 -3.318
287 HD2 PRO 40 1HD PRO 40 14.839 17.118 -4.173
288 HD3 PRO 40 2HD PRO 40 15.338 17.020 -2.473
289 H SER 41 H SER 41 15.288 22.492 -2.979
290 HA SER 41 HA SER 41 13.396 23.153 -5.022
291 HB2 SER 41 1HB SER 41 15.457 24.623 -3.451
292 HB3 SER 41 2HB SER 41 14.929 25.340 -4.973
293 HG SER 41 HG SER 41 13.684 25.962 -3.085
294 H GLY 42 H GLY 42 16.914 22.741 -4.901
295 HA2 GLY 42 1HA GLY 42 17.035 21.896 -7.616
296 HA3 GLY 42 2HA GLY 42 17.583 23.559 -7.461
297 HA PRO 43 HA PRO 43 21.588 22.247 -6.276
298 HB2 PRO 43 1HB PRO 43 22.264 24.006 -4.322
299 HB3 PRO 43 2HB PRO 43 22.155 24.459 -6.027
300 HG2 PRO 43 1HG PRO 43 20.162 24.859 -3.830
301 HG3 PRO 43 2HG PRO 43 20.661 25.984 -5.106
302 HD2 PRO 43 1HD PRO 43 18.364 24.556 -5.240
303 HD3 PRO 43 2HD PRO 43 19.299 24.998 -6.683
304 H SER 44 H SER 44 21.196 20.198 -5.390
305 HA SER 44 HA SER 44 21.086 20.131 -2.445
306 HB2 SER 44 1HB SER 44 19.838 18.054 -2.559
307 HB3 SER 44 2HB SER 44 18.999 19.277 -3.513
308 HG SER 44 HG SER 44 19.114 17.356 -4.680
309 H SER 45 H SER 45 23.065 19.657 -1.752
310 HA SER 45 HA SER 45 25.197 18.633 -3.064
311 HB2 SER 45 1HB SER 45 25.313 19.459 -0.755
312 HB3 SER 45 2HB SER 45 24.460 18.023 -0.190
313 HG SER 45 HG SER 45 27.056 18.214 -1.288
314 H GLY 46 H GLY 46 23.075 16.594 -1.037
315 HA2 GLY 46 1HA GLY 46 22.715 14.319 -1.074
316 HA3 GLY 46 2HA GLY 46 22.558 14.569 -2.807
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -21.988 -19.161 12.286
2 HA2 GLY 1 1HA GLY 1 -19.834 -20.271 13.640
3 HA3 GLY 1 2HA GLY 1 -20.985 -21.576 13.395
4 H SER 2 H SER 2 -18.418 -19.883 12.065
5 HA SER 2 HA SER 2 -18.892 -21.154 9.456
6 HB2 SER 2 1HB SER 2 -19.327 -18.686 9.347
7 HB3 SER 2 2HB SER 2 -17.647 -18.418 9.810
8 HG SER 2 HG SER 2 -16.979 -19.309 7.910
9 H SER 3 H SER 3 -17.136 -22.092 8.502
10 HA SER 3 HA SER 3 -15.066 -23.058 10.032
11 HB2 SER 3 1HB SER 3 -13.968 -23.686 7.945
12 HB3 SER 3 2HB SER 3 -15.707 -23.948 7.808
13 HG SER 3 HG SER 3 -14.471 -22.768 6.046
14 H GLY 4 H GLY 4 -13.052 -22.407 10.601
15 HA2 GLY 4 1HA GLY 4 -11.169 -21.075 10.748
16 HA3 GLY 4 2HA GLY 4 -11.736 -20.187 9.342
17 H SER 5 H SER 5 -10.856 -18.357 10.621
18 HA SER 5 HA SER 5 -12.840 -17.398 12.579
19 HB2 SER 5 1HB SER 5 -11.011 -16.035 13.558
20 HB3 SER 5 2HB SER 5 -10.679 -17.765 13.645
21 HG SER 5 HG SER 5 -9.762 -16.396 11.399
22 H SER 6 H SER 6 -14.028 -15.755 11.899
23 HA SER 6 HA SER 6 -13.226 -14.260 9.542
24 HB2 SER 6 1HB SER 6 -15.593 -15.175 10.023
25 HB3 SER 6 2HB SER 6 -15.751 -13.801 11.117
26 HG SER 6 HG SER 6 -16.458 -12.996 9.244
27 H GLY 7 H GLY 7 -12.280 -12.332 9.594
28 HA2 GLY 7 1HA GLY 7 -12.879 -10.140 11.094
29 HA3 GLY 7 2HA GLY 7 -11.767 -11.039 12.116
30 H SER 8 H SER 8 -11.955 -10.230 8.645
31 HA SER 8 HA SER 8 -9.167 -9.291 8.834
32 HB2 SER 8 1HB SER 8 -10.541 -10.694 6.530
33 HB3 SER 8 2HB SER 8 -8.930 -9.981 6.444
34 HG SER 8 HG SER 8 -9.425 -11.761 8.526
35 H GLY 9 H GLY 9 -12.007 -9.021 6.682
36 HA2 GLY 9 1HA GLY 9 -13.087 -7.113 5.930
37 HA3 GLY 9 2HA GLY 9 -11.995 -6.148 6.912
38 H GLU 10 H GLU 10 -11.968 -8.182 3.987
39 HA GLU 10 HA GLU 10 -9.632 -7.075 2.885
40 HB2 GLU 10 1HB GLU 10 -10.239 -8.173 0.847
41 HB3 GLU 10 2HB GLU 10 -10.715 -9.220 2.178
42 HG2 GLU 10 1HG GLU 10 -13.026 -8.418 1.958
43 HG3 GLU 10 2HG GLU 10 -12.534 -7.425 0.587
44 H LYS 11 H LYS 11 -9.245 -5.191 1.929
45 HA LYS 11 HA LYS 11 -11.548 -3.559 1.081
46 HB2 LYS 11 1HB LYS 11 -8.849 -2.508 1.929
47 HB3 LYS 11 2HB LYS 11 -10.327 -1.589 1.675
48 HG2 LYS 11 1HG LYS 11 -10.345 -3.730 3.733
49 HG3 LYS 11 2HG LYS 11 -9.488 -2.228 4.087
50 HD2 LYS 11 1HD LYS 11 -11.564 -1.665 4.853
51 HD3 LYS 11 2HD LYS 11 -11.731 -1.160 3.169
52 HE2 LYS 11 1HE LYS 11 -12.577 -3.591 2.803
53 HE3 LYS 11 2HE LYS 11 -12.841 -3.574 4.546
54 HZ1 LYS 11 3HZ LYS 11 -14.393 -2.383 2.488
55 HZ2 LYS 11 1HZ LYS 11 -13.909 -1.216 3.614
56 HZ3 LYS 11 2HZ LYS 11 -14.763 -2.583 4.126
57 HA PRO 12 HA PRO 12 -9.967 -3.473 -3.016
58 HB2 PRO 12 1HB PRO 12 -10.809 -1.024 -3.833
59 HB3 PRO 12 2HB PRO 12 -11.907 -2.391 -3.606
60 HG2 PRO 12 1HG PRO 12 -11.338 -0.094 -1.773
61 HG3 PRO 12 2HG PRO 12 -12.894 -0.838 -2.185
62 HD2 PRO 12 1HD PRO 12 -11.582 -1.386 0.120
63 HD3 PRO 12 2HD PRO 12 -12.591 -2.586 -0.713
64 H TYR 13 H TYR 13 -9.012 -1.092 -0.701
65 HA TYR 13 HA TYR 13 -6.768 -0.273 -2.423
66 HB2 TYR 13 1HB TYR 13 -7.764 1.157 0.045
67 HB3 TYR 13 2HB TYR 13 -6.623 1.758 -1.154
68 HD1 TYR 13 HD1 TYR 13 -7.495 2.117 -3.539
69 HD2 TYR 13 HD2 TYR 13 -10.050 1.590 -0.178
70 HE1 TYR 13 HE1 TYR 13 -9.345 3.144 -4.792
71 HE2 TYR 13 HE2 TYR 13 -11.908 2.615 -1.422
72 HH TYR 13 HH TYR 13 -12.515 3.668 -3.287
73 H LYS 14 H LYS 14 -4.752 -0.793 -1.853
74 HA LYS 14 HA LYS 14 -4.006 -1.277 0.884
75 HB2 LYS 14 1HB LYS 14 -5.014 -3.439 0.284
76 HB3 LYS 14 2HB LYS 14 -3.932 -3.561 -1.097
77 HG2 LYS 14 1HG LYS 14 -2.801 -3.249 1.647
78 HG3 LYS 14 2HG LYS 14 -3.384 -4.824 1.104
79 HD2 LYS 14 1HD LYS 14 -1.917 -4.301 -1.003
80 HD3 LYS 14 2HD LYS 14 -1.094 -3.194 0.098
81 HE2 LYS 14 1HE LYS 14 -0.377 -4.915 1.488
82 HE3 LYS 14 2HE LYS 14 -1.601 -6.036 0.893
83 HZ1 LYS 14 3HZ LYS 14 0.381 -6.752 -0.067
84 HZ2 LYS 14 1HZ LYS 14 0.903 -5.183 -0.425
85 HZ3 LYS 14 2HZ LYS 14 -0.364 -5.874 -1.307
86 H CYS 15 H CYS 15 -2.150 -0.212 1.004
87 HA CYS 15 HA CYS 15 -0.520 0.369 -1.244
88 HB2 CYS 15 1HB CYS 15 -0.667 1.826 0.753
89 HB3 CYS 15 2HB CYS 15 0.158 0.590 1.697
90 H SER 16 H SER 16 0.868 -0.927 -2.228
91 HA SER 16 HA SER 16 1.679 -3.420 -1.040
92 HB2 SER 16 1HB SER 16 1.135 -3.180 -3.468
93 HB3 SER 16 2HB SER 16 2.584 -2.193 -3.655
94 HG SER 16 HG SER 16 2.327 -4.920 -3.370
95 H GLU 17 H GLU 17 3.104 -0.284 -1.629
96 HA GLU 17 HA GLU 17 5.791 -0.753 -1.461
97 HB2 GLU 17 1HB GLU 17 4.261 1.485 -0.123
98 HB3 GLU 17 2HB GLU 17 5.995 1.479 -0.414
99 HG2 GLU 17 1HG GLU 17 3.980 1.231 -2.624
100 HG3 GLU 17 2HG GLU 17 4.578 2.783 -2.043
101 H CYS 18 H CYS 18 3.675 -0.116 1.342
102 HA CYS 18 HA CYS 18 5.699 -1.373 3.062
103 HB2 CYS 18 1HB CYS 18 4.484 -0.260 4.931
104 HB3 CYS 18 2HB CYS 18 5.135 0.873 3.750
105 H GLY 19 H GLY 19 2.266 -1.421 2.235
106 HA2 GLY 19 1HA GLY 19 1.175 -3.595 2.098
107 HA3 GLY 19 2HA GLY 19 2.100 -4.078 3.512
108 H LYS 20 H LYS 20 0.417 -1.011 3.079
109 HA LYS 20 HA LYS 20 -1.194 -1.649 5.445
110 HB2 LYS 20 1HB LYS 20 0.283 0.473 5.208
111 HB3 LYS 20 2HB LYS 20 -1.012 1.068 4.177
112 HG2 LYS 20 1HG LYS 20 -2.544 1.132 5.925
113 HG3 LYS 20 2HG LYS 20 -1.588 0.037 6.928
114 HD2 LYS 20 1HD LYS 20 0.173 1.839 7.011
115 HD3 LYS 20 2HD LYS 20 -1.004 2.916 6.256
116 HE2 LYS 20 1HE LYS 20 -1.248 3.349 8.531
117 HE3 LYS 20 2HE LYS 20 -2.560 2.223 8.183
118 HZ1 LYS 20 3HZ LYS 20 -1.334 1.683 10.230
119 HZ2 LYS 20 1HZ LYS 20 0.070 1.441 9.317
120 HZ3 LYS 20 2HZ LYS 20 -1.270 0.434 9.090
121 H ALA 21 H ALA 21 -3.441 -0.744 5.466
122 HA ALA 21 HA ALA 21 -4.693 -0.796 2.807
123 HB1 ALA 21 3HB ALA 21 -6.438 -2.259 3.553
124 HB2 ALA 21 1HB ALA 21 -4.886 -3.025 3.895
125 HB3 ALA 21 2HB ALA 21 -5.800 -2.260 5.197
126 H PHE 22 H PHE 22 -6.456 0.526 2.543
127 HA PHE 22 HA PHE 22 -7.347 2.069 4.880
128 HB2 PHE 22 1HB PHE 22 -6.709 3.234 2.161
129 HB3 PHE 22 2HB PHE 22 -7.346 4.123 3.541
130 HD1 PHE 22 HD2 PHE 22 -5.931 4.448 5.552
131 HD2 PHE 22 HD1 PHE 22 -4.404 2.757 1.957
132 HE1 PHE 22 HE2 PHE 22 -3.638 4.906 6.316
133 HE2 PHE 22 HE1 PHE 22 -2.108 3.211 2.715
134 HZ PHE 22 HZ PHE 22 -1.722 4.288 4.896
135 H HIS 23 H HIS 23 -9.496 2.482 4.982
136 HA HIS 23 HA HIS 23 -11.261 0.957 3.393
137 HB2 HIS 23 1HB HIS 23 -12.977 1.784 4.742
138 HB3 HIS 23 2HB HIS 23 -11.570 1.873 5.799
139 HD1 HIS 23 HD1 HIS 23 -14.387 3.754 5.193
140 HD2 HIS 23 HD2 HIS 23 -10.346 4.721 5.193
141 HE1 HIS 23 HE1 HIS 23 -14.291 6.242 5.543
142 H ARG 24 H ARG 24 -10.152 4.270 3.214
143 HA ARG 24 HA ARG 24 -11.830 4.660 0.823
144 HB2 ARG 24 1HB ARG 24 -10.793 6.679 2.815
145 HB3 ARG 24 2HB ARG 24 -11.533 7.119 1.281
146 HG2 ARG 24 1HG ARG 24 -13.028 5.322 3.121
147 HG3 ARG 24 2HG ARG 24 -12.932 7.044 3.497
148 HD2 ARG 24 1HD ARG 24 -14.874 6.885 2.231
149 HD3 ARG 24 2HD ARG 24 -13.666 7.393 1.052
150 HE ARG 24 HE ARG 24 -13.908 5.381 -0.021
151 HH11 ARG 24 1HH1 ARG 24 -15.400 5.204 3.120
152 HH12 ARG 24 2HH1 ARG 24 -16.142 3.666 2.825
153 HH21 ARG 24 1HH2 ARG 24 -14.880 3.356 -0.421
154 HH22 ARG 24 2HH2 ARG 24 -15.845 2.616 0.810
155 H HIS 25 H HIS 25 -10.899 5.768 -0.963
156 HA HIS 25 HA HIS 25 -8.231 5.010 -1.524
157 HB2 HIS 25 1HB HIS 25 -9.574 5.137 -3.421
158 HB3 HIS 25 2HB HIS 25 -10.290 6.670 -2.935
159 HD1 HIS 25 HD1 HIS 25 -9.149 8.794 -3.711
160 HD2 HIS 25 HD2 HIS 25 -6.981 5.362 -4.596
161 HE1 HIS 25 HE1 HIS 25 -7.303 9.542 -5.246
162 H THR 26 H THR 26 -9.724 8.144 -0.794
163 HA THR 26 HA THR 26 -7.663 9.878 -1.168
164 HB THR 26 HB THR 26 -8.536 11.177 0.802
165 HG1 THR 26 HG1 THR 26 -10.598 9.261 0.981
166 HG21 THR 26 3HG2 THR 26 -10.307 11.947 -0.408
167 HG22 THR 26 1HG2 THR 26 -10.937 10.330 -0.722
168 HG23 THR 26 2HG2 THR 26 -9.566 10.938 -1.650
169 H HIS 27 H HIS 27 -8.162 7.826 1.687
170 HA HIS 27 HA HIS 27 -5.939 8.741 3.148
171 HB2 HIS 27 1HB HIS 27 -7.686 6.325 3.238
172 HB3 HIS 27 2HB HIS 27 -6.170 6.284 4.133
173 HD1 HIS 27 HD1 HIS 27 -6.679 6.741 6.502
174 HD2 HIS 27 HD2 HIS 27 -8.923 9.138 3.957
175 HE1 HIS 27 HE1 HIS 27 -8.010 8.256 8.005
176 H LEU 28 H LEU 28 -6.310 6.004 0.919
177 HA LEU 28 HA LEU 28 -3.744 4.934 1.196
178 HB2 LEU 28 1HB LEU 28 -5.366 3.635 0.092
179 HB3 LEU 28 2HB LEU 28 -5.721 4.918 -1.063
180 HG LEU 28 HG LEU 28 -3.253 4.519 -1.827
181 HD11 LEU 28 1HD1 LEU 28 -3.841 2.178 -0.104
182 HD12 LEU 28 2HD1 LEU 28 -2.313 2.996 -0.425
183 HD13 LEU 28 3HD1 LEU 28 -2.989 1.890 -1.621
184 HD21 LEU 28 3HD2 LEU 28 -4.253 2.432 -3.147
185 HD22 LEU 28 1HD2 LEU 28 -4.742 4.092 -3.485
186 HD23 LEU 28 2HD2 LEU 28 -5.753 3.066 -2.468
187 H ASN 29 H ASN 29 -4.949 7.093 -1.379
188 HA ASN 29 HA ASN 29 -2.547 7.531 -2.678
189 HB2 ASN 29 1HB ASN 29 -4.811 8.269 -3.463
190 HB3 ASN 29 2HB ASN 29 -4.728 9.593 -2.305
191 HD21 ASN 29 1HD2 ASN 29 -4.227 11.428 -3.234
192 HD22 ASN 29 2HD2 ASN 29 -3.128 11.644 -4.549
193 H GLU 30 H GLU 30 -4.002 9.518 -0.101
194 HA GLU 30 HA GLU 30 -1.940 11.377 0.134
195 HB2 GLU 30 1HB GLU 30 -4.100 10.403 1.946
196 HB3 GLU 30 2HB GLU 30 -2.820 11.391 2.637
197 HG2 GLU 30 1HG GLU 30 -3.376 12.959 0.607
198 HG3 GLU 30 2HG GLU 30 -4.922 12.115 0.665
199 H HIS 31 H HIS 31 -2.424 8.308 1.854
200 HA HIS 31 HA HIS 31 -0.239 8.441 3.569
201 HB2 HIS 31 1HB HIS 31 -1.636 6.676 4.069
202 HB3 HIS 31 2HB HIS 31 -1.831 6.212 2.381
203 HD1 HIS 31 HD1 HIS 31 0.182 5.529 5.395
204 HD2 HIS 31 HD2 HIS 31 0.325 4.641 1.339
205 HE1 HIS 31 HE1 HIS 31 1.855 3.664 5.173
206 H ARG 32 H ARG 32 -0.423 6.995 0.321
207 HA ARG 32 HA ARG 32 2.062 5.971 -0.002
208 HB2 ARG 32 1HB ARG 32 0.318 7.496 -1.914
209 HB3 ARG 32 2HB ARG 32 1.885 6.885 -2.425
210 HG2 ARG 32 1HG ARG 32 1.237 4.651 -2.120
211 HG3 ARG 32 2HG ARG 32 -0.184 5.108 -1.178
212 HD2 ARG 32 1HD ARG 32 -0.914 4.457 -3.361
213 HD3 ARG 32 2HD ARG 32 -1.100 6.204 -3.218
214 HE ARG 32 HE ARG 32 1.344 5.925 -4.350
215 HH11 ARG 32 1HH1 ARG 32 -1.819 4.695 -5.126
216 HH12 ARG 32 2HH1 ARG 32 -1.522 4.639 -6.832
217 HH21 ARG 32 1HH2 ARG 32 1.748 5.856 -6.594
218 HH22 ARG 32 2HH2 ARG 32 0.508 5.299 -7.666
219 H ARG 33 H ARG 33 1.262 9.303 0.408
220 HA ARG 33 HA ARG 33 3.328 10.668 -0.754
221 HB2 ARG 33 1HB ARG 33 1.946 11.101 1.887
222 HB3 ARG 33 2HB ARG 33 3.158 12.220 1.278
223 HG2 ARG 33 1HG ARG 33 1.825 12.761 -0.615
224 HG3 ARG 33 2HG ARG 33 0.685 11.463 -0.253
225 HD2 ARG 33 1HD ARG 33 0.131 12.618 1.874
226 HD3 ARG 33 2HD ARG 33 1.179 13.947 1.382
227 HE ARG 33 HE ARG 33 -1.483 13.465 0.510
228 HH11 ARG 33 1HH1 ARG 33 1.602 14.695 -0.531
229 HH12 ARG 33 2HH1 ARG 33 0.925 15.746 -1.731
230 HH21 ARG 33 1HH2 ARG 33 -2.387 14.843 -1.067
231 HH22 ARG 33 2HH2 ARG 33 -1.344 15.830 -2.035
232 H ILE 34 H ILE 34 3.372 9.135 2.458
233 HA ILE 34 HA ILE 34 5.932 9.808 3.243
234 HB ILE 34 HB ILE 34 5.895 7.932 4.732
235 HG12 ILE 34 1HG1 ILE 34 3.612 6.853 3.063
236 HG13 ILE 34 2HG1 ILE 34 5.253 6.215 3.079
237 HG21 ILE 34 1HG2 ILE 34 4.436 9.215 5.827
238 HG22 ILE 34 2HG2 ILE 34 3.559 9.617 4.351
239 HG23 ILE 34 3HG2 ILE 34 3.190 8.126 5.217
240 HD11 ILE 34 3HD1 ILE 34 4.291 4.771 4.529
241 HD12 ILE 34 1HD1 ILE 34 4.742 6.034 5.674
242 HD13 ILE 34 2HD1 ILE 34 3.087 5.940 5.071
243 H HIS 35 H HIS 35 4.914 7.544 0.827
244 HA HIS 35 HA HIS 35 7.531 6.284 0.663
245 HB2 HIS 35 1HB HIS 35 4.992 5.875 -0.927
246 HB3 HIS 35 2HB HIS 35 6.480 4.972 -1.193
247 HD1 HIS 35 HD1 HIS 35 7.212 4.433 1.777
248 HD2 HIS 35 HD2 HIS 35 3.437 3.892 0.130
249 HE1 HIS 35 HE1 HIS 35 6.063 2.763 3.265
250 H THR 36 H THR 36 5.855 8.920 -0.703
251 HA THR 36 HA THR 36 7.970 9.217 -2.729
252 HB THR 36 HB THR 36 6.281 10.362 -4.191
253 HG1 THR 36 HG1 THR 36 4.412 9.135 -2.420
254 HG21 THR 36 3HG2 THR 36 5.025 8.086 -4.664
255 HG22 THR 36 1HG2 THR 36 6.221 7.457 -3.532
256 HG23 THR 36 2HG2 THR 36 6.745 8.268 -5.008
257 H GLY 37 H GLY 37 9.138 10.638 -1.427
258 HA2 GLY 37 1HA GLY 37 8.350 13.370 -1.587
259 HA3 GLY 37 2HA GLY 37 8.184 12.768 0.056
260 H TYR 38 H TYR 38 10.010 12.302 1.265
261 HA TYR 38 HA TYR 38 12.590 12.984 0.023
262 HB2 TYR 38 1HB TYR 38 13.225 14.062 2.193
263 HB3 TYR 38 2HB TYR 38 11.951 14.905 1.319
264 HD1 TYR 38 HD2 TYR 38 9.528 14.448 2.045
265 HD2 TYR 38 HD1 TYR 38 12.909 13.426 4.418
266 HE1 TYR 38 HE2 TYR 38 8.092 14.352 4.040
267 HE2 TYR 38 HE1 TYR 38 11.482 13.326 6.419
268 HH TYR 38 HH TYR 38 8.473 12.919 6.513
269 H ARG 39 H ARG 39 14.470 12.153 1.227
270 HA ARG 39 HA ARG 39 13.837 9.553 2.452
271 HB2 ARG 39 1HB ARG 39 16.572 10.178 1.446
272 HB3 ARG 39 2HB ARG 39 15.709 8.646 1.471
273 HG2 ARG 39 1HG ARG 39 15.164 10.941 -0.402
274 HG3 ARG 39 2HG ARG 39 16.036 9.460 -0.802
275 HD2 ARG 39 1HD ARG 39 13.833 8.326 0.094
276 HD3 ARG 39 2HD ARG 39 13.129 9.889 -0.319
277 HE ARG 39 HE ARG 39 13.224 9.263 -2.503
278 HH11 ARG 39 1HH1 ARG 39 15.610 7.442 -0.738
279 HH12 ARG 39 2HH1 ARG 39 16.092 6.497 -2.108
280 HH21 ARG 39 1HH2 ARG 39 13.850 8.025 -4.314
281 HH22 ARG 39 2HH2 ARG 39 15.091 6.830 -4.142
282 HA PRO 40 HA PRO 40 15.542 12.091 5.912
283 HB2 PRO 40 1HB PRO 40 13.882 11.042 7.786
284 HB3 PRO 40 2HB PRO 40 13.430 12.408 6.759
285 HG2 PRO 40 1HG PRO 40 12.738 9.509 6.470
286 HG3 PRO 40 2HG PRO 40 11.703 10.933 6.257
287 HD2 PRO 40 1HD PRO 40 12.794 9.600 4.169
288 HD3 PRO 40 2HD PRO 40 12.499 11.350 4.134
289 H SER 41 H SER 41 14.744 8.658 5.690
290 HA SER 41 HA SER 41 17.310 7.949 6.798
291 HB2 SER 41 1HB SER 41 15.724 8.316 8.780
292 HB3 SER 41 2HB SER 41 14.880 6.871 8.224
293 HG SER 41 HG SER 41 17.271 6.063 8.254
294 H GLY 42 H GLY 42 18.038 6.288 5.652
295 HA2 GLY 42 1HA GLY 42 16.661 4.990 3.648
296 HA3 GLY 42 2HA GLY 42 18.091 4.339 4.435
297 HA PRO 43 HA PRO 43 14.348 1.613 5.230
298 HB2 PRO 43 1HB PRO 43 15.368 -0.628 4.085
299 HB3 PRO 43 2HB PRO 43 14.439 0.575 3.182
300 HG2 PRO 43 1HG PRO 43 17.405 0.210 3.352
301 HG3 PRO 43 2HG PRO 43 16.400 0.556 1.933
302 HD2 PRO 43 1HD PRO 43 17.814 2.474 3.219
303 HD3 PRO 43 2HD PRO 43 16.263 2.804 2.422
304 H SER 44 H SER 44 14.409 1.017 7.300
305 HA SER 44 HA SER 44 16.756 -0.486 8.257
306 HB2 SER 44 1HB SER 44 16.607 1.829 9.203
307 HB3 SER 44 2HB SER 44 15.057 1.388 9.919
308 HG SER 44 HG SER 44 16.284 0.768 11.518
309 H SER 45 H SER 45 13.309 0.154 8.869
310 HA SER 45 HA SER 45 12.949 -2.210 10.430
311 HB2 SER 45 1HB SER 45 11.476 -0.345 10.819
312 HB3 SER 45 2HB SER 45 10.973 -0.325 9.129
313 HG SER 45 HG SER 45 9.942 -2.292 9.445
314 H GLY 46 H GLY 46 13.727 -3.914 9.144
315 HA2 GLY 46 1HA GLY 46 13.321 -5.764 7.823
316 HA3 GLY 46 2HA GLY 46 11.749 -5.083 7.430
Start of MODEL 14
1 H1 GLY 1 H GLY 1 2.877 -26.994 -4.121
2 HA2 GLY 1 1HA GLY 1 1.793 -28.792 -2.041
3 HA3 GLY 1 2HA GLY 1 2.600 -27.280 -1.652
4 H SER 2 H SER 2 0.377 -27.224 -0.495
5 HA SER 2 HA SER 2 -1.303 -25.451 -2.066
6 HB2 SER 2 1HB SER 2 -2.193 -28.132 -1.068
7 HB3 SER 2 2HB SER 2 -3.347 -26.799 -1.105
8 HG SER 2 HG SER 2 -3.530 -27.705 -3.072
9 H SER 3 H SER 3 -2.403 -23.961 -0.842
10 HA SER 3 HA SER 3 -2.456 -24.248 2.056
11 HB2 SER 3 1HB SER 3 -1.156 -21.851 0.742
12 HB3 SER 3 2HB SER 3 -1.342 -22.130 2.473
13 HG SER 3 HG SER 3 0.148 -23.732 2.385
14 H GLY 4 H GLY 4 -3.854 -22.714 3.108
15 HA2 GLY 4 1HA GLY 4 -6.025 -21.873 1.341
16 HA3 GLY 4 2HA GLY 4 -6.107 -22.016 3.090
17 H SER 5 H SER 5 -7.055 -19.806 1.587
18 HA SER 5 HA SER 5 -5.189 -17.704 2.476
19 HB2 SER 5 1HB SER 5 -5.696 -17.992 -0.064
20 HB3 SER 5 2HB SER 5 -7.244 -17.244 0.332
21 HG SER 5 HG SER 5 -5.948 -15.525 1.310
22 H SER 6 H SER 6 -5.961 -17.065 4.399
23 HA SER 6 HA SER 6 -8.623 -17.141 5.237
24 HB2 SER 6 1HB SER 6 -7.900 -15.604 7.044
25 HB3 SER 6 2HB SER 6 -6.779 -16.946 6.822
26 HG SER 6 HG SER 6 -5.493 -15.195 6.900
27 H GLY 7 H GLY 7 -6.731 -14.419 3.941
28 HA2 GLY 7 1HA GLY 7 -8.861 -13.293 2.515
29 HA3 GLY 7 2HA GLY 7 -8.793 -12.505 4.084
30 H SER 8 H SER 8 -7.899 -12.133 0.997
31 HA SER 8 HA SER 8 -5.268 -10.981 1.542
32 HB2 SER 8 1HB SER 8 -5.249 -12.279 -0.436
33 HB3 SER 8 2HB SER 8 -6.774 -11.595 -0.997
34 HG SER 8 HG SER 8 -4.665 -9.828 -0.578
35 H GLY 9 H GLY 9 -5.198 -8.943 2.207
36 HA2 GLY 9 1HA GLY 9 -5.906 -6.778 2.630
37 HA3 GLY 9 2HA GLY 9 -5.912 -6.711 0.874
38 H GLU 10 H GLU 10 -7.913 -7.480 3.690
39 HA GLU 10 HA GLU 10 -10.354 -7.970 2.738
40 HB2 GLU 10 1HB GLU 10 -11.233 -6.326 4.543
41 HB3 GLU 10 2HB GLU 10 -10.272 -7.711 5.045
42 HG2 GLU 10 1HG GLU 10 -8.298 -5.970 4.779
43 HG3 GLU 10 2HG GLU 10 -9.605 -4.824 5.071
44 H LYS 11 H LYS 11 -8.978 -4.692 2.871
45 HA LYS 11 HA LYS 11 -11.190 -3.630 1.323
46 HB2 LYS 11 1HB LYS 11 -8.873 -2.494 2.803
47 HB3 LYS 11 2HB LYS 11 -9.520 -1.547 1.470
48 HG2 LYS 11 1HG LYS 11 -10.501 -0.902 3.610
49 HG3 LYS 11 2HG LYS 11 -11.715 -1.545 2.501
50 HD2 LYS 11 1HD LYS 11 -11.542 -3.733 3.644
51 HD3 LYS 11 2HD LYS 11 -10.408 -3.015 4.792
52 HE2 LYS 11 1HE LYS 11 -12.155 -1.390 5.439
53 HE3 LYS 11 2HE LYS 11 -13.280 -2.201 4.351
54 HZ1 LYS 11 3HZ LYS 11 -11.916 -3.825 6.366
55 HZ2 LYS 11 1HZ LYS 11 -13.475 -3.981 5.727
56 HZ3 LYS 11 2HZ LYS 11 -13.153 -2.798 6.891
57 HA PRO 12 HA PRO 12 -9.324 -3.997 -2.639
58 HB2 PRO 12 1HB PRO 12 -10.466 -1.881 -3.900
59 HB3 PRO 12 2HB PRO 12 -11.355 -3.356 -3.503
60 HG2 PRO 12 1HG PRO 12 -11.290 -0.736 -2.057
61 HG3 PRO 12 2HG PRO 12 -12.677 -1.781 -2.417
62 HD2 PRO 12 1HD PRO 12 -11.480 -1.734 0.012
63 HD3 PRO 12 2HD PRO 12 -12.224 -3.200 -0.658
64 H TYR 13 H TYR 13 -8.657 -1.462 -0.532
65 HA TYR 13 HA TYR 13 -6.641 -0.335 -2.361
66 HB2 TYR 13 1HB TYR 13 -7.831 0.957 0.101
67 HB3 TYR 13 2HB TYR 13 -6.713 1.702 -1.035
68 HD1 TYR 13 HD2 TYR 13 -10.172 0.625 -0.487
69 HD2 TYR 13 HD1 TYR 13 -7.472 2.480 -3.201
70 HE1 TYR 13 HE2 TYR 13 -12.076 1.437 -1.816
71 HE2 TYR 13 HE1 TYR 13 -9.368 3.299 -4.537
72 HH TYR 13 HH TYR 13 -12.438 3.459 -3.464
73 H LYS 14 H LYS 14 -4.802 -1.419 -1.990
74 HA LYS 14 HA LYS 14 -3.819 -1.507 0.782
75 HB2 LYS 14 1HB LYS 14 -4.524 -3.757 0.179
76 HB3 LYS 14 2HB LYS 14 -3.570 -3.689 -1.297
77 HG2 LYS 14 1HG LYS 14 -2.139 -4.866 0.010
78 HG3 LYS 14 2HG LYS 14 -1.612 -3.232 0.423
79 HD2 LYS 14 1HD LYS 14 -2.947 -3.259 2.431
80 HD3 LYS 14 2HD LYS 14 -3.643 -4.821 1.991
81 HE2 LYS 14 1HE LYS 14 -0.681 -4.540 2.250
82 HE3 LYS 14 2HE LYS 14 -1.671 -4.685 3.701
83 HZ1 LYS 14 3HZ LYS 14 -0.830 -6.712 1.945
84 HZ2 LYS 14 1HZ LYS 14 -2.520 -6.641 1.912
85 HZ3 LYS 14 2HZ LYS 14 -1.711 -6.861 3.381
86 H CYS 15 H CYS 15 -2.155 -0.154 0.879
87 HA CYS 15 HA CYS 15 -0.715 0.900 -1.226
88 HB2 CYS 15 1HB CYS 15 -0.696 1.795 1.083
89 HB3 CYS 15 2HB CYS 15 0.298 0.432 1.587
90 H SER 16 H SER 16 0.601 -0.001 -2.651
91 HA SER 16 HA SER 16 1.776 -2.602 -2.113
92 HB2 SER 16 1HB SER 16 0.660 -2.007 -4.307
93 HB3 SER 16 2HB SER 16 2.035 -0.953 -4.633
94 HG SER 16 HG SER 16 2.045 -3.269 -5.412
95 H GLU 17 H GLU 17 2.801 -0.464 -0.554
96 HA GLU 17 HA GLU 17 5.574 -0.396 -1.544
97 HB2 GLU 17 1HB GLU 17 4.149 1.793 -0.022
98 HB3 GLU 17 2HB GLU 17 5.843 1.812 -0.492
99 HG2 GLU 17 1HG GLU 17 3.637 1.571 -2.507
100 HG3 GLU 17 2HG GLU 17 4.213 3.131 -1.924
101 H CYS 18 H CYS 18 3.496 -0.173 1.328
102 HA CYS 18 HA CYS 18 5.701 -1.308 2.918
103 HB2 CYS 18 1HB CYS 18 4.522 -0.347 4.893
104 HB3 CYS 18 2HB CYS 18 5.066 0.872 3.744
105 H GLY 19 H GLY 19 2.161 -1.357 2.538
106 HA2 GLY 19 1HA GLY 19 1.250 -3.675 2.238
107 HA3 GLY 19 2HA GLY 19 2.189 -4.089 3.664
108 H LYS 20 H LYS 20 0.288 -1.159 3.128
109 HA LYS 20 HA LYS 20 -1.378 -1.933 5.430
110 HB2 LYS 20 1HB LYS 20 -0.303 0.692 4.489
111 HB3 LYS 20 2HB LYS 20 -1.827 0.669 5.365
112 HG2 LYS 20 1HG LYS 20 -0.800 -0.289 7.286
113 HG3 LYS 20 2HG LYS 20 0.706 -0.572 6.409
114 HD2 LYS 20 1HD LYS 20 1.309 1.649 6.462
115 HD3 LYS 20 2HD LYS 20 -0.359 2.208 6.603
116 HE2 LYS 20 1HE LYS 20 0.422 2.603 8.729
117 HE3 LYS 20 2HE LYS 20 -0.257 0.987 8.914
118 HZ1 LYS 20 3HZ LYS 20 2.601 1.467 8.297
119 HZ2 LYS 20 1HZ LYS 20 1.878 0.026 8.810
120 HZ3 LYS 20 2HZ LYS 20 2.015 1.330 9.878
121 H ALA 21 H ALA 21 -3.621 -1.370 5.391
122 HA ALA 21 HA ALA 21 -4.710 -0.962 2.683
123 HB1 ALA 21 3HB ALA 21 -5.144 -3.167 4.534
124 HB2 ALA 21 1HB ALA 21 -6.644 -2.425 3.977
125 HB3 ALA 21 2HB ALA 21 -5.482 -3.053 2.807
126 H PHE 22 H PHE 22 -6.418 0.414 2.489
127 HA PHE 22 HA PHE 22 -7.496 1.588 4.963
128 HB2 PHE 22 1HB PHE 22 -6.775 3.096 2.441
129 HB3 PHE 22 2HB PHE 22 -7.506 3.792 3.884
130 HD1 PHE 22 HD2 PHE 22 -6.204 4.007 5.953
131 HD2 PHE 22 HD1 PHE 22 -4.445 2.609 2.338
132 HE1 PHE 22 HE2 PHE 22 -3.966 4.429 6.883
133 HE2 PHE 22 HE1 PHE 22 -2.204 3.028 3.263
134 HZ PHE 22 HZ PHE 22 -1.962 3.940 5.538
135 H HIS 23 H HIS 23 -9.590 2.694 4.651
136 HA HIS 23 HA HIS 23 -11.296 1.085 2.934
137 HB2 HIS 23 1HB HIS 23 -11.719 1.786 5.427
138 HB3 HIS 23 2HB HIS 23 -12.322 3.274 4.705
139 HD1 HIS 23 HD1 HIS 23 -14.013 1.022 6.253
140 HD2 HIS 23 HD2 HIS 23 -13.849 1.653 2.149
141 HE1 HIS 23 HE1 HIS 23 -16.138 0.038 5.335
142 H ARG 24 H ARG 24 -10.453 4.493 3.408
143 HA ARG 24 HA ARG 24 -11.916 5.172 0.957
144 HB2 ARG 24 1HB ARG 24 -10.922 6.802 3.280
145 HB3 ARG 24 2HB ARG 24 -11.363 7.565 1.758
146 HG2 ARG 24 1HG ARG 24 -13.226 7.686 3.250
147 HG3 ARG 24 2HG ARG 24 -13.614 6.549 1.957
148 HD2 ARG 24 1HD ARG 24 -14.336 5.638 4.071
149 HD3 ARG 24 2HD ARG 24 -12.986 4.687 3.452
150 HE ARG 24 HE ARG 24 -11.837 6.549 5.093
151 HH11 ARG 24 1HH1 ARG 24 -14.283 4.098 5.453
152 HH12 ARG 24 2HH1 ARG 24 -13.932 3.809 7.125
153 HH21 ARG 24 1HH2 ARG 24 -11.365 6.177 7.294
154 HH22 ARG 24 2HH2 ARG 24 -12.273 4.992 8.171
155 H HIS 25 H HIS 25 -10.833 5.424 -0.875
156 HA HIS 25 HA HIS 25 -8.154 5.012 -1.258
157 HB2 HIS 25 1HB HIS 25 -9.656 5.010 -3.132
158 HB3 HIS 25 2HB HIS 25 -10.062 6.705 -2.877
159 HD1 HIS 25 HD1 HIS 25 -8.375 8.468 -3.712
160 HD2 HIS 25 HD2 HIS 25 -7.227 4.543 -4.450
161 HE1 HIS 25 HE1 HIS 25 -6.459 8.621 -5.334
162 H THR 26 H THR 26 -9.762 8.175 -0.968
163 HA THR 26 HA THR 26 -7.781 9.947 -1.316
164 HB THR 26 HB THR 26 -8.748 11.357 0.485
165 HG1 THR 26 HG1 THR 26 -10.744 10.280 1.432
166 HG21 THR 26 3HG2 THR 26 -11.235 10.395 -0.632
167 HG22 THR 26 1HG2 THR 26 -9.969 10.459 -1.857
168 HG23 THR 26 2HG2 THR 26 -10.379 11.906 -0.937
169 H HIS 27 H HIS 27 -8.214 7.999 1.616
170 HA HIS 27 HA HIS 27 -6.035 9.109 3.038
171 HB2 HIS 27 1HB HIS 27 -7.448 6.452 3.308
172 HB3 HIS 27 2HB HIS 27 -6.221 7.024 4.434
173 HD1 HIS 27 HD1 HIS 27 -9.149 6.449 5.305
174 HD2 HIS 27 HD2 HIS 27 -7.673 10.190 4.263
175 HE1 HIS 27 HE1 HIS 27 -10.669 8.108 6.428
176 H LEU 28 H LEU 28 -6.330 6.006 1.303
177 HA LEU 28 HA LEU 28 -3.768 5.068 1.593
178 HB2 LEU 28 1HB LEU 28 -5.317 3.650 0.562
179 HB3 LEU 28 2HB LEU 28 -5.729 4.847 -0.664
180 HG LEU 28 HG LEU 28 -3.192 4.460 -1.350
181 HD11 LEU 28 1HD1 LEU 28 -2.729 1.996 -1.150
182 HD12 LEU 28 2HD1 LEU 28 -4.002 1.933 0.069
183 HD13 LEU 28 3HD1 LEU 28 -2.568 2.923 0.342
184 HD21 LEU 28 3HD2 LEU 28 -5.062 2.303 -2.187
185 HD22 LEU 28 1HD2 LEU 28 -4.002 3.323 -3.160
186 HD23 LEU 28 2HD2 LEU 28 -5.508 3.978 -2.516
187 H ASN 29 H ASN 29 -4.949 7.113 -1.080
188 HA ASN 29 HA ASN 29 -2.504 7.434 -2.383
189 HB2 ASN 29 1HB ASN 29 -4.813 8.080 -3.225
190 HB3 ASN 29 2HB ASN 29 -4.660 9.544 -2.257
191 HD21 ASN 29 1HD2 ASN 29 -5.048 10.037 -4.764
192 HD22 ASN 29 2HD2 ASN 29 -3.601 10.489 -5.594
193 H GLU 30 H GLU 30 -4.091 9.725 -0.152
194 HA GLU 30 HA GLU 30 -2.008 11.553 0.031
195 HB2 GLU 30 1HB GLU 30 -4.244 10.799 1.882
196 HB3 GLU 30 2HB GLU 30 -3.033 11.966 2.394
197 HG2 GLU 30 1HG GLU 30 -3.579 13.410 0.542
198 HG3 GLU 30 2HG GLU 30 -4.716 12.219 -0.087
199 H HIS 31 H HIS 31 -2.158 8.367 1.191
200 HA HIS 31 HA HIS 31 -0.193 8.777 3.296
201 HB2 HIS 31 1HB HIS 31 -1.642 7.135 4.004
202 HB3 HIS 31 2HB HIS 31 -1.886 6.499 2.380
203 HD1 HIS 31 HD1 HIS 31 0.186 6.089 5.415
204 HD2 HIS 31 HD2 HIS 31 0.136 4.690 1.503
205 HE1 HIS 31 HE1 HIS 31 1.758 4.126 5.383
206 H ARG 32 H ARG 32 -0.432 6.936 0.256
207 HA ARG 32 HA ARG 32 1.988 5.777 0.046
208 HB2 ARG 32 1HB ARG 32 0.507 7.302 -2.099
209 HB3 ARG 32 2HB ARG 32 1.896 6.273 -2.424
210 HG2 ARG 32 1HG ARG 32 0.686 4.344 -1.560
211 HG3 ARG 32 2HG ARG 32 -0.703 5.371 -1.200
212 HD2 ARG 32 1HD ARG 32 -1.244 4.387 -3.246
213 HD3 ARG 32 2HD ARG 32 -0.648 5.987 -3.686
214 HE ARG 32 HE ARG 32 1.559 4.410 -3.828
215 HH11 ARG 32 1HH1 ARG 32 -1.626 4.259 -5.225
216 HH12 ARG 32 2HH1 ARG 32 -1.100 3.441 -6.659
217 HH21 ARG 32 1HH2 ARG 32 2.264 3.333 -5.711
218 HH22 ARG 32 2HH2 ARG 32 1.113 2.914 -6.934
219 H ARG 33 H ARG 33 1.374 9.186 0.061
220 HA ARG 33 HA ARG 33 3.618 10.225 -1.164
221 HB2 ARG 33 1HB ARG 33 2.019 11.179 1.201
222 HB3 ARG 33 2HB ARG 33 3.371 12.107 0.565
223 HG2 ARG 33 1HG ARG 33 1.307 12.947 -0.342
224 HG3 ARG 33 2HG ARG 33 2.253 12.190 -1.626
225 HD2 ARG 33 1HD ARG 33 0.178 10.629 -0.135
226 HD3 ARG 33 2HD ARG 33 -0.286 11.697 -1.458
227 HE ARG 33 HE ARG 33 0.957 9.145 -1.679
228 HH11 ARG 33 1HH1 ARG 33 0.747 12.287 -3.164
229 HH12 ARG 33 2HH1 ARG 33 1.157 11.711 -4.745
230 HH21 ARG 33 1HH2 ARG 33 1.498 8.374 -3.757
231 HH22 ARG 33 2HH2 ARG 33 1.583 9.485 -5.082
232 H ILE 34 H ILE 34 3.260 9.132 2.193
233 HA ILE 34 HA ILE 34 5.676 9.851 3.258
234 HB ILE 34 HB ILE 34 5.471 8.067 4.828
235 HG12 ILE 34 1HG1 ILE 34 3.401 6.769 3.054
236 HG13 ILE 34 2HG1 ILE 34 5.099 6.308 3.031
237 HG21 ILE 34 1HG2 ILE 34 3.232 8.371 5.618
238 HG22 ILE 34 2HG2 ILE 34 3.766 9.882 4.882
239 HG23 ILE 34 3HG2 ILE 34 2.671 8.813 4.006
240 HD11 ILE 34 3HD1 ILE 34 4.245 4.758 4.470
241 HD12 ILE 34 1HD1 ILE 34 4.731 6.016 5.605
242 HD13 ILE 34 2HD1 ILE 34 3.040 5.866 5.126
243 H HIS 35 H HIS 35 5.090 7.566 0.758
244 HA HIS 35 HA HIS 35 7.751 6.382 1.027
245 HB2 HIS 35 1HB HIS 35 5.508 5.714 -0.891
246 HB3 HIS 35 2HB HIS 35 7.020 4.826 -0.731
247 HD1 HIS 35 HD1 HIS 35 7.339 4.182 2.084
248 HD2 HIS 35 HD2 HIS 35 3.562 4.343 0.362
249 HE1 HIS 35 HE1 HIS 35 5.858 2.809 3.582
250 H THR 36 H THR 36 5.994 8.690 -0.843
251 HA THR 36 HA THR 36 8.319 8.993 -2.631
252 HB THR 36 HB THR 36 6.522 8.278 -4.013
253 HG1 THR 36 HG1 THR 36 6.711 9.882 -5.412
254 HG21 THR 36 3HG2 THR 36 4.819 10.434 -2.759
255 HG22 THR 36 1HG2 THR 36 4.700 8.711 -2.403
256 HG23 THR 36 2HG2 THR 36 4.321 9.306 -4.020
257 H GLY 37 H GLY 37 9.439 10.744 -2.083
258 HA2 GLY 37 1HA GLY 37 8.008 13.040 -0.927
259 HA3 GLY 37 2HA GLY 37 9.729 12.723 -0.766
260 H TYR 38 H TYR 38 7.269 13.455 -3.229
261 HA TYR 38 HA TYR 38 8.711 14.124 -5.390
262 HB2 TYR 38 1HB TYR 38 6.980 15.562 -6.065
263 HB3 TYR 38 2HB TYR 38 6.194 14.433 -4.968
264 HD1 TYR 38 HD2 TYR 38 6.147 15.238 -2.436
265 HD2 TYR 38 HD1 TYR 38 6.553 17.815 -5.798
266 HE1 TYR 38 HE2 TYR 38 5.320 17.120 -1.086
267 HE2 TYR 38 HE1 TYR 38 5.729 19.704 -4.456
268 HH TYR 38 HH TYR 38 5.000 19.331 -1.010
269 H ARG 39 H ARG 39 10.305 15.469 -5.919
270 HA ARG 39 HA ARG 39 11.252 17.369 -3.930
271 HB2 ARG 39 1HB ARG 39 12.471 16.600 -6.588
272 HB3 ARG 39 2HB ARG 39 13.248 17.536 -5.318
273 HG2 ARG 39 1HG ARG 39 13.333 15.652 -3.870
274 HG3 ARG 39 2HG ARG 39 12.304 14.706 -4.947
275 HD2 ARG 39 1HD ARG 39 15.078 15.712 -5.572
276 HD3 ARG 39 2HD ARG 39 14.648 14.053 -5.156
277 HE ARG 39 HE ARG 39 13.218 15.064 -7.430
278 HH11 ARG 39 1HH1 ARG 39 16.167 13.557 -6.355
279 HH12 ARG 39 2HH1 ARG 39 16.515 12.842 -7.893
280 HH21 ARG 39 1HH2 ARG 39 13.666 14.127 -9.460
281 HH22 ARG 39 2HH2 ARG 39 15.093 13.167 -9.659
282 HA PRO 40 HA PRO 40 9.520 20.915 -5.879
283 HB2 PRO 40 1HB PRO 40 11.230 22.802 -4.938
284 HB3 PRO 40 2HB PRO 40 9.999 22.033 -3.929
285 HG2 PRO 40 1HG PRO 40 12.922 21.424 -4.144
286 HG3 PRO 40 2HG PRO 40 11.905 21.531 -2.696
287 HD2 PRO 40 1HD PRO 40 12.600 19.166 -3.817
288 HD3 PRO 40 2HD PRO 40 11.050 19.410 -2.986
289 H SER 41 H SER 41 12.701 19.799 -6.500
290 HA SER 41 HA SER 41 13.395 21.822 -8.423
291 HB2 SER 41 1HB SER 41 15.358 20.456 -8.867
292 HB3 SER 41 2HB SER 41 15.109 20.573 -7.125
293 HG SER 41 HG SER 41 14.330 18.401 -8.781
294 H GLY 42 H GLY 42 14.008 21.138 -10.696
295 HA2 GLY 42 1HA GLY 42 12.770 18.907 -11.918
296 HA3 GLY 42 2HA GLY 42 11.738 20.319 -12.093
297 HA PRO 43 HA PRO 43 15.482 20.187 -15.132
298 HB2 PRO 43 1HB PRO 43 14.483 18.690 -17.164
299 HB3 PRO 43 2HB PRO 43 15.432 18.002 -15.841
300 HG2 PRO 43 1HG PRO 43 12.463 18.054 -16.215
301 HG3 PRO 43 2HG PRO 43 13.497 16.725 -15.659
302 HD2 PRO 43 1HD PRO 43 12.059 18.263 -13.956
303 HD3 PRO 43 2HD PRO 43 13.627 17.557 -13.513
304 H SER 44 H SER 44 12.114 20.761 -15.175
305 HA SER 44 HA SER 44 12.023 22.084 -17.727
306 HB2 SER 44 1HB SER 44 10.093 20.946 -16.308
307 HB3 SER 44 2HB SER 44 9.948 22.568 -15.631
308 HG SER 44 HG SER 44 9.178 21.635 -18.061
309 H SER 45 H SER 45 13.537 23.721 -17.710
310 HA SER 45 HA SER 45 12.728 26.216 -16.685
311 HB2 SER 45 1HB SER 45 14.232 26.628 -14.919
312 HB3 SER 45 2HB SER 45 13.620 25.008 -14.591
313 HG SER 45 HG SER 45 15.638 24.496 -16.022
314 H GLY 46 H GLY 46 14.184 27.949 -17.272
315 HA2 GLY 46 1HA GLY 46 16.647 27.530 -18.585
316 HA3 GLY 46 2HA GLY 46 15.364 27.611 -19.784
Start of MODEL 15
1 H1 GLY 1 H GLY 1 5.268 -26.107 -0.067
2 HA2 GLY 1 1HA GLY 1 4.461 -23.552 -0.006
3 HA3 GLY 1 2HA GLY 1 4.337 -23.909 -1.722
4 H SER 2 H SER 2 2.622 -25.050 -2.474
5 HA SER 2 HA SER 2 0.398 -25.640 -2.430
6 HB2 SER 2 1HB SER 2 0.041 -27.786 -1.228
7 HB3 SER 2 2HB SER 2 1.514 -27.790 -2.196
8 HG SER 2 HG SER 2 1.252 -28.222 0.417
9 H SER 3 H SER 3 0.772 -23.416 -0.820
10 HA SER 3 HA SER 3 -1.148 -23.942 1.351
11 HB2 SER 3 1HB SER 3 1.215 -22.050 1.408
12 HB3 SER 3 2HB SER 3 -0.031 -22.134 2.653
13 HG SER 3 HG SER 3 1.227 -24.515 1.948
14 H GLY 4 H GLY 4 0.314 -21.190 -0.400
15 HA2 GLY 4 1HA GLY 4 -0.929 -19.765 -1.858
16 HA3 GLY 4 2HA GLY 4 -2.399 -20.250 -1.026
17 H SER 5 H SER 5 -2.787 -17.904 -1.004
18 HA SER 5 HA SER 5 -1.426 -16.638 1.282
19 HB2 SER 5 1HB SER 5 -1.029 -15.680 -1.116
20 HB3 SER 5 2HB SER 5 -2.651 -15.014 -0.927
21 HG SER 5 HG SER 5 -1.900 -13.597 0.436
22 H SER 6 H SER 6 -2.682 -15.758 2.839
23 HA SER 6 HA SER 6 -5.503 -16.366 2.771
24 HB2 SER 6 1HB SER 6 -3.827 -16.516 4.790
25 HB3 SER 6 2HB SER 6 -4.219 -14.808 4.986
26 HG SER 6 HG SER 6 -5.837 -15.621 6.081
27 H GLY 7 H GLY 7 -7.066 -14.670 3.624
28 HA2 GLY 7 1HA GLY 7 -6.389 -11.968 2.693
29 HA3 GLY 7 2HA GLY 7 -7.787 -12.774 1.997
30 H SER 8 H SER 8 -7.951 -10.329 3.341
31 HA SER 8 HA SER 8 -9.000 -10.925 5.995
32 HB2 SER 8 1HB SER 8 -8.242 -8.443 4.523
33 HB3 SER 8 2HB SER 8 -9.448 -8.310 5.803
34 HG SER 8 HG SER 8 -7.856 -9.471 7.134
35 H GLY 9 H GLY 9 -10.130 -9.390 2.982
36 HA2 GLY 9 1HA GLY 9 -12.488 -10.583 2.576
37 HA3 GLY 9 2HA GLY 9 -12.884 -9.506 3.907
38 H GLU 10 H GLU 10 -13.002 -7.295 3.559
39 HA GLU 10 HA GLU 10 -13.224 -6.537 0.739
40 HB2 GLU 10 1HB GLU 10 -14.350 -4.469 1.778
41 HB3 GLU 10 2HB GLU 10 -15.214 -5.998 1.840
42 HG2 GLU 10 1HG GLU 10 -13.484 -5.253 4.137
43 HG3 GLU 10 2HG GLU 10 -15.033 -4.436 3.942
44 H LYS 11 H LYS 11 -10.965 -6.307 0.377
45 HA LYS 11 HA LYS 11 -9.876 -3.807 1.487
46 HB2 LYS 11 1HB LYS 11 -8.830 -5.995 2.364
47 HB3 LYS 11 2HB LYS 11 -8.130 -6.147 0.758
48 HG2 LYS 11 1HG LYS 11 -7.093 -3.903 1.074
49 HG3 LYS 11 2HG LYS 11 -7.673 -3.931 2.742
50 HD2 LYS 11 1HD LYS 11 -5.993 -6.155 1.623
51 HD3 LYS 11 2HD LYS 11 -5.263 -4.694 2.291
52 HE2 LYS 11 1HE LYS 11 -7.236 -6.405 3.792
53 HE3 LYS 11 2HE LYS 11 -5.489 -6.625 3.890
54 HZ1 LYS 11 3HZ LYS 11 -7.038 -4.228 4.702
55 HZ2 LYS 11 1HZ LYS 11 -5.349 -4.271 4.622
56 HZ3 LYS 11 2HZ LYS 11 -6.170 -5.276 5.707
57 HA PRO 12 HA PRO 12 -10.003 -3.691 -3.161
58 HB2 PRO 12 1HB PRO 12 -11.094 -1.209 -3.307
59 HB3 PRO 12 2HB PRO 12 -12.066 -2.679 -3.166
60 HG2 PRO 12 1HG PRO 12 -11.259 -0.730 -1.042
61 HG3 PRO 12 2HG PRO 12 -12.830 -1.507 -1.309
62 HD2 PRO 12 1HD PRO 12 -11.079 -2.370 0.567
63 HD3 PRO 12 2HD PRO 12 -12.173 -3.470 -0.296
64 H TYR 13 H TYR 13 -9.032 -1.313 -0.739
65 HA TYR 13 HA TYR 13 -6.930 -0.369 -2.573
66 HB2 TYR 13 1HB TYR 13 -7.825 1.113 -0.114
67 HB3 TYR 13 2HB TYR 13 -6.980 1.736 -1.526
68 HD1 TYR 13 HD1 TYR 13 -8.229 1.991 -3.684
69 HD2 TYR 13 HD2 TYR 13 -10.192 1.057 -0.027
70 HE1 TYR 13 HE1 TYR 13 -10.374 2.689 -4.664
71 HE2 TYR 13 HE2 TYR 13 -12.343 1.751 -0.997
72 HH TYR 13 HH TYR 13 -12.849 2.160 -4.244
73 H LYS 14 H LYS 14 -4.996 -1.177 -2.151
74 HA LYS 14 HA LYS 14 -4.114 -1.392 0.632
75 HB2 LYS 14 1HB LYS 14 -4.944 -3.630 -0.162
76 HB3 LYS 14 2HB LYS 14 -3.675 -3.603 -1.379
77 HG2 LYS 14 1HG LYS 14 -2.092 -3.253 0.646
78 HG3 LYS 14 2HG LYS 14 -3.447 -3.884 1.584
79 HD2 LYS 14 1HD LYS 14 -3.455 -5.919 0.293
80 HD3 LYS 14 2HD LYS 14 -2.218 -5.279 -0.792
81 HE2 LYS 14 1HE LYS 14 -1.137 -6.756 0.731
82 HE3 LYS 14 2HE LYS 14 -0.695 -5.111 1.187
83 HZ1 LYS 14 3HZ LYS 14 -3.041 -5.922 2.550
84 HZ2 LYS 14 1HZ LYS 14 -1.557 -5.420 3.189
85 HZ3 LYS 14 2HZ LYS 14 -1.806 -7.049 2.808
86 H CYS 15 H CYS 15 -2.060 -0.747 0.948
87 HA CYS 15 HA CYS 15 -0.645 0.449 -1.237
88 HB2 CYS 15 1HB CYS 15 -0.622 1.468 0.991
89 HB3 CYS 15 2HB CYS 15 0.174 0.042 1.647
90 H SER 16 H SER 16 0.616 -0.611 -2.601
91 HA SER 16 HA SER 16 1.709 -3.208 -1.852
92 HB2 SER 16 1HB SER 16 0.538 -2.900 -4.038
93 HB3 SER 16 2HB SER 16 1.827 -1.801 -4.530
94 HG SER 16 HG SER 16 1.783 -4.490 -4.575
95 H GLU 17 H GLU 17 2.861 -1.040 -0.508
96 HA GLU 17 HA GLU 17 5.588 -1.118 -1.609
97 HB2 GLU 17 1HB GLU 17 4.288 1.265 -0.277
98 HB3 GLU 17 2HB GLU 17 5.955 1.179 -0.829
99 HG2 GLU 17 1HG GLU 17 5.380 1.326 -3.043
100 HG3 GLU 17 2HG GLU 17 3.763 0.676 -2.777
101 H CYS 18 H CYS 18 3.525 -0.805 1.231
102 HA CYS 18 HA CYS 18 5.755 -1.816 2.869
103 HB2 CYS 18 1HB CYS 18 4.973 -0.488 4.743
104 HB3 CYS 18 2HB CYS 18 5.269 0.565 3.364
105 H GLY 19 H GLY 19 2.229 -1.589 2.537
106 HA2 GLY 19 1HA GLY 19 1.090 -3.812 2.580
107 HA3 GLY 19 2HA GLY 19 2.030 -4.133 4.030
108 H LYS 20 H LYS 20 0.434 -1.100 3.192
109 HA LYS 20 HA LYS 20 -1.352 -1.499 5.503
110 HB2 LYS 20 1HB LYS 20 0.234 0.869 4.614
111 HB3 LYS 20 2HB LYS 20 -1.314 1.147 5.401
112 HG2 LYS 20 1HG LYS 20 -0.604 0.185 7.404
113 HG3 LYS 20 2HG LYS 20 0.765 -0.622 6.636
114 HD2 LYS 20 1HD LYS 20 1.783 1.591 6.212
115 HD3 LYS 20 2HD LYS 20 0.442 2.347 7.074
116 HE2 LYS 20 1HE LYS 20 1.970 0.187 8.437
117 HE3 LYS 20 2HE LYS 20 2.721 1.775 8.282
118 HZ1 LYS 20 3HZ LYS 20 -0.009 1.450 9.369
119 HZ2 LYS 20 1HZ LYS 20 1.038 2.769 9.530
120 HZ3 LYS 20 2HZ LYS 20 1.358 1.330 10.357
121 H ALA 21 H ALA 21 -3.455 -1.493 5.068
122 HA ALA 21 HA ALA 21 -4.339 -0.512 2.445
123 HB1 ALA 21 3HB ALA 21 -6.044 -2.061 2.482
124 HB2 ALA 21 1HB ALA 21 -4.766 -2.920 3.344
125 HB3 ALA 21 2HB ALA 21 -6.072 -2.147 4.244
126 H PHE 22 H PHE 22 -6.441 0.572 2.329
127 HA PHE 22 HA PHE 22 -7.252 1.946 4.784
128 HB2 PHE 22 1HB PHE 22 -6.751 3.428 2.198
129 HB3 PHE 22 2HB PHE 22 -7.200 4.121 3.753
130 HD1 PHE 22 HD1 PHE 22 -4.498 2.321 1.975
131 HD2 PHE 22 HD2 PHE 22 -5.570 4.730 5.316
132 HE1 PHE 22 HE1 PHE 22 -2.118 2.605 2.530
133 HE2 PHE 22 HE2 PHE 22 -3.192 5.019 5.876
134 HZ PHE 22 HZ PHE 22 -1.462 3.957 4.481
135 H HIS 23 H HIS 23 -9.397 2.092 4.990
136 HA HIS 23 HA HIS 23 -11.159 0.778 3.287
137 HB2 HIS 23 1HB HIS 23 -12.926 1.661 4.625
138 HB3 HIS 23 2HB HIS 23 -11.556 1.404 5.702
139 HD1 HIS 23 HD1 HIS 23 -9.969 3.894 5.517
140 HD2 HIS 23 HD2 HIS 23 -14.122 3.938 5.430
141 HE1 HIS 23 HE1 HIS 23 -10.632 6.213 6.228
142 H ARG 24 H ARG 24 -10.123 4.127 3.333
143 HA ARG 24 HA ARG 24 -11.814 4.643 0.977
144 HB2 ARG 24 1HB ARG 24 -10.995 6.338 3.280
145 HB3 ARG 24 2HB ARG 24 -11.137 7.121 1.712
146 HG2 ARG 24 1HG ARG 24 -13.458 6.033 1.602
147 HG3 ARG 24 2HG ARG 24 -13.258 5.773 3.336
148 HD2 ARG 24 1HD ARG 24 -13.405 8.357 1.821
149 HD3 ARG 24 2HD ARG 24 -14.392 7.814 3.177
150 HE ARG 24 HE ARG 24 -11.651 8.060 3.903
151 HH11 ARG 24 1HH1 ARG 24 -14.560 9.885 3.335
152 HH12 ARG 24 2HH1 ARG 24 -14.103 11.187 4.382
153 HH21 ARG 24 1HH2 ARG 24 -11.038 9.768 5.284
154 HH22 ARG 24 2HH2 ARG 24 -12.099 11.120 5.490
155 H HIS 25 H HIS 25 -10.909 5.927 -0.730
156 HA HIS 25 HA HIS 25 -8.189 5.225 -1.300
157 HB2 HIS 25 1HB HIS 25 -9.742 5.211 -3.125
158 HB3 HIS 25 2HB HIS 25 -10.229 6.872 -2.799
159 HD1 HIS 25 HD1 HIS 25 -9.580 7.639 -5.171
160 HD2 HIS 25 HD2 HIS 25 -6.426 6.037 -2.992
161 HE1 HIS 25 HE1 HIS 25 -7.503 8.233 -6.458
162 H THR 26 H THR 26 -9.917 8.275 -0.728
163 HA THR 26 HA THR 26 -7.966 10.127 -1.128
164 HB THR 26 HB THR 26 -10.222 10.745 -0.422
165 HG1 THR 26 HG1 THR 26 -8.470 11.763 1.557
166 HG21 THR 26 3HG2 THR 26 -9.714 8.961 1.706
167 HG22 THR 26 1HG2 THR 26 -11.187 9.875 1.387
168 HG23 THR 26 2HG2 THR 26 -9.931 10.558 2.420
169 H HIS 27 H HIS 27 -8.188 7.841 1.508
170 HA HIS 27 HA HIS 27 -6.128 9.075 3.085
171 HB2 HIS 27 1HB HIS 27 -7.719 6.551 3.245
172 HB3 HIS 27 2HB HIS 27 -6.231 6.669 4.179
173 HD1 HIS 27 HD1 HIS 27 -7.985 6.474 6.232
174 HD2 HIS 27 HD2 HIS 27 -8.037 10.020 4.067
175 HE1 HIS 27 HE1 HIS 27 -9.180 8.137 7.693
176 H LEU 28 H LEU 28 -6.326 6.187 1.020
177 HA LEU 28 HA LEU 28 -3.676 5.341 1.340
178 HB2 LEU 28 1HB LEU 28 -5.204 3.827 0.384
179 HB3 LEU 28 2HB LEU 28 -5.682 4.976 -0.864
180 HG LEU 28 HG LEU 28 -3.215 4.717 -1.663
181 HD11 LEU 28 1HD1 LEU 28 -3.233 2.937 0.517
182 HD12 LEU 28 2HD1 LEU 28 -1.949 3.198 -0.664
183 HD13 LEU 28 3HD1 LEU 28 -3.166 1.953 -0.945
184 HD21 LEU 28 3HD2 LEU 28 -4.131 2.351 -2.652
185 HD22 LEU 28 1HD2 LEU 28 -4.563 3.942 -3.278
186 HD23 LEU 28 2HD2 LEU 28 -5.630 3.126 -2.135
187 H ASN 29 H ASN 29 -5.121 7.308 -1.258
188 HA ASN 29 HA ASN 29 -2.855 7.773 -2.763
189 HB2 ASN 29 1HB ASN 29 -5.161 8.452 -3.399
190 HB3 ASN 29 2HB ASN 29 -5.069 9.765 -2.230
191 HD21 ASN 29 1HD2 ASN 29 -5.568 10.969 -4.253
192 HD22 ASN 29 2HD2 ASN 29 -4.232 11.510 -5.206
193 H GLU 30 H GLU 30 -3.962 9.443 0.144
194 HA GLU 30 HA GLU 30 -1.844 11.385 0.069
195 HB2 GLU 30 1HB GLU 30 -3.831 12.115 1.116
196 HB3 GLU 30 2HB GLU 30 -3.944 10.662 2.100
197 HG2 GLU 30 1HG GLU 30 -2.432 11.406 3.630
198 HG3 GLU 30 2HG GLU 30 -1.568 12.400 2.458
199 H HIS 31 H HIS 31 -2.267 8.201 1.323
200 HA HIS 31 HA HIS 31 -0.260 8.300 3.339
201 HB2 HIS 31 1HB HIS 31 -1.757 6.541 3.629
202 HB3 HIS 31 2HB HIS 31 -1.729 6.102 1.924
203 HD1 HIS 31 HD1 HIS 31 0.515 5.932 4.978
204 HD2 HIS 31 HD2 HIS 31 -0.051 4.047 1.320
205 HE1 HIS 31 HE1 HIS 31 2.078 3.963 4.989
206 H ARG 32 H ARG 32 -0.264 6.798 0.100
207 HA ARG 32 HA ARG 32 2.251 5.879 -0.127
208 HB2 ARG 32 1HB ARG 32 0.704 7.466 -2.178
209 HB3 ARG 32 2HB ARG 32 2.188 6.597 -2.544
210 HG2 ARG 32 1HG ARG 32 1.199 4.534 -2.320
211 HG3 ARG 32 2HG ARG 32 -0.080 5.144 -1.268
212 HD2 ARG 32 1HD ARG 32 -1.343 5.910 -3.018
213 HD3 ARG 32 2HD ARG 32 0.058 6.161 -4.058
214 HE ARG 32 HE ARG 32 -0.084 3.454 -3.747
215 HH11 ARG 32 1HH1 ARG 32 -2.279 5.924 -4.843
216 HH12 ARG 32 2HH1 ARG 32 -3.123 4.873 -5.932
217 HH21 ARG 32 1HH2 ARG 32 -1.188 2.061 -5.176
218 HH22 ARG 32 2HH2 ARG 32 -2.502 2.676 -6.120
219 H ARG 33 H ARG 33 1.337 9.219 0.122
220 HA ARG 33 HA ARG 33 3.480 10.575 -0.910
221 HB2 ARG 33 1HB ARG 33 1.826 11.096 1.551
222 HB3 ARG 33 2HB ARG 33 3.088 12.207 1.037
223 HG2 ARG 33 1HG ARG 33 0.712 12.723 0.307
224 HG3 ARG 33 2HG ARG 33 1.963 12.756 -0.938
225 HD2 ARG 33 1HD ARG 33 1.335 10.451 -1.575
226 HD3 ARG 33 2HD ARG 33 0.035 10.504 -0.386
227 HE ARG 33 HE ARG 33 -1.190 11.819 -1.818
228 HH11 ARG 33 1HH1 ARG 33 2.097 11.605 -2.945
229 HH12 ARG 33 2HH1 ARG 33 1.759 12.350 -4.472
230 HH21 ARG 33 1HH2 ARG 33 -1.647 12.802 -3.825
231 HH22 ARG 33 2HH2 ARG 33 -0.370 13.032 -4.971
232 H ILE 34 H ILE 34 3.248 9.112 2.320
233 HA ILE 34 HA ILE 34 5.751 9.901 3.276
234 HB ILE 34 HB ILE 34 5.564 8.144 4.914
235 HG12 ILE 34 1HG1 ILE 34 3.115 7.007 3.643
236 HG13 ILE 34 2HG1 ILE 34 4.682 6.525 3.002
237 HG21 ILE 34 1HG2 ILE 34 2.700 8.771 4.663
238 HG22 ILE 34 2HG2 ILE 34 3.815 9.060 5.998
239 HG23 ILE 34 3HG2 ILE 34 3.791 10.156 4.617
240 HD11 ILE 34 3HD1 ILE 34 5.303 5.917 5.379
241 HD12 ILE 34 1HD1 ILE 34 3.591 6.101 5.761
242 HD13 ILE 34 2HD1 ILE 34 4.107 4.895 4.582
243 H HIS 35 H HIS 35 4.886 7.498 0.960
244 HA HIS 35 HA HIS 35 7.432 6.111 1.153
245 HB2 HIS 35 1HB HIS 35 5.012 5.741 -0.612
246 HB3 HIS 35 2HB HIS 35 6.494 4.812 -0.822
247 HD1 HIS 35 HD1 HIS 35 7.093 4.285 2.190
248 HD2 HIS 35 HD2 HIS 35 3.396 3.764 0.368
249 HE1 HIS 35 HE1 HIS 35 5.862 2.631 3.629
250 H THR 36 H THR 36 6.095 8.762 -0.510
251 HA THR 36 HA THR 36 8.322 8.719 -2.443
252 HB THR 36 HB THR 36 6.252 8.555 -3.659
253 HG1 THR 36 HG1 THR 36 7.035 9.973 -5.010
254 HG21 THR 36 3HG2 THR 36 4.842 10.882 -3.288
255 HG22 THR 36 1HG2 THR 36 5.335 10.468 -1.647
256 HG23 THR 36 2HG2 THR 36 4.417 9.311 -2.610
257 H GLY 37 H GLY 37 9.277 9.683 -0.307
258 HA2 GLY 37 1HA GLY 37 8.869 12.610 -0.369
259 HA3 GLY 37 2HA GLY 37 9.340 11.719 1.071
260 H TYR 38 H TYR 38 11.276 10.036 -0.177
261 HA TYR 38 HA TYR 38 13.397 12.026 -0.589
262 HB2 TYR 38 1HB TYR 38 14.140 10.757 1.176
263 HB3 TYR 38 2HB TYR 38 13.310 9.306 0.625
264 HD1 TYR 38 HD2 TYR 38 14.327 7.871 -1.093
265 HD2 TYR 38 HD1 TYR 38 16.377 11.264 0.452
266 HE1 TYR 38 HE2 TYR 38 16.438 7.011 -2.018
267 HE2 TYR 38 HE1 TYR 38 18.493 10.414 -0.470
268 HH TYR 38 HH TYR 38 19.369 8.916 -1.990
269 H ARG 39 H ARG 39 14.451 12.165 -2.468
270 HA ARG 39 HA ARG 39 13.899 10.110 -4.504
271 HB2 ARG 39 1HB ARG 39 14.440 13.066 -4.759
272 HB3 ARG 39 2HB ARG 39 14.512 11.969 -6.132
273 HG2 ARG 39 1HG ARG 39 12.068 12.091 -4.414
274 HG3 ARG 39 2HG ARG 39 12.342 13.285 -5.683
275 HD2 ARG 39 1HD ARG 39 12.791 11.157 -7.150
276 HD3 ARG 39 2HD ARG 39 11.837 10.354 -5.904
277 HE ARG 39 HE ARG 39 10.406 12.593 -6.673
278 HH11 ARG 39 1HH1 ARG 39 11.585 9.668 -8.148
279 HH12 ARG 39 2HH1 ARG 39 10.300 9.579 -9.307
280 HH21 ARG 39 1HH2 ARG 39 8.709 12.487 -8.195
281 HH22 ARG 39 2HH2 ARG 39 8.665 11.184 -9.333
282 HA PRO 40 HA PRO 40 18.168 9.089 -4.689
283 HB2 PRO 40 1HB PRO 40 18.373 8.316 -7.283
284 HB3 PRO 40 2HB PRO 40 17.555 7.345 -6.053
285 HG2 PRO 40 1HG PRO 40 16.384 9.188 -8.101
286 HG3 PRO 40 2HG PRO 40 15.832 7.580 -7.598
287 HD2 PRO 40 1HD PRO 40 14.682 9.861 -6.701
288 HD3 PRO 40 2HD PRO 40 14.786 8.391 -5.711
289 H SER 41 H SER 41 20.007 9.328 -6.584
290 HA SER 41 HA SER 41 20.031 12.181 -7.323
291 HB2 SER 41 1HB SER 41 21.511 11.544 -5.343
292 HB3 SER 41 2HB SER 41 22.487 10.633 -6.494
293 HG SER 41 HG SER 41 23.384 12.442 -7.030
294 H GLY 42 H GLY 42 19.151 10.192 -9.059
295 HA2 GLY 42 1HA GLY 42 19.810 10.471 -11.464
296 HA3 GLY 42 2HA GLY 42 21.412 9.966 -10.948
297 HA PRO 43 HA PRO 43 20.338 5.828 -11.934
298 HB2 PRO 43 1HB PRO 43 22.041 4.493 -10.294
299 HB3 PRO 43 2HB PRO 43 22.577 5.347 -11.746
300 HG2 PRO 43 1HG PRO 43 22.661 6.233 -8.888
301 HG3 PRO 43 2HG PRO 43 23.899 6.397 -10.147
302 HD2 PRO 43 1HD PRO 43 22.269 8.437 -9.432
303 HD3 PRO 43 2HD PRO 43 22.878 8.237 -11.088
304 H SER 44 H SER 44 18.570 4.755 -11.342
305 HA SER 44 HA SER 44 17.117 5.031 -9.058
306 HB2 SER 44 1HB SER 44 17.349 2.811 -11.047
307 HB3 SER 44 2HB SER 44 16.391 2.542 -9.591
308 HG SER 44 HG SER 44 16.012 4.861 -11.142
309 H SER 45 H SER 45 19.314 2.284 -9.664
310 HA SER 45 HA SER 45 19.166 1.167 -7.117
311 HB2 SER 45 1HB SER 45 21.309 0.051 -7.682
312 HB3 SER 45 2HB SER 45 20.139 -0.041 -8.998
313 HG SER 45 HG SER 45 21.314 2.016 -9.688
314 H GLY 46 H GLY 46 19.762 1.934 -5.207
315 HA2 GLY 46 1HA GLY 46 21.997 2.671 -4.116
316 HA3 GLY 46 2HA GLY 46 21.751 4.097 -5.114
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -4.631 -15.803 -0.541
2 HA2 GLY 1 1HA GLY 1 -4.687 -16.044 2.372
3 HA3 GLY 1 2HA GLY 1 -5.744 -15.038 1.392
4 H SER 2 H SER 2 -5.055 -18.386 2.303
5 HA SER 2 HA SER 2 -7.602 -19.308 1.290
6 HB2 SER 2 1HB SER 2 -6.902 -21.504 2.100
7 HB3 SER 2 2HB SER 2 -5.590 -20.749 1.195
8 HG SER 2 HG SER 2 -4.704 -21.546 3.055
9 H SER 3 H SER 3 -8.148 -17.333 3.034
10 HA SER 3 HA SER 3 -9.026 -18.714 5.484
11 HB2 SER 3 1HB SER 3 -8.329 -15.823 4.973
12 HB3 SER 3 2HB SER 3 -9.242 -16.330 6.394
13 HG SER 3 HG SER 3 -6.823 -16.186 6.518
14 H GLY 4 H GLY 4 -9.994 -16.277 3.082
15 HA2 GLY 4 1HA GLY 4 -12.069 -15.928 2.122
16 HA3 GLY 4 2HA GLY 4 -12.679 -17.300 3.035
17 H SER 5 H SER 5 -11.287 -14.147 3.947
18 HA SER 5 HA SER 5 -13.765 -13.583 5.428
19 HB2 SER 5 1HB SER 5 -12.006 -14.357 6.998
20 HB3 SER 5 2HB SER 5 -10.965 -13.044 6.448
21 HG SER 5 HG SER 5 -13.320 -12.934 7.975
22 H SER 6 H SER 6 -13.369 -12.613 2.918
23 HA SER 6 HA SER 6 -12.041 -10.384 2.308
24 HB2 SER 6 1HB SER 6 -13.724 -11.285 0.810
25 HB3 SER 6 2HB SER 6 -15.014 -10.794 1.907
26 HG SER 6 HG SER 6 -13.436 -8.695 1.292
27 H GLY 7 H GLY 7 -11.423 -8.964 3.865
28 HA2 GLY 7 1HA GLY 7 -13.382 -7.027 4.720
29 HA3 GLY 7 2HA GLY 7 -12.738 -8.000 6.035
30 H SER 8 H SER 8 -10.985 -7.255 7.023
31 HA SER 8 HA SER 8 -9.784 -4.821 6.338
32 HB2 SER 8 1HB SER 8 -9.056 -7.036 8.230
33 HB3 SER 8 2HB SER 8 -7.942 -5.694 7.972
34 HG SER 8 HG SER 8 -10.425 -5.738 9.222
35 H GLY 9 H GLY 9 -8.120 -4.273 5.061
36 HA2 GLY 9 1HA GLY 9 -6.151 -4.522 3.841
37 HA3 GLY 9 2HA GLY 9 -6.142 -6.231 4.252
38 H GLU 10 H GLU 10 -8.587 -7.057 3.309
39 HA GLU 10 HA GLU 10 -8.142 -7.691 0.696
40 HB2 GLU 10 1HB GLU 10 -9.989 -8.498 2.318
41 HB3 GLU 10 2HB GLU 10 -10.943 -7.178 1.657
42 HG2 GLU 10 1HG GLU 10 -11.515 -9.158 0.478
43 HG3 GLU 10 2HG GLU 10 -10.580 -8.134 -0.610
44 H LYS 11 H LYS 11 -9.575 -4.754 1.953
45 HA LYS 11 HA LYS 11 -10.848 -3.607 -0.126
46 HB2 LYS 11 1HB LYS 11 -8.977 -2.473 1.912
47 HB3 LYS 11 2HB LYS 11 -9.570 -1.427 0.629
48 HG2 LYS 11 1HG LYS 11 -11.109 -1.053 2.290
49 HG3 LYS 11 2HG LYS 11 -11.905 -2.315 1.348
50 HD2 LYS 11 1HD LYS 11 -11.442 -3.959 2.933
51 HD3 LYS 11 2HD LYS 11 -10.146 -3.015 3.672
52 HE2 LYS 11 1HE LYS 11 -13.012 -2.116 3.731
53 HE3 LYS 11 2HE LYS 11 -12.348 -3.200 4.952
54 HZ1 LYS 11 3HZ LYS 11 -11.091 -0.599 4.315
55 HZ2 LYS 11 1HZ LYS 11 -10.858 -1.569 5.682
56 HZ3 LYS 11 2HZ LYS 11 -12.318 -0.741 5.471
57 HA PRO 12 HA PRO 12 -8.093 -3.396 -3.556
58 HB2 PRO 12 1HB PRO 12 -9.299 -1.400 -4.945
59 HB3 PRO 12 2HB PRO 12 -9.963 -3.035 -4.841
60 HG2 PRO 12 1HG PRO 12 -10.713 -0.585 -3.294
61 HG3 PRO 12 2HG PRO 12 -11.764 -1.814 -4.021
62 HD2 PRO 12 1HD PRO 12 -11.169 -1.784 -1.380
63 HD3 PRO 12 2HD PRO 12 -11.458 -3.289 -2.277
64 H TYR 13 H TYR 13 -8.301 -1.079 -1.176
65 HA TYR 13 HA TYR 13 -6.382 0.720 -2.484
66 HB2 TYR 13 1HB TYR 13 -7.754 1.218 0.152
67 HB3 TYR 13 2HB TYR 13 -6.989 2.389 -0.916
68 HD1 TYR 13 HD2 TYR 13 -9.901 0.113 -0.603
69 HD2 TYR 13 HD1 TYR 13 -8.227 3.477 -2.598
70 HE1 TYR 13 HE2 TYR 13 -12.077 0.564 -1.656
71 HE2 TYR 13 HE1 TYR 13 -10.399 3.939 -3.655
72 HH TYR 13 HH TYR 13 -12.607 2.141 -4.184
73 H LYS 14 H LYS 14 -5.533 -1.842 -1.614
74 HA LYS 14 HA LYS 14 -4.171 -1.517 0.914
75 HB2 LYS 14 1HB LYS 14 -5.099 -3.708 -0.006
76 HB3 LYS 14 2HB LYS 14 -3.726 -3.712 -1.105
77 HG2 LYS 14 1HG LYS 14 -2.368 -3.397 1.130
78 HG3 LYS 14 2HG LYS 14 -3.809 -4.135 1.834
79 HD2 LYS 14 1HD LYS 14 -3.559 -5.955 0.086
80 HD3 LYS 14 2HD LYS 14 -1.966 -5.275 -0.257
81 HE2 LYS 14 1HE LYS 14 -1.347 -5.602 2.104
82 HE3 LYS 14 2HE LYS 14 -2.924 -6.330 2.403
83 HZ1 LYS 14 3HZ LYS 14 -2.294 -7.972 0.607
84 HZ2 LYS 14 1HZ LYS 14 -1.460 -8.108 2.072
85 HZ3 LYS 14 2HZ LYS 14 -0.715 -7.381 0.739
86 H CYS 15 H CYS 15 -2.218 -0.668 1.191
87 HA CYS 15 HA CYS 15 -0.722 0.352 -1.007
88 HB2 CYS 15 1HB CYS 15 -0.568 1.624 0.962
89 HB3 CYS 15 2HB CYS 15 -0.253 0.208 1.960
90 H SER 16 H SER 16 0.341 -0.964 -2.339
91 HA SER 16 HA SER 16 1.544 -3.418 -1.348
92 HB2 SER 16 1HB SER 16 1.001 -2.272 -4.064
93 HB3 SER 16 2HB SER 16 2.193 -3.559 -3.889
94 HG SER 16 HG SER 16 -0.263 -3.925 -2.633
95 H GLU 17 H GLU 17 2.718 -1.090 -0.319
96 HA GLU 17 HA GLU 17 5.367 -1.175 -1.608
97 HB2 GLU 17 1HB GLU 17 4.133 1.169 -0.151
98 HB3 GLU 17 2HB GLU 17 5.732 1.132 -0.879
99 HG2 GLU 17 1HG GLU 17 4.418 2.276 -2.419
100 HG3 GLU 17 2HG GLU 17 4.538 0.644 -3.075
101 H CYS 18 H CYS 18 3.550 -0.977 1.396
102 HA CYS 18 HA CYS 18 5.921 -1.979 2.816
103 HB2 CYS 18 1HB CYS 18 5.426 -0.581 4.733
104 HB3 CYS 18 2HB CYS 18 5.604 0.434 3.305
105 H GLY 19 H GLY 19 2.403 -1.674 2.725
106 HA2 GLY 19 1HA GLY 19 1.263 -3.895 2.991
107 HA3 GLY 19 2HA GLY 19 2.234 -4.071 4.445
108 H LYS 20 H LYS 20 0.258 -1.428 3.095
109 HA LYS 20 HA LYS 20 -1.171 -1.334 5.671
110 HB2 LYS 20 1HB LYS 20 0.415 0.628 4.861
111 HB3 LYS 20 2HB LYS 20 -1.001 1.076 3.919
112 HG2 LYS 20 1HG LYS 20 -2.252 1.580 5.781
113 HG3 LYS 20 2HG LYS 20 -1.297 0.535 6.835
114 HD2 LYS 20 1HD LYS 20 0.583 2.105 6.672
115 HD3 LYS 20 2HD LYS 20 -0.389 3.153 5.636
116 HE2 LYS 20 1HE LYS 20 -0.564 4.094 7.777
117 HE3 LYS 20 2HE LYS 20 -2.070 3.205 7.552
118 HZ1 LYS 20 3HZ LYS 20 -0.854 1.318 8.738
119 HZ2 LYS 20 1HZ LYS 20 -1.380 2.625 9.675
120 HZ3 LYS 20 2HZ LYS 20 0.249 2.500 9.236
121 H ALA 21 H ALA 21 -3.371 -0.312 5.490
122 HA ALA 21 HA ALA 21 -4.654 -0.678 2.894
123 HB1 ALA 21 3HB ALA 21 -5.349 -2.728 3.464
124 HB2 ALA 21 1HB ALA 21 -4.970 -2.486 5.170
125 HB3 ALA 21 2HB ALA 21 -6.493 -1.887 4.511
126 H PHE 22 H PHE 22 -6.624 0.423 2.667
127 HA PHE 22 HA PHE 22 -7.559 2.025 4.921
128 HB2 PHE 22 1HB PHE 22 -7.058 3.368 2.275
129 HB3 PHE 22 2HB PHE 22 -7.350 4.109 3.845
130 HD1 PHE 22 HD1 PHE 22 -4.875 2.464 1.708
131 HD2 PHE 22 HD2 PHE 22 -5.576 4.379 5.444
132 HE1 PHE 22 HE1 PHE 22 -2.447 2.660 2.059
133 HE2 PHE 22 HE2 PHE 22 -3.150 4.579 5.801
134 HZ PHE 22 HZ PHE 22 -1.582 3.720 4.107
135 H HIS 23 H HIS 23 -9.707 2.687 4.763
136 HA HIS 23 HA HIS 23 -11.329 1.083 3.004
137 HB2 HIS 23 1HB HIS 23 -13.228 2.060 4.228
138 HB3 HIS 23 2HB HIS 23 -12.012 1.418 5.328
139 HD1 HIS 23 HD1 HIS 23 -10.327 3.335 6.325
140 HD2 HIS 23 HD2 HIS 23 -13.958 4.616 4.763
141 HE1 HIS 23 HE1 HIS 23 -10.686 5.641 7.262
142 H ARG 24 H ARG 24 -10.413 4.458 3.298
143 HA ARG 24 HA ARG 24 -12.093 5.129 0.986
144 HB2 ARG 24 1HB ARG 24 -10.896 6.714 3.218
145 HB3 ARG 24 2HB ARG 24 -11.207 7.518 1.685
146 HG2 ARG 24 1HG ARG 24 -13.577 6.381 1.989
147 HG3 ARG 24 2HG ARG 24 -13.108 6.448 3.689
148 HD2 ARG 24 1HD ARG 24 -13.241 8.765 1.763
149 HD3 ARG 24 2HD ARG 24 -14.353 8.437 3.092
150 HE ARG 24 HE ARG 24 -11.940 8.609 4.313
151 HH11 ARG 24 1HH1 ARG 24 -13.690 10.682 2.132
152 HH12 ARG 24 2HH1 ARG 24 -13.011 12.143 2.768
153 HH21 ARG 24 1HH2 ARG 24 -11.038 10.526 5.159
154 HH22 ARG 24 2HH2 ARG 24 -11.502 12.053 4.489
155 H HIS 25 H HIS 25 -11.228 6.156 -0.836
156 HA HIS 25 HA HIS 25 -8.681 5.258 -1.651
157 HB2 HIS 25 1HB HIS 25 -10.800 6.001 -3.033
158 HB3 HIS 25 2HB HIS 25 -10.003 7.572 -3.009
159 HD1 HIS 25 HD1 HIS 25 -10.408 5.115 -5.312
160 HD2 HIS 25 HD2 HIS 25 -6.966 6.767 -3.673
161 HE1 HIS 25 HE1 HIS 25 -8.580 4.645 -6.973
162 H THR 26 H THR 26 -9.852 8.465 -0.677
163 HA THR 26 HA THR 26 -7.593 9.974 -1.126
164 HB THR 26 HB THR 26 -9.679 10.984 -0.379
165 HG1 THR 26 HG1 THR 26 -8.712 12.364 1.291
166 HG21 THR 26 3HG2 THR 26 -10.712 10.581 1.612
167 HG22 THR 26 1HG2 THR 26 -9.198 10.267 2.460
168 HG23 THR 26 2HG2 THR 26 -9.900 9.027 1.421
169 H HIS 27 H HIS 27 -8.336 7.930 1.667
170 HA HIS 27 HA HIS 27 -6.136 8.628 3.254
171 HB2 HIS 27 1HB HIS 27 -7.954 6.260 3.109
172 HB3 HIS 27 2HB HIS 27 -6.504 6.154 4.102
173 HD1 HIS 27 HD1 HIS 27 -8.110 5.985 6.185
174 HD2 HIS 27 HD2 HIS 27 -8.251 9.594 4.132
175 HE1 HIS 27 HE1 HIS 27 -9.281 7.590 7.727
176 H LEU 28 H LEU 28 -6.525 5.964 0.929
177 HA LEU 28 HA LEU 28 -4.042 4.774 1.217
178 HB2 LEU 28 1HB LEU 28 -5.700 3.696 -0.088
179 HB3 LEU 28 2HB LEU 28 -5.829 5.072 -1.182
180 HG LEU 28 HG LEU 28 -3.563 4.570 -2.029
181 HD11 LEU 28 1HD1 LEU 28 -2.218 3.300 -0.806
182 HD12 LEU 28 2HD1 LEU 28 -3.216 1.912 -1.242
183 HD13 LEU 28 3HD1 LEU 28 -3.548 2.806 0.242
184 HD21 LEU 28 3HD2 LEU 28 -4.825 1.975 -2.428
185 HD22 LEU 28 1HD2 LEU 28 -4.463 3.252 -3.590
186 HD23 LEU 28 2HD2 LEU 28 -5.941 3.327 -2.630
187 H ASN 29 H ASN 29 -4.975 7.354 -1.055
188 HA ASN 29 HA ASN 29 -2.441 7.698 -2.210
189 HB2 ASN 29 1HB ASN 29 -4.693 8.609 -3.016
190 HB3 ASN 29 2HB ASN 29 -4.457 9.913 -1.856
191 HD21 ASN 29 1HD2 ASN 29 -4.706 10.842 -4.217
192 HD22 ASN 29 2HD2 ASN 29 -3.205 11.247 -4.970
193 H GLU 30 H GLU 30 -4.031 9.601 0.354
194 HA GLU 30 HA GLU 30 -2.085 11.413 0.939
195 HB2 GLU 30 1HB GLU 30 -3.906 9.913 2.819
196 HB3 GLU 30 2HB GLU 30 -2.885 11.244 3.343
197 HG2 GLU 30 1HG GLU 30 -4.890 11.508 1.124
198 HG3 GLU 30 2HG GLU 30 -5.283 11.808 2.816
199 H HIS 31 H HIS 31 -2.218 8.043 2.000
200 HA HIS 31 HA HIS 31 0.086 8.169 3.654
201 HB2 HIS 31 1HB HIS 31 -1.414 6.384 4.071
202 HB3 HIS 31 2HB HIS 31 -1.417 5.888 2.381
203 HD1 HIS 31 HD1 HIS 31 0.920 5.951 5.367
204 HD2 HIS 31 HD2 HIS 31 0.384 3.937 1.773
205 HE1 HIS 31 HE1 HIS 31 2.609 4.088 5.382
206 H ARG 32 H ARG 32 -0.396 6.768 0.408
207 HA ARG 32 HA ARG 32 2.097 5.924 -0.213
208 HB2 ARG 32 1HB ARG 32 0.083 7.368 -1.921
209 HB3 ARG 32 2HB ARG 32 1.593 6.765 -2.590
210 HG2 ARG 32 1HG ARG 32 0.963 4.584 -2.419
211 HG3 ARG 32 2HG ARG 32 -0.079 4.879 -1.026
212 HD2 ARG 32 1HD ARG 32 -1.809 5.733 -2.367
213 HD3 ARG 32 2HD ARG 32 -0.742 5.938 -3.756
214 HE ARG 32 HE ARG 32 -2.078 3.517 -2.927
215 HH11 ARG 32 1HH1 ARG 32 0.498 4.909 -4.810
216 HH12 ARG 32 2HH1 ARG 32 0.625 3.552 -5.880
217 HH21 ARG 32 1HH2 ARG 32 -1.919 1.724 -4.328
218 HH22 ARG 32 2HH2 ARG 32 -0.751 1.741 -5.605
219 H ARG 33 H ARG 33 1.124 9.196 0.308
220 HA ARG 33 HA ARG 33 2.984 10.671 -1.077
221 HB2 ARG 33 1HB ARG 33 1.935 11.130 1.720
222 HB3 ARG 33 2HB ARG 33 2.817 12.329 0.783
223 HG2 ARG 33 1HG ARG 33 1.060 12.316 -0.906
224 HG3 ARG 33 2HG ARG 33 0.180 11.095 0.015
225 HD2 ARG 33 1HD ARG 33 -0.843 13.124 0.588
226 HD3 ARG 33 2HD ARG 33 0.226 12.763 1.943
227 HE ARG 33 HE ARG 33 1.509 14.594 1.392
228 HH11 ARG 33 1HH1 ARG 33 -0.774 13.937 -1.152
229 HH12 ARG 33 2HH1 ARG 33 -0.473 15.427 -1.985
230 HH21 ARG 33 1HH2 ARG 33 1.914 16.558 0.306
231 HH22 ARG 33 2HH2 ARG 33 1.057 16.916 -1.155
232 H ILE 34 H ILE 34 3.394 9.029 2.035
233 HA ILE 34 HA ILE 34 6.030 9.945 2.512
234 HB ILE 34 HB ILE 34 6.171 8.249 4.220
235 HG12 ILE 34 1HG1 ILE 34 3.513 7.095 3.502
236 HG13 ILE 34 2HG1 ILE 34 4.921 6.569 2.586
237 HG21 ILE 34 1HG2 ILE 34 3.593 9.729 3.945
238 HG22 ILE 34 2HG2 ILE 34 3.843 8.654 5.320
239 HG23 ILE 34 3HG2 ILE 34 4.938 10.010 5.050
240 HD11 ILE 34 3HD1 ILE 34 5.885 6.270 5.055
241 HD12 ILE 34 1HD1 ILE 34 4.169 6.037 5.387
242 HD13 ILE 34 2HD1 ILE 34 4.987 5.009 4.210
243 H HIS 35 H HIS 35 4.755 7.580 0.401
244 HA HIS 35 HA HIS 35 7.240 6.086 0.201
245 HB2 HIS 35 1HB HIS 35 4.522 5.819 -1.056
246 HB3 HIS 35 2HB HIS 35 5.901 4.927 -1.692
247 HD1 HIS 35 HD1 HIS 35 7.238 4.086 0.946
248 HD2 HIS 35 HD2 HIS 35 3.154 3.843 0.220
249 HE1 HIS 35 HE1 HIS 35 6.376 2.334 2.531
250 H THR 36 H THR 36 5.490 8.576 -1.499
251 HA THR 36 HA THR 36 7.331 8.466 -3.764
252 HB THR 36 HB THR 36 4.820 8.801 -4.050
253 HG1 THR 36 HG1 THR 36 5.194 10.191 -5.800
254 HG21 THR 36 3HG2 THR 36 4.720 10.530 -2.194
255 HG22 THR 36 1HG2 THR 36 3.877 10.943 -3.686
256 HG23 THR 36 2HG2 THR 36 5.451 11.658 -3.335
257 H GLY 37 H GLY 37 8.754 10.096 -4.298
258 HA2 GLY 37 1HA GLY 37 8.848 12.625 -3.034
259 HA3 GLY 37 2HA GLY 37 9.969 11.531 -2.239
260 H TYR 38 H TYR 38 11.764 10.733 -3.393
261 HA TYR 38 HA TYR 38 12.908 12.580 -5.200
262 HB2 TYR 38 1HB TYR 38 14.832 11.299 -5.070
263 HB3 TYR 38 2HB TYR 38 14.026 10.860 -3.568
264 HD1 TYR 38 HD2 TYR 38 12.105 8.877 -4.242
265 HD2 TYR 38 HD1 TYR 38 15.959 9.487 -5.938
266 HE1 TYR 38 HE2 TYR 38 12.190 6.505 -4.885
267 HE2 TYR 38 HE1 TYR 38 16.054 7.116 -6.587
268 HH TYR 38 HH TYR 38 14.548 4.826 -5.416
269 H ARG 39 H ARG 39 13.659 12.140 -7.379
270 HA ARG 39 HA ARG 39 11.661 10.622 -8.893
271 HB2 ARG 39 1HB ARG 39 13.534 12.862 -9.622
272 HB3 ARG 39 2HB ARG 39 12.721 11.904 -10.853
273 HG2 ARG 39 1HG ARG 39 10.575 12.611 -10.091
274 HG3 ARG 39 2HG ARG 39 11.278 13.388 -8.671
275 HD2 ARG 39 1HD ARG 39 12.169 14.229 -11.392
276 HD3 ARG 39 2HD ARG 39 10.615 14.796 -10.781
277 HE ARG 39 HE ARG 39 12.506 15.264 -8.798
278 HH11 ARG 39 1HH1 ARG 39 11.830 16.304 -12.051
279 HH12 ARG 39 2HH1 ARG 39 12.539 17.870 -11.836
280 HH21 ARG 39 1HH2 ARG 39 13.442 17.323 -8.503
281 HH22 ARG 39 2HH2 ARG 39 13.457 18.448 -9.818
282 HA PRO 40 HA PRO 40 14.542 7.454 -9.911
283 HB2 PRO 40 1HB PRO 40 13.398 6.552 -12.202
284 HB3 PRO 40 2HB PRO 40 12.723 6.231 -10.601
285 HG2 PRO 40 1HG PRO 40 11.927 8.301 -12.611
286 HG3 PRO 40 2HG PRO 40 10.898 7.260 -11.611
287 HD2 PRO 40 1HD PRO 40 11.394 9.848 -10.989
288 HD3 PRO 40 2HD PRO 40 11.132 8.602 -9.752
289 H SER 41 H SER 41 16.464 7.433 -10.904
290 HA SER 41 HA SER 41 17.309 9.518 -12.581
291 HB2 SER 41 1HB SER 41 19.378 8.237 -12.842
292 HB3 SER 41 2HB SER 41 18.841 8.192 -11.163
293 HG SER 41 HG SER 41 17.905 6.122 -11.653
294 H GLY 42 H GLY 42 16.449 6.149 -13.319
295 HA2 GLY 42 1HA GLY 42 15.388 6.783 -15.858
296 HA3 GLY 42 2HA GLY 42 17.028 6.182 -16.051
297 HA PRO 43 HA PRO 43 15.776 2.000 -15.642
298 HB2 PRO 43 1HB PRO 43 17.348 0.929 -13.705
299 HB3 PRO 43 2HB PRO 43 17.962 1.380 -15.300
300 HG2 PRO 43 1HG PRO 43 18.121 2.881 -12.715
301 HG3 PRO 43 2HG PRO 43 19.371 2.645 -13.951
302 HD2 PRO 43 1HD PRO 43 17.931 4.930 -13.752
303 HD3 PRO 43 2HD PRO 43 18.523 4.306 -15.305
304 H SER 44 H SER 44 13.665 2.053 -14.915
305 HA SER 44 HA SER 44 13.167 0.984 -12.328
306 HB2 SER 44 1HB SER 44 11.877 2.823 -11.380
307 HB3 SER 44 2HB SER 44 13.524 3.361 -11.711
308 HG SER 44 HG SER 44 11.481 3.727 -13.616
309 H SER 45 H SER 45 10.770 0.784 -11.918
310 HA SER 45 HA SER 45 9.491 -0.530 -13.941
311 HB2 SER 45 1HB SER 45 8.532 0.836 -11.468
312 HB3 SER 45 2HB SER 45 7.326 0.294 -12.634
313 HG SER 45 HG SER 45 8.382 -1.800 -12.507
314 H GLY 46 H GLY 46 8.007 -0.044 -15.536
315 HA2 GLY 46 1HA GLY 46 8.293 2.298 -16.971
316 HA3 GLY 46 2HA GLY 46 6.910 1.223 -17.108
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -7.370 -28.758 -10.002
2 HA2 GLY 1 1HA GLY 1 -9.319 -28.369 -8.221
3 HA3 GLY 1 2HA GLY 1 -8.082 -29.088 -7.200
4 H SER 2 H SER 2 -9.013 -26.581 -6.642
5 HA SER 2 HA SER 2 -6.586 -25.035 -6.847
6 HB2 SER 2 1HB SER 2 -9.155 -23.981 -8.053
7 HB3 SER 2 2HB SER 2 -7.690 -23.033 -7.800
8 HG SER 2 HG SER 2 -7.956 -23.942 -9.952
9 H SER 3 H SER 3 -6.434 -23.415 -5.289
10 HA SER 3 HA SER 3 -8.715 -22.891 -3.564
11 HB2 SER 3 1HB SER 3 -6.286 -24.428 -2.707
12 HB3 SER 3 2HB SER 3 -7.119 -23.392 -1.549
13 HG SER 3 HG SER 3 -8.682 -24.793 -1.444
14 H GLY 4 H GLY 4 -8.683 -20.869 -2.761
15 HA2 GLY 4 1HA GLY 4 -6.775 -19.296 -1.774
16 HA3 GLY 4 2HA GLY 4 -6.427 -19.178 -3.492
17 H SER 5 H SER 5 -9.398 -19.159 -1.517
18 HA SER 5 HA SER 5 -10.068 -16.555 -2.705
19 HB2 SER 5 1HB SER 5 -12.343 -17.228 -3.113
20 HB3 SER 5 2HB SER 5 -11.287 -18.421 -3.871
21 HG SER 5 HG SER 5 -12.891 -18.652 -1.582
22 H SER 6 H SER 6 -10.832 -18.924 -0.177
23 HA SER 6 HA SER 6 -12.472 -17.670 1.510
24 HB2 SER 6 1HB SER 6 -11.185 -18.646 3.420
25 HB3 SER 6 2HB SER 6 -11.473 -19.791 2.110
26 HG SER 6 HG SER 6 -9.088 -18.521 2.877
27 H GLY 7 H GLY 7 -12.585 -15.527 1.821
28 HA2 GLY 7 1HA GLY 7 -10.359 -14.245 3.210
29 HA3 GLY 7 2HA GLY 7 -10.859 -13.526 1.686
30 H SER 8 H SER 8 -11.230 -13.370 4.958
31 HA SER 8 HA SER 8 -13.990 -12.392 4.844
32 HB2 SER 8 1HB SER 8 -13.693 -13.899 6.653
33 HB3 SER 8 2HB SER 8 -12.172 -13.144 7.132
34 HG SER 8 HG SER 8 -13.376 -12.032 8.442
35 H GLY 9 H GLY 9 -14.242 -10.305 4.413
36 HA2 GLY 9 1HA GLY 9 -13.966 -8.027 4.465
37 HA3 GLY 9 2HA GLY 9 -13.119 -8.261 5.987
38 H GLU 10 H GLU 10 -12.828 -7.370 2.744
39 HA GLU 10 HA GLU 10 -9.963 -6.992 3.078
40 HB2 GLU 10 1HB GLU 10 -10.354 -9.234 1.953
41 HB3 GLU 10 2HB GLU 10 -11.014 -8.338 0.592
42 HG2 GLU 10 1HG GLU 10 -8.946 -7.342 0.104
43 HG3 GLU 10 2HG GLU 10 -8.264 -7.807 1.661
44 H LYS 11 H LYS 11 -9.575 -4.946 2.592
45 HA LYS 11 HA LYS 11 -11.434 -3.443 0.953
46 HB2 LYS 11 1HB LYS 11 -9.134 -2.766 2.737
47 HB3 LYS 11 2HB LYS 11 -9.634 -1.596 1.523
48 HG2 LYS 11 1HG LYS 11 -11.686 -1.240 2.517
49 HG3 LYS 11 2HG LYS 11 -11.661 -2.789 3.363
50 HD2 LYS 11 1HD LYS 11 -9.607 -0.716 4.009
51 HD3 LYS 11 2HD LYS 11 -11.236 -0.567 4.673
52 HE2 LYS 11 1HE LYS 11 -11.052 -2.749 5.701
53 HE3 LYS 11 2HE LYS 11 -9.475 -3.000 4.954
54 HZ1 LYS 11 3HZ LYS 11 -9.875 -1.998 7.424
55 HZ2 LYS 11 1HZ LYS 11 -9.658 -0.587 6.515
56 HZ3 LYS 11 2HZ LYS 11 -8.465 -1.787 6.513
57 HA PRO 12 HA PRO 12 -9.150 -3.723 -2.800
58 HB2 PRO 12 1HB PRO 12 -10.033 -1.460 -4.014
59 HB3 PRO 12 2HB PRO 12 -11.034 -2.906 -3.832
60 HG2 PRO 12 1HG PRO 12 -11.006 -0.402 -2.191
61 HG3 PRO 12 2HG PRO 12 -12.392 -1.338 -2.782
62 HD2 PRO 12 1HD PRO 12 -11.482 -1.531 -0.239
63 HD3 PRO 12 2HD PRO 12 -12.216 -2.901 -1.097
64 H TYR 13 H TYR 13 -8.783 -1.133 -0.574
65 HA TYR 13 HA TYR 13 -6.537 0.017 -2.054
66 HB2 TYR 13 1HB TYR 13 -7.731 0.942 0.564
67 HB3 TYR 13 2HB TYR 13 -6.605 1.829 -0.457
68 HD1 TYR 13 HD1 TYR 13 -7.568 1.907 -3.050
69 HD2 TYR 13 HD2 TYR 13 -9.874 1.767 0.523
70 HE1 TYR 13 HE1 TYR 13 -9.456 2.945 -4.236
71 HE2 TYR 13 HE2 TYR 13 -11.770 2.803 -0.654
72 HH TYR 13 HH TYR 13 -11.695 3.367 -4.120
73 H LYS 14 H LYS 14 -4.857 -1.387 -1.829
74 HA LYS 14 HA LYS 14 -3.868 -1.791 0.913
75 HB2 LYS 14 1HB LYS 14 -4.675 -3.930 0.339
76 HB3 LYS 14 2HB LYS 14 -4.089 -3.802 -1.314
77 HG2 LYS 14 1HG LYS 14 -2.675 -5.329 -0.191
78 HG3 LYS 14 2HG LYS 14 -1.758 -3.835 -0.391
79 HD2 LYS 14 1HD LYS 14 -1.301 -4.260 1.804
80 HD3 LYS 14 2HD LYS 14 -2.783 -3.321 1.998
81 HE2 LYS 14 1HE LYS 14 -2.977 -6.277 1.671
82 HE3 LYS 14 2HE LYS 14 -2.460 -5.626 3.226
83 HZ1 LYS 14 3HZ LYS 14 -4.543 -4.139 2.945
84 HZ2 LYS 14 1HZ LYS 14 -4.725 -5.735 3.475
85 HZ3 LYS 14 2HZ LYS 14 -5.050 -5.337 1.864
86 H CYS 15 H CYS 15 -2.297 -0.248 0.864
87 HA CYS 15 HA CYS 15 -0.664 0.427 -1.284
88 HB2 CYS 15 1HB CYS 15 -0.839 1.819 0.713
89 HB3 CYS 15 2HB CYS 15 -0.057 0.569 1.677
90 H SER 16 H SER 16 0.520 -0.977 -2.409
91 HA SER 16 HA SER 16 1.620 -3.358 -1.312
92 HB2 SER 16 1HB SER 16 1.101 -3.439 -3.617
93 HB3 SER 16 2HB SER 16 1.963 -1.937 -3.949
94 HG SER 16 HG SER 16 3.633 -3.130 -4.347
95 H GLU 17 H GLU 17 2.863 -0.137 -1.915
96 HA GLU 17 HA GLU 17 5.563 -0.434 -1.853
97 HB2 GLU 17 1HB GLU 17 4.103 1.639 -0.213
98 HB3 GLU 17 2HB GLU 17 5.722 1.766 -0.885
99 HG2 GLU 17 1HG GLU 17 4.523 1.453 -3.163
100 HG3 GLU 17 2HG GLU 17 3.084 1.935 -2.267
101 H CYS 18 H CYS 18 3.467 -0.263 1.021
102 HA CYS 18 HA CYS 18 5.632 -1.546 2.556
103 HB2 CYS 18 1HB CYS 18 4.739 -0.402 4.556
104 HB3 CYS 18 2HB CYS 18 5.282 0.737 3.327
105 H GLY 19 H GLY 19 2.162 -1.332 1.985
106 HA2 GLY 19 1HA GLY 19 0.951 -3.461 1.897
107 HA3 GLY 19 2HA GLY 19 1.881 -3.962 3.301
108 H LYS 20 H LYS 20 0.481 -0.769 2.926
109 HA LYS 20 HA LYS 20 -1.017 -1.152 5.380
110 HB2 LYS 20 1HB LYS 20 -0.348 1.206 3.653
111 HB3 LYS 20 2HB LYS 20 -1.638 1.328 4.842
112 HG2 LYS 20 1HG LYS 20 0.988 0.271 5.737
113 HG3 LYS 20 2HG LYS 20 0.849 2.000 5.407
114 HD2 LYS 20 1HD LYS 20 -0.867 2.259 7.025
115 HD3 LYS 20 2HD LYS 20 -1.070 0.513 7.189
116 HE2 LYS 20 1HE LYS 20 1.037 0.291 8.271
117 HE3 LYS 20 2HE LYS 20 1.482 1.953 7.883
118 HZ1 LYS 20 3HZ LYS 20 -0.015 0.955 10.094
119 HZ2 LYS 20 1HZ LYS 20 -0.865 2.166 9.273
120 HZ3 LYS 20 2HZ LYS 20 0.686 2.478 9.872
121 H ALA 21 H ALA 21 -3.285 -0.336 5.503
122 HA ALA 21 HA ALA 21 -4.793 -0.731 3.018
123 HB1 ALA 21 3HB ALA 21 -6.049 -2.458 3.769
124 HB2 ALA 21 1HB ALA 21 -4.603 -2.777 4.728
125 HB3 ALA 21 2HB ALA 21 -5.972 -1.930 5.450
126 H PHE 22 H PHE 22 -6.470 0.634 2.766
127 HA PHE 22 HA PHE 22 -7.396 2.157 5.102
128 HB2 PHE 22 1HB PHE 22 -6.844 3.376 2.390
129 HB3 PHE 22 2HB PHE 22 -7.377 4.223 3.838
130 HD1 PHE 22 HD1 PHE 22 -4.557 2.411 2.300
131 HD2 PHE 22 HD2 PHE 22 -5.837 4.934 5.480
132 HE1 PHE 22 HE1 PHE 22 -2.210 2.812 2.922
133 HE2 PHE 22 HE2 PHE 22 -3.493 5.340 6.106
134 HZ PHE 22 HZ PHE 22 -1.676 4.280 4.826
135 H HIS 23 H HIS 23 -9.543 2.875 5.019
136 HA HIS 23 HA HIS 23 -11.344 1.176 3.673
137 HB2 HIS 23 1HB HIS 23 -11.603 2.683 5.837
138 HB3 HIS 23 2HB HIS 23 -12.250 3.839 4.677
139 HD1 HIS 23 HD1 HIS 23 -13.307 1.210 6.837
140 HD2 HIS 23 HD2 HIS 23 -14.434 2.524 3.060
141 HE1 HIS 23 HE1 HIS 23 -15.605 0.265 6.455
142 H ARG 24 H ARG 24 -10.626 4.633 3.182
143 HA ARG 24 HA ARG 24 -11.917 4.462 0.549
144 HB2 ARG 24 1HB ARG 24 -11.449 6.679 2.490
145 HB3 ARG 24 2HB ARG 24 -11.522 7.075 0.778
146 HG2 ARG 24 1HG ARG 24 -13.670 5.575 2.259
147 HG3 ARG 24 2HG ARG 24 -13.682 7.316 1.974
148 HD2 ARG 24 1HD ARG 24 -13.294 6.523 -0.528
149 HD3 ARG 24 2HD ARG 24 -14.088 5.069 0.075
150 HE ARG 24 HE ARG 24 -15.311 7.585 -0.475
151 HH11 ARG 24 1HH1 ARG 24 -15.470 4.785 1.588
152 HH12 ARG 24 2HH1 ARG 24 -17.164 4.955 1.907
153 HH21 ARG 24 1HH2 ARG 24 -17.542 7.819 -0.062
154 HH22 ARG 24 2HH2 ARG 24 -18.342 6.680 0.967
155 H HIS 25 H HIS 25 -10.883 5.812 -1.187
156 HA HIS 25 HA HIS 25 -8.187 4.969 -1.545
157 HB2 HIS 25 1HB HIS 25 -9.449 5.076 -3.522
158 HB3 HIS 25 2HB HIS 25 -10.076 6.678 -3.143
159 HD1 HIS 25 HD1 HIS 25 -8.347 8.688 -3.419
160 HD2 HIS 25 HD2 HIS 25 -7.154 5.045 -5.021
161 HE1 HIS 25 HE1 HIS 25 -6.446 9.228 -4.975
162 H THR 26 H THR 26 -9.700 8.150 -1.073
163 HA THR 26 HA THR 26 -7.637 9.871 -1.294
164 HB THR 26 HB THR 26 -8.626 11.252 0.482
165 HG1 THR 26 HG1 THR 26 -10.266 10.423 1.768
166 HG21 THR 26 3HG2 THR 26 -11.020 10.087 -0.831
167 HG22 THR 26 1HG2 THR 26 -9.736 10.691 -1.877
168 HG23 THR 26 2HG2 THR 26 -10.502 11.768 -0.708
169 H HIS 27 H HIS 27 -8.286 7.872 1.573
170 HA HIS 27 HA HIS 27 -6.123 8.798 3.113
171 HB2 HIS 27 1HB HIS 27 -7.821 6.328 3.165
172 HB3 HIS 27 2HB HIS 27 -6.411 6.442 4.214
173 HD1 HIS 27 HD1 HIS 27 -9.265 6.288 5.377
174 HD2 HIS 27 HD2 HIS 27 -7.213 9.829 4.657
175 HE1 HIS 27 HE1 HIS 27 -10.310 7.993 6.901
176 H LEU 28 H LEU 28 -6.424 5.836 1.151
177 HA LEU 28 HA LEU 28 -3.903 4.798 1.504
178 HB2 LEU 28 1HB LEU 28 -5.417 3.478 0.322
179 HB3 LEU 28 2HB LEU 28 -5.788 4.765 -0.823
180 HG LEU 28 HG LEU 28 -3.351 4.452 -1.619
181 HD11 LEU 28 1HD1 LEU 28 -3.471 2.498 0.438
182 HD12 LEU 28 2HD1 LEU 28 -2.126 2.895 -0.630
183 HD13 LEU 28 3HD1 LEU 28 -3.298 1.667 -1.108
184 HD21 LEU 28 3HD2 LEU 28 -4.989 3.892 -3.153
185 HD22 LEU 28 1HD2 LEU 28 -5.671 2.633 -2.123
186 HD23 LEU 28 2HD2 LEU 28 -4.134 2.362 -2.945
187 H ASN 29 H ASN 29 -4.908 7.018 -1.101
188 HA ASN 29 HA ASN 29 -2.379 7.354 -2.245
189 HB2 ASN 29 1HB ASN 29 -4.767 8.116 -3.038
190 HB3 ASN 29 2HB ASN 29 -4.346 9.613 -2.210
191 HD21 ASN 29 1HD2 ASN 29 -4.553 10.514 -4.373
192 HD22 ASN 29 2HD2 ASN 29 -3.193 10.452 -5.437
193 H GLU 30 H GLU 30 -4.087 9.675 -0.135
194 HA GLU 30 HA GLU 30 -2.079 11.475 0.288
195 HB2 GLU 30 1HB GLU 30 -4.254 10.490 2.114
196 HB3 GLU 30 2HB GLU 30 -3.126 11.733 2.636
197 HG2 GLU 30 1HG GLU 30 -3.800 13.020 0.563
198 HG3 GLU 30 2HG GLU 30 -5.113 11.857 0.392
199 H HIS 31 H HIS 31 -2.206 8.221 1.366
200 HA HIS 31 HA HIS 31 -0.205 8.583 3.436
201 HB2 HIS 31 1HB HIS 31 -1.627 6.897 4.095
202 HB3 HIS 31 2HB HIS 31 -1.869 6.311 2.452
203 HD1 HIS 31 HD1 HIS 31 0.369 5.954 5.412
204 HD2 HIS 31 HD2 HIS 31 0.036 4.448 1.555
205 HE1 HIS 31 HE1 HIS 31 1.937 3.991 5.320
206 H ARG 32 H ARG 32 -0.442 6.792 0.362
207 HA ARG 32 HA ARG 32 1.991 5.699 0.084
208 HB2 ARG 32 1HB ARG 32 0.316 7.174 -1.926
209 HB3 ARG 32 2HB ARG 32 1.856 6.464 -2.394
210 HG2 ARG 32 1HG ARG 32 1.110 4.291 -2.001
211 HG3 ARG 32 2HG ARG 32 -0.248 4.838 -1.017
212 HD2 ARG 32 1HD ARG 32 -1.456 5.565 -2.885
213 HD3 ARG 32 2HD ARG 32 -0.028 5.563 -3.918
214 HE ARG 32 HE ARG 32 -1.783 3.387 -3.455
215 HH11 ARG 32 1HH1 ARG 32 1.575 4.160 -3.952
216 HH12 ARG 32 2HH1 ARG 32 1.965 2.614 -4.630
217 HH21 ARG 32 1HH2 ARG 32 -1.282 1.348 -4.346
218 HH22 ARG 32 2HH2 ARG 32 0.339 1.016 -4.854
219 H ARG 33 H ARG 33 1.316 9.106 0.147
220 HA ARG 33 HA ARG 33 3.528 10.218 -1.044
221 HB2 ARG 33 1HB ARG 33 1.944 11.057 1.373
222 HB3 ARG 33 2HB ARG 33 3.286 12.025 0.776
223 HG2 ARG 33 1HG ARG 33 1.226 12.895 -0.094
224 HG3 ARG 33 2HG ARG 33 2.157 12.181 -1.412
225 HD2 ARG 33 1HD ARG 33 0.114 10.549 0.037
226 HD3 ARG 33 2HD ARG 33 -0.393 11.693 -1.205
227 HE ARG 33 HE ARG 33 0.952 9.184 -1.603
228 HH11 ARG 33 1HH1 ARG 33 0.312 12.334 -2.940
229 HH12 ARG 33 2HH1 ARG 33 0.588 11.839 -4.577
230 HH21 ARG 33 1HH2 ARG 33 1.319 8.521 -3.754
231 HH22 ARG 33 2HH2 ARG 33 1.160 9.670 -5.039
232 H ILE 34 H ILE 34 3.248 9.046 2.298
233 HA ILE 34 HA ILE 34 5.670 9.748 3.338
234 HB ILE 34 HB ILE 34 5.544 7.853 4.816
235 HG12 ILE 34 1HG1 ILE 34 3.263 6.673 3.275
236 HG13 ILE 34 2HG1 ILE 34 4.914 6.310 2.784
237 HG21 ILE 34 1HG2 ILE 34 3.267 8.099 5.659
238 HG22 ILE 34 2HG2 ILE 34 3.938 9.656 5.175
239 HG23 ILE 34 3HG2 ILE 34 2.776 8.835 4.133
240 HD11 ILE 34 3HD1 ILE 34 4.722 4.612 4.218
241 HD12 ILE 34 1HD1 ILE 34 5.038 5.834 5.449
242 HD13 ILE 34 2HD1 ILE 34 3.379 5.360 5.082
243 H HIS 35 H HIS 35 5.087 7.566 0.752
244 HA HIS 35 HA HIS 35 7.716 6.327 0.954
245 HB2 HIS 35 1HB HIS 35 5.510 5.950 -1.082
246 HB3 HIS 35 2HB HIS 35 7.000 5.014 -1.012
247 HD1 HIS 35 HD1 HIS 35 7.175 4.271 1.899
248 HD2 HIS 35 HD2 HIS 35 3.602 4.240 -0.220
249 HE1 HIS 35 HE1 HIS 35 5.663 2.701 3.154
250 H THR 36 H THR 36 5.994 8.700 -0.963
251 HA THR 36 HA THR 36 8.218 8.996 -2.817
252 HB THR 36 HB THR 36 6.829 10.619 -3.981
253 HG1 THR 36 HG1 THR 36 5.148 11.533 -3.045
254 HG21 THR 36 3HG2 THR 36 4.677 9.058 -4.137
255 HG22 THR 36 1HG2 THR 36 5.735 7.953 -3.260
256 HG23 THR 36 2HG2 THR 36 6.228 8.587 -4.830
257 H GLY 37 H GLY 37 8.981 9.565 -0.220
258 HA2 GLY 37 1HA GLY 37 8.855 12.431 0.196
259 HA3 GLY 37 2HA GLY 37 9.695 11.264 1.206
260 H TYR 38 H TYR 38 11.697 10.299 0.217
261 HA TYR 38 HA TYR 38 13.103 12.326 -1.396
262 HB2 TYR 38 1HB TYR 38 14.978 12.205 -0.056
263 HB3 TYR 38 2HB TYR 38 13.710 11.970 1.141
264 HD1 TYR 38 HD1 TYR 38 16.147 10.146 -0.987
265 HD2 TYR 38 HD2 TYR 38 13.650 10.025 2.456
266 HE1 TYR 38 HE1 TYR 38 17.183 8.019 -0.318
267 HE2 TYR 38 HE2 TYR 38 14.681 7.898 3.136
268 HH TYR 38 HH TYR 38 17.495 6.787 2.048
269 H ARG 39 H ARG 39 14.402 11.627 -3.042
270 HA ARG 39 HA ARG 39 14.379 8.728 -3.574
271 HB2 ARG 39 1HB ARG 39 14.089 11.083 -5.417
272 HB3 ARG 39 2HB ARG 39 14.657 9.533 -6.022
273 HG2 ARG 39 1HG ARG 39 12.102 9.768 -4.474
274 HG3 ARG 39 2HG ARG 39 12.167 10.057 -6.213
275 HD2 ARG 39 1HD ARG 39 13.315 7.555 -5.037
276 HD3 ARG 39 2HD ARG 39 11.584 7.689 -5.344
277 HE ARG 39 HE ARG 39 13.671 7.378 -7.293
278 HH11 ARG 39 1HH1 ARG 39 10.434 8.527 -6.726
279 HH12 ARG 39 2HH1 ARG 39 9.950 8.377 -8.383
280 HH21 ARG 39 1HH2 ARG 39 13.046 7.175 -9.478
281 HH22 ARG 39 2HH2 ARG 39 11.436 7.606 -9.947
282 HA PRO 40 HA PRO 40 18.778 8.827 -3.508
283 HB2 PRO 40 1HB PRO 40 19.285 6.634 -5.027
284 HB3 PRO 40 2HB PRO 40 18.678 6.535 -3.370
285 HG2 PRO 40 1HG PRO 40 17.179 6.314 -5.952
286 HG3 PRO 40 2HG PRO 40 17.022 5.338 -4.480
287 HD2 PRO 40 1HD PRO 40 15.303 7.339 -5.092
288 HD3 PRO 40 2HD PRO 40 15.724 6.920 -3.419
289 H SER 41 H SER 41 17.429 8.035 -6.719
290 HA SER 41 HA SER 41 19.645 9.423 -8.002
291 HB2 SER 41 1HB SER 41 17.427 7.651 -9.002
292 HB3 SER 41 2HB SER 41 18.400 8.609 -10.118
293 HG SER 41 HG SER 41 19.989 7.261 -9.856
294 H GLY 42 H GLY 42 16.141 9.397 -8.671
295 HA2 GLY 42 1HA GLY 42 14.665 11.148 -8.963
296 HA3 GLY 42 2HA GLY 42 15.899 12.234 -8.341
297 HA PRO 43 HA PRO 43 16.591 11.701 -13.125
298 HB2 PRO 43 1HB PRO 43 14.419 10.819 -14.495
299 HB3 PRO 43 2HB PRO 43 15.664 9.733 -13.866
300 HG2 PRO 43 1HG PRO 43 12.984 10.410 -12.716
301 HG3 PRO 43 2HG PRO 43 13.783 8.832 -12.838
302 HD2 PRO 43 1HD PRO 43 13.745 10.272 -10.545
303 HD3 PRO 43 2HD PRO 43 15.102 9.215 -10.987
304 H SER 44 H SER 44 13.960 12.964 -11.403
305 HA SER 44 HA SER 44 12.395 14.439 -12.976
306 HB2 SER 44 1HB SER 44 13.883 15.443 -10.541
307 HB3 SER 44 2HB SER 44 12.535 16.298 -11.290
308 HG SER 44 HG SER 44 11.170 14.836 -10.548
309 H SER 45 H SER 45 15.520 15.790 -11.904
310 HA SER 45 HA SER 45 15.488 17.621 -14.168
311 HB2 SER 45 1HB SER 45 17.136 18.858 -13.045
312 HB3 SER 45 2HB SER 45 16.134 18.234 -11.735
313 HG SER 45 HG SER 45 17.723 16.454 -11.671
314 H GLY 46 H GLY 46 16.625 17.338 -15.977
315 HA2 GLY 46 1HA GLY 46 18.830 16.743 -16.929
316 HA3 GLY 46 2HA GLY 46 18.746 15.279 -15.960
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -17.989 -14.733 -0.832
2 HA2 GLY 1 1HA GLY 1 -20.183 -15.998 -1.213
3 HA3 GLY 1 2HA GLY 1 -18.860 -16.422 -2.290
4 H SER 2 H SER 2 -18.730 -18.537 -2.572
5 HA SER 2 HA SER 2 -19.694 -20.344 -0.503
6 HB2 SER 2 1HB SER 2 -20.470 -20.891 -2.688
7 HB3 SER 2 2HB SER 2 -18.851 -20.756 -3.374
8 HG SER 2 HG SER 2 -19.107 -22.891 -3.105
9 H SER 3 H SER 3 -18.328 -20.973 1.022
10 HA SER 3 HA SER 3 -16.402 -21.515 2.120
11 HB2 SER 3 1HB SER 3 -16.813 -23.494 0.553
12 HB3 SER 3 2HB SER 3 -15.547 -22.812 -0.467
13 HG SER 3 HG SER 3 -14.544 -22.826 1.930
14 H GLY 4 H GLY 4 -16.333 -18.944 1.064
15 HA2 GLY 4 1HA GLY 4 -13.712 -18.621 -0.185
16 HA3 GLY 4 2HA GLY 4 -14.906 -17.356 0.067
17 H SER 5 H SER 5 -12.501 -19.370 1.686
18 HA SER 5 HA SER 5 -12.604 -18.093 4.193
19 HB2 SER 5 1HB SER 5 -11.516 -20.194 4.119
20 HB3 SER 5 2HB SER 5 -10.463 -19.693 2.796
21 HG SER 5 HG SER 5 -9.103 -19.144 4.287
22 H SER 6 H SER 6 -10.325 -17.653 1.487
23 HA SER 6 HA SER 6 -8.910 -15.512 2.627
24 HB2 SER 6 1HB SER 6 -8.179 -16.899 0.654
25 HB3 SER 6 2HB SER 6 -9.325 -15.990 -0.331
26 HG SER 6 HG SER 6 -6.925 -15.164 0.840
27 H GLY 7 H GLY 7 -8.915 -13.256 1.967
28 HA2 GLY 7 1HA GLY 7 -9.992 -11.358 1.005
29 HA3 GLY 7 2HA GLY 7 -11.483 -12.285 0.922
30 H SER 8 H SER 8 -9.220 -11.608 3.588
31 HA SER 8 HA SER 8 -11.402 -10.247 5.006
32 HB2 SER 8 1HB SER 8 -10.750 -11.417 7.099
33 HB3 SER 8 2HB SER 8 -11.364 -12.523 5.871
34 HG SER 8 HG SER 8 -8.634 -12.094 5.831
35 H GLY 9 H GLY 9 -10.794 -8.335 5.773
36 HA2 GLY 9 1HA GLY 9 -9.448 -6.753 6.820
37 HA3 GLY 9 2HA GLY 9 -8.136 -7.922 6.839
38 H GLU 10 H GLU 10 -8.347 -8.454 3.962
39 HA GLU 10 HA GLU 10 -6.569 -6.420 3.063
40 HB2 GLU 10 1HB GLU 10 -7.858 -8.802 1.765
41 HB3 GLU 10 2HB GLU 10 -6.940 -7.648 0.808
42 HG2 GLU 10 1HG GLU 10 -4.997 -8.041 2.300
43 HG3 GLU 10 2HG GLU 10 -5.928 -9.301 3.107
44 H LYS 11 H LYS 11 -7.031 -4.528 2.172
45 HA LYS 11 HA LYS 11 -9.758 -4.081 1.164
46 HB2 LYS 11 1HB LYS 11 -7.704 -2.226 2.348
47 HB3 LYS 11 2HB LYS 11 -9.075 -1.617 1.431
48 HG2 LYS 11 1HG LYS 11 -9.498 -3.475 3.735
49 HG3 LYS 11 2HG LYS 11 -9.233 -1.750 4.002
50 HD2 LYS 11 1HD LYS 11 -11.176 -1.162 2.810
51 HD3 LYS 11 2HD LYS 11 -11.318 -2.767 2.089
52 HE2 LYS 11 1HE LYS 11 -11.829 -3.710 4.283
53 HE3 LYS 11 2HE LYS 11 -11.663 -2.115 5.015
54 HZ1 LYS 11 3HZ LYS 11 -13.993 -3.046 4.329
55 HZ2 LYS 11 1HZ LYS 11 -13.562 -2.444 2.807
56 HZ3 LYS 11 2HZ LYS 11 -13.629 -1.405 4.140
57 HA PRO 12 HA PRO 12 -8.337 -3.479 -2.946
58 HB2 PRO 12 1HB PRO 12 -10.054 -1.567 -3.824
59 HB3 PRO 12 2HB PRO 12 -10.542 -3.244 -3.548
60 HG2 PRO 12 1HG PRO 12 -10.904 -0.851 -1.785
61 HG3 PRO 12 2HG PRO 12 -12.053 -2.148 -2.161
62 HD2 PRO 12 1HD PRO 12 -10.636 -2.081 0.145
63 HD3 PRO 12 2HD PRO 12 -11.104 -3.600 -0.644
64 H TYR 13 H TYR 13 -8.625 -0.672 -0.860
65 HA TYR 13 HA TYR 13 -6.796 0.842 -2.579
66 HB2 TYR 13 1HB TYR 13 -8.162 1.888 -0.106
67 HB3 TYR 13 2HB TYR 13 -7.503 2.801 -1.459
68 HD1 TYR 13 HD1 TYR 13 -8.723 2.917 -3.591
69 HD2 TYR 13 HD2 TYR 13 -10.364 0.931 -0.206
70 HE1 TYR 13 HE1 TYR 13 -10.942 2.959 -4.650
71 HE2 TYR 13 HE2 TYR 13 -12.588 0.966 -1.255
72 HH TYR 13 HH TYR 13 -13.497 1.095 -3.638
73 H LYS 14 H LYS 14 -6.015 -1.443 -0.856
74 HA LYS 14 HA LYS 14 -4.509 -0.303 1.322
75 HB2 LYS 14 1HB LYS 14 -4.077 -2.461 1.976
76 HB3 LYS 14 2HB LYS 14 -5.549 -2.715 1.047
77 HG2 LYS 14 1HG LYS 14 -4.301 -3.489 -0.842
78 HG3 LYS 14 2HG LYS 14 -2.775 -3.056 -0.068
79 HD2 LYS 14 1HD LYS 14 -3.701 -4.676 1.815
80 HD3 LYS 14 2HD LYS 14 -4.592 -5.352 0.449
81 HE2 LYS 14 1HE LYS 14 -1.672 -4.840 0.152
82 HE3 LYS 14 2HE LYS 14 -2.197 -6.237 1.092
83 HZ1 LYS 14 3HZ LYS 14 -2.492 -7.317 -0.801
84 HZ2 LYS 14 1HZ LYS 14 -2.077 -5.948 -1.704
85 HZ3 LYS 14 2HZ LYS 14 -3.687 -6.210 -1.257
86 H CYS 15 H CYS 15 -2.269 -0.135 1.477
87 HA CYS 15 HA CYS 15 -0.928 0.482 -0.978
88 HB2 CYS 15 1HB CYS 15 -0.409 1.862 0.891
89 HB3 CYS 15 2HB CYS 15 -0.052 0.471 1.908
90 H SER 16 H SER 16 1.010 -0.474 -1.758
91 HA SER 16 HA SER 16 1.263 -3.319 -1.040
92 HB2 SER 16 1HB SER 16 2.005 -1.995 -3.659
93 HB3 SER 16 2HB SER 16 2.030 -3.724 -3.310
94 HG SER 16 HG SER 16 -0.213 -3.669 -3.096
95 H GLU 17 H GLU 17 2.979 -0.325 -1.591
96 HA GLU 17 HA GLU 17 5.601 -1.183 -1.714
97 HB2 GLU 17 1HB GLU 17 4.418 1.273 -0.421
98 HB3 GLU 17 2HB GLU 17 6.149 1.020 -0.589
99 HG2 GLU 17 1HG GLU 17 5.536 2.382 -2.391
100 HG3 GLU 17 2HG GLU 17 5.738 0.768 -3.070
101 H CYS 18 H CYS 18 3.595 -0.626 1.153
102 HA CYS 18 HA CYS 18 5.652 -1.995 2.760
103 HB2 CYS 18 1HB CYS 18 4.849 -0.739 4.698
104 HB3 CYS 18 2HB CYS 18 5.349 0.358 3.415
105 H GLY 19 H GLY 19 2.201 -1.615 2.140
106 HA2 GLY 19 1HA GLY 19 0.925 -3.729 2.079
107 HA3 GLY 19 2HA GLY 19 1.762 -4.171 3.560
108 H LYS 20 H LYS 20 0.826 -0.888 3.280
109 HA LYS 20 HA LYS 20 -0.834 -1.019 5.570
110 HB2 LYS 20 1HB LYS 20 0.514 0.976 4.459
111 HB3 LYS 20 2HB LYS 20 -1.031 1.277 3.674
112 HG2 LYS 20 1HG LYS 20 -1.298 2.578 5.510
113 HG3 LYS 20 2HG LYS 20 -1.917 1.057 6.159
114 HD2 LYS 20 1HD LYS 20 0.995 1.662 6.397
115 HD3 LYS 20 2HD LYS 20 -0.140 2.459 7.488
116 HE2 LYS 20 1HE LYS 20 -1.040 0.182 8.048
117 HE3 LYS 20 2HE LYS 20 0.301 -0.500 7.130
118 HZ1 LYS 20 3HZ LYS 20 1.723 -0.095 8.783
119 HZ2 LYS 20 1HZ LYS 20 0.359 0.106 9.763
120 HZ3 LYS 20 2HZ LYS 20 1.113 1.455 9.077
121 H ALA 21 H ALA 21 -3.100 -0.348 5.676
122 HA ALA 21 HA ALA 21 -4.641 -0.972 3.253
123 HB1 ALA 21 3HB ALA 21 -4.775 -3.011 4.395
124 HB2 ALA 21 1HB ALA 21 -4.948 -2.224 5.963
125 HB3 ALA 21 2HB ALA 21 -6.275 -2.178 4.802
126 H PHE 22 H PHE 22 -6.513 0.181 2.985
127 HA PHE 22 HA PHE 22 -7.367 1.966 5.145
128 HB2 PHE 22 1HB PHE 22 -6.885 2.904 2.309
129 HB3 PHE 22 2HB PHE 22 -7.465 3.885 3.651
130 HD1 PHE 22 HD2 PHE 22 -5.936 4.339 5.578
131 HD2 PHE 22 HD1 PHE 22 -4.590 2.546 1.960
132 HE1 PHE 22 HE2 PHE 22 -3.616 4.918 6.158
133 HE2 PHE 22 HE1 PHE 22 -2.268 3.122 2.534
134 HZ PHE 22 HZ PHE 22 -1.779 4.311 4.634
135 H HIS 23 H HIS 23 -9.402 3.261 4.201
136 HA HIS 23 HA HIS 23 -11.191 1.190 3.118
137 HB2 HIS 23 1HB HIS 23 -12.091 3.660 4.587
138 HB3 HIS 23 2HB HIS 23 -12.975 2.160 4.325
139 HD1 HIS 23 HD1 HIS 23 -11.240 0.041 5.429
140 HD2 HIS 23 HD2 HIS 23 -11.518 3.781 7.217
141 HE1 HIS 23 HE1 HIS 23 -10.527 -0.300 7.816
142 H ARG 24 H ARG 24 -10.474 4.663 2.975
143 HA ARG 24 HA ARG 24 -11.893 4.784 0.399
144 HB2 ARG 24 1HB ARG 24 -11.153 7.033 2.281
145 HB3 ARG 24 2HB ARG 24 -12.021 7.213 0.762
146 HG2 ARG 24 1HG ARG 24 -13.012 5.610 3.108
147 HG3 ARG 24 2HG ARG 24 -13.477 7.276 2.759
148 HD2 ARG 24 1HD ARG 24 -14.455 6.610 0.659
149 HD3 ARG 24 2HD ARG 24 -13.874 4.959 0.873
150 HE ARG 24 HE ARG 24 -15.642 4.550 2.274
151 HH11 ARG 24 1HH1 ARG 24 -15.328 7.983 1.783
152 HH12 ARG 24 2HH1 ARG 24 -16.823 8.364 2.571
153 HH21 ARG 24 1HH2 ARG 24 -17.612 5.040 3.314
154 HH22 ARG 24 2HH2 ARG 24 -18.121 6.690 3.442
155 H HIS 25 H HIS 25 -10.851 5.429 -1.420
156 HA HIS 25 HA HIS 25 -8.175 5.037 -1.788
157 HB2 HIS 25 1HB HIS 25 -10.016 5.442 -3.535
158 HB3 HIS 25 2HB HIS 25 -9.652 7.154 -3.341
159 HD1 HIS 25 HD1 HIS 25 -9.205 5.751 -6.039
160 HD2 HIS 25 HD2 HIS 25 -6.268 6.215 -3.138
161 HE1 HIS 25 HE1 HIS 25 -7.017 5.604 -7.268
162 H THR 26 H THR 26 -9.768 8.130 -1.079
163 HA THR 26 HA THR 26 -7.753 9.923 -1.263
164 HB THR 26 HB THR 26 -9.750 9.730 0.999
165 HG1 THR 26 HG1 THR 26 -10.671 11.495 -0.406
166 HG21 THR 26 3HG2 THR 26 -8.903 11.586 1.901
167 HG22 THR 26 1HG2 THR 26 -8.863 12.398 0.336
168 HG23 THR 26 2HG2 THR 26 -7.508 11.389 0.841
169 H HIS 27 H HIS 27 -8.413 8.094 1.733
170 HA HIS 27 HA HIS 27 -6.168 8.899 3.152
171 HB2 HIS 27 1HB HIS 27 -7.739 6.323 3.262
172 HB3 HIS 27 2HB HIS 27 -6.466 6.722 4.413
173 HD1 HIS 27 HD1 HIS 27 -8.417 6.583 6.226
174 HD2 HIS 27 HD2 HIS 27 -8.685 9.720 3.515
175 HE1 HIS 27 HE1 HIS 27 -10.056 8.203 7.232
176 H LEU 28 H LEU 28 -6.557 6.169 0.931
177 HA LEU 28 HA LEU 28 -4.058 4.980 1.312
178 HB2 LEU 28 1HB LEU 28 -5.598 3.716 0.116
179 HB3 LEU 28 2HB LEU 28 -5.995 5.049 -0.967
180 HG LEU 28 HG LEU 28 -3.738 4.781 -2.003
181 HD11 LEU 28 1HD1 LEU 28 -3.591 2.653 0.053
182 HD12 LEU 28 2HD1 LEU 28 -2.325 3.690 -0.601
183 HD13 LEU 28 3HD1 LEU 28 -2.898 2.306 -1.530
184 HD21 LEU 28 3HD2 LEU 28 -4.550 3.299 -3.511
185 HD22 LEU 28 1HD2 LEU 28 -6.035 3.547 -2.593
186 HD23 LEU 28 2HD2 LEU 28 -5.029 2.133 -2.276
187 H ASN 29 H ASN 29 -5.053 7.287 -1.221
188 HA ASN 29 HA ASN 29 -2.542 7.604 -2.398
189 HB2 ASN 29 1HB ASN 29 -4.705 8.386 -3.369
190 HB3 ASN 29 2HB ASN 29 -4.713 9.701 -2.197
191 HD21 ASN 29 1HD2 ASN 29 -4.511 11.395 -3.546
192 HD22 ASN 29 2HD2 ASN 29 -3.148 11.667 -4.573
193 H GLU 30 H GLU 30 -3.994 9.183 0.386
194 HA GLU 30 HA GLU 30 -2.096 11.245 0.689
195 HB2 GLU 30 1HB GLU 30 -3.975 9.886 2.609
196 HB3 GLU 30 2HB GLU 30 -2.884 11.161 3.133
197 HG2 GLU 30 1HG GLU 30 -3.903 12.608 1.341
198 HG3 GLU 30 2HG GLU 30 -5.124 11.352 1.143
199 H HIS 31 H HIS 31 -2.311 8.021 2.171
200 HA HIS 31 HA HIS 31 -0.030 8.193 3.774
201 HB2 HIS 31 1HB HIS 31 -1.344 6.357 4.279
202 HB3 HIS 31 2HB HIS 31 -1.589 5.934 2.587
203 HD1 HIS 31 HD1 HIS 31 1.050 5.730 5.288
204 HD2 HIS 31 HD2 HIS 31 0.123 4.034 1.610
205 HE1 HIS 31 HE1 HIS 31 2.681 3.839 4.990
206 H ARG 32 H ARG 32 -0.405 7.164 0.410
207 HA ARG 32 HA ARG 32 2.115 6.170 -0.101
208 HB2 ARG 32 1HB ARG 32 0.146 7.659 -1.811
209 HB3 ARG 32 2HB ARG 32 1.705 7.172 -2.463
210 HG2 ARG 32 1HG ARG 32 1.221 4.883 -2.188
211 HG3 ARG 32 2HG ARG 32 -0.173 5.226 -1.161
212 HD2 ARG 32 1HD ARG 32 -1.489 5.886 -2.944
213 HD3 ARG 32 2HD ARG 32 -0.099 6.265 -3.960
214 HE ARG 32 HE ARG 32 -1.453 3.782 -3.806
215 HH11 ARG 32 1HH1 ARG 32 1.720 5.169 -4.164
216 HH12 ARG 32 2HH1 ARG 32 2.356 3.814 -5.038
217 HH21 ARG 32 1HH2 ARG 32 -0.627 1.993 -4.956
218 HH22 ARG 32 2HH2 ARG 32 1.020 2.009 -5.488
219 H ARG 33 H ARG 33 1.246 9.353 0.730
220 HA ARG 33 HA ARG 33 3.090 10.936 -0.582
221 HB2 ARG 33 1HB ARG 33 1.870 11.097 2.158
222 HB3 ARG 33 2HB ARG 33 3.050 12.290 1.632
223 HG2 ARG 33 1HG ARG 33 1.599 12.788 -0.318
224 HG3 ARG 33 2HG ARG 33 0.393 11.689 0.355
225 HD2 ARG 33 1HD ARG 33 -0.309 13.777 1.100
226 HD3 ARG 33 2HD ARG 33 0.578 13.129 2.479
227 HE ARG 33 HE ARG 33 2.117 14.803 2.229
228 HH11 ARG 33 1HH1 ARG 33 0.208 14.569 -0.673
229 HH12 ARG 33 2HH1 ARG 33 0.873 16.004 -1.382
230 HH21 ARG 33 1HH2 ARG 33 2.999 16.694 1.306
231 HH22 ARG 33 2HH2 ARG 33 2.461 17.211 -0.255
232 H ILE 34 H ILE 34 3.543 8.853 2.219
233 HA ILE 34 HA ILE 34 6.221 9.729 2.739
234 HB ILE 34 HB ILE 34 6.346 7.933 4.339
235 HG12 ILE 34 1HG1 ILE 34 3.623 6.924 3.648
236 HG13 ILE 34 2HG1 ILE 34 4.979 6.402 2.654
237 HG21 ILE 34 1HG2 ILE 34 4.033 8.356 5.509
238 HG22 ILE 34 2HG2 ILE 34 5.218 9.651 5.351
239 HG23 ILE 34 3HG2 ILE 34 3.856 9.561 4.234
240 HD11 ILE 34 3HD1 ILE 34 4.419 5.856 5.531
241 HD12 ILE 34 1HD1 ILE 34 4.847 4.738 4.236
242 HD13 ILE 34 2HD1 ILE 34 6.074 5.802 4.924
243 H HIS 35 H HIS 35 4.755 7.443 0.622
244 HA HIS 35 HA HIS 35 7.192 5.924 0.214
245 HB2 HIS 35 1HB HIS 35 4.415 5.779 -0.938
246 HB3 HIS 35 2HB HIS 35 5.743 4.855 -1.635
247 HD1 HIS 35 HD1 HIS 35 7.118 3.958 0.991
248 HD2 HIS 35 HD2 HIS 35 3.027 3.776 0.289
249 HE1 HIS 35 HE1 HIS 35 6.247 2.189 2.552
250 H THR 36 H THR 36 5.513 8.598 -1.206
251 HA THR 36 HA THR 36 7.204 8.513 -3.597
252 HB THR 36 HB THR 36 4.697 8.926 -3.754
253 HG1 THR 36 HG1 THR 36 6.060 11.112 -4.876
254 HG21 THR 36 3HG2 THR 36 3.898 11.170 -3.327
255 HG22 THR 36 1HG2 THR 36 5.499 11.674 -2.790
256 HG23 THR 36 2HG2 THR 36 4.579 10.504 -1.844
257 H GLY 37 H GLY 37 6.712 10.275 -0.639
258 HA2 GLY 37 1HA GLY 37 8.778 12.213 -1.478
259 HA3 GLY 37 2HA GLY 37 7.526 12.558 -0.293
260 H TYR 38 H TYR 38 10.706 11.581 -0.749
261 HA TYR 38 HA TYR 38 11.067 11.229 2.101
262 HB2 TYR 38 1HB TYR 38 10.722 8.957 1.728
263 HB3 TYR 38 2HB TYR 38 11.454 9.004 0.128
264 HD1 TYR 38 HD1 TYR 38 12.410 9.565 3.701
265 HD2 TYR 38 HD2 TYR 38 13.551 8.075 -0.118
266 HE1 TYR 38 HE1 TYR 38 14.529 8.760 4.655
267 HE2 TYR 38 HE2 TYR 38 15.673 7.265 0.826
268 HH TYR 38 HH TYR 38 16.723 8.130 3.996
269 H ARG 39 H ARG 39 12.990 12.000 2.763
270 HA ARG 39 HA ARG 39 15.126 12.363 0.784
271 HB2 ARG 39 1HB ARG 39 15.513 14.638 1.454
272 HB3 ARG 39 2HB ARG 39 13.821 14.478 1.001
273 HG2 ARG 39 1HG ARG 39 14.693 14.257 3.858
274 HG3 ARG 39 2HG ARG 39 14.393 15.823 3.100
275 HD2 ARG 39 1HD ARG 39 12.137 14.748 2.386
276 HD3 ARG 39 2HD ARG 39 12.480 13.596 3.677
277 HE ARG 39 HE ARG 39 11.952 15.214 5.201
278 HH11 ARG 39 1HH1 ARG 39 12.563 16.722 2.123
279 HH12 ARG 39 2HH1 ARG 39 12.062 18.295 2.647
280 HH21 ARG 39 1HH2 ARG 39 11.289 17.281 5.903
281 HH22 ARG 39 2HH2 ARG 39 11.338 18.612 4.797
282 HA PRO 40 HA PRO 40 17.688 10.763 3.985
283 HB2 PRO 40 1HB PRO 40 20.088 11.703 3.131
284 HB3 PRO 40 2HB PRO 40 19.242 10.369 2.339
285 HG2 PRO 40 1HG PRO 40 19.356 13.261 1.573
286 HG3 PRO 40 2HG PRO 40 19.479 11.824 0.540
287 HD2 PRO 40 1HD PRO 40 17.195 13.260 0.773
288 HD3 PRO 40 2HD PRO 40 17.196 11.507 0.496
289 H SER 41 H SER 41 18.191 11.419 5.985
290 HA SER 41 HA SER 41 18.300 14.286 6.522
291 HB2 SER 41 1HB SER 41 16.867 12.500 7.808
292 HB3 SER 41 2HB SER 41 18.374 12.199 8.673
293 HG SER 41 HG SER 41 16.681 14.381 8.761
294 H GLY 42 H GLY 42 20.420 14.651 5.693
295 HA2 GLY 42 1HA GLY 42 22.494 13.971 7.650
296 HA3 GLY 42 2HA GLY 42 22.782 13.557 5.966
297 HA PRO 43 HA PRO 43 24.316 17.565 5.096
298 HB2 PRO 43 1HB PRO 43 23.184 18.192 2.709
299 HB3 PRO 43 2HB PRO 43 24.448 16.967 2.881
300 HG2 PRO 43 1HG PRO 43 21.483 16.613 2.665
301 HG3 PRO 43 2HG PRO 43 22.780 15.692 1.882
302 HD2 PRO 43 1HD PRO 43 21.475 14.792 4.077
303 HD3 PRO 43 2HD PRO 43 23.181 14.418 3.760
304 H SER 44 H SER 44 20.812 17.251 4.795
305 HA SER 44 HA SER 44 20.416 19.706 6.244
306 HB2 SER 44 1HB SER 44 19.107 20.848 4.530
307 HB3 SER 44 2HB SER 44 20.737 20.540 3.932
308 HG SER 44 HG SER 44 19.526 18.463 3.159
309 H SER 45 H SER 45 18.784 19.342 7.581
310 HA SER 45 HA SER 45 16.640 17.511 6.721
311 HB2 SER 45 1HB SER 45 16.428 16.849 9.120
312 HB3 SER 45 2HB SER 45 17.979 16.403 8.410
313 HG SER 45 HG SER 45 18.828 18.344 9.373
314 H GLY 46 H GLY 46 17.322 19.966 9.227
315 HA2 GLY 46 1HA GLY 46 14.695 20.679 9.771
316 HA3 GLY 46 2HA GLY 46 16.077 21.746 9.968
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -9.985 -29.595 15.863
2 HA2 GLY 1 1HA GLY 1 -7.376 -29.114 17.135
3 HA3 GLY 1 2HA GLY 1 -7.572 -28.777 15.422
4 H SER 2 H SER 2 -7.102 -26.581 15.717
5 HA SER 2 HA SER 2 -9.330 -25.048 16.868
6 HB2 SER 2 1HB SER 2 -7.056 -25.165 18.227
7 HB3 SER 2 2HB SER 2 -6.565 -23.932 17.065
8 HG SER 2 HG SER 2 -8.701 -22.937 17.723
9 H SER 3 H SER 3 -9.519 -22.858 16.009
10 HA SER 3 HA SER 3 -8.144 -22.363 13.482
11 HB2 SER 3 1HB SER 3 -10.311 -23.650 13.062
12 HB3 SER 3 2HB SER 3 -11.155 -22.206 13.620
13 HG SER 3 HG SER 3 -9.221 -22.119 11.559
14 H GLY 4 H GLY 4 -8.817 -20.158 12.586
15 HA2 GLY 4 1HA GLY 4 -9.341 -18.303 14.826
16 HA3 GLY 4 2HA GLY 4 -8.062 -18.006 13.658
17 H SER 5 H SER 5 -10.058 -16.144 14.156
18 HA SER 5 HA SER 5 -11.643 -16.265 11.673
19 HB2 SER 5 1HB SER 5 -13.294 -14.806 12.804
20 HB3 SER 5 2HB SER 5 -13.090 -16.346 13.639
21 HG SER 5 HG SER 5 -13.089 -14.430 15.007
22 H SER 6 H SER 6 -10.969 -14.891 10.181
23 HA SER 6 HA SER 6 -9.131 -12.782 10.772
24 HB2 SER 6 1HB SER 6 -10.590 -13.497 8.218
25 HB3 SER 6 2HB SER 6 -9.326 -12.273 8.336
26 HG SER 6 HG SER 6 -8.747 -14.805 9.339
27 H GLY 7 H GLY 7 -12.434 -12.789 9.415
28 HA2 GLY 7 1HA GLY 7 -13.944 -11.166 10.656
29 HA3 GLY 7 2HA GLY 7 -12.690 -9.987 10.305
30 H SER 8 H SER 8 -14.653 -8.913 9.349
31 HA SER 8 HA SER 8 -14.945 -9.758 6.542
32 HB2 SER 8 1HB SER 8 -17.064 -8.601 8.366
33 HB3 SER 8 2HB SER 8 -17.258 -8.798 6.624
34 HG SER 8 HG SER 8 -16.525 -11.115 7.301
35 H GLY 9 H GLY 9 -15.614 -7.944 5.087
36 HA2 GLY 9 1HA GLY 9 -15.615 -5.284 5.529
37 HA3 GLY 9 2HA GLY 9 -13.902 -5.668 5.604
38 H GLU 10 H GLU 10 -13.903 -4.113 3.761
39 HA GLU 10 HA GLU 10 -14.620 -5.449 1.236
40 HB2 GLU 10 1HB GLU 10 -15.705 -3.236 1.712
41 HB3 GLU 10 2HB GLU 10 -14.107 -2.503 1.667
42 HG2 GLU 10 1HG GLU 10 -14.907 -2.103 -0.455
43 HG3 GLU 10 2HG GLU 10 -13.939 -3.559 -0.679
44 H LYS 11 H LYS 11 -12.182 -3.212 2.570
45 HA LYS 11 HA LYS 11 -9.979 -2.901 2.080
46 HB2 LYS 11 1HB LYS 11 -9.954 -5.167 3.147
47 HB3 LYS 11 2HB LYS 11 -10.016 -5.874 1.537
48 HG2 LYS 11 1HG LYS 11 -7.871 -5.100 0.994
49 HG3 LYS 11 2HG LYS 11 -7.846 -3.969 2.348
50 HD2 LYS 11 1HD LYS 11 -6.533 -5.647 3.193
51 HD3 LYS 11 2HD LYS 11 -8.118 -6.176 3.761
52 HE2 LYS 11 1HE LYS 11 -6.756 -7.131 1.244
53 HE3 LYS 11 2HE LYS 11 -6.808 -8.012 2.771
54 HZ1 LYS 11 3HZ LYS 11 -8.866 -7.673 0.761
55 HZ2 LYS 11 1HZ LYS 11 -9.400 -7.533 2.360
56 HZ3 LYS 11 2HZ LYS 11 -8.614 -8.941 1.852
57 HA PRO 12 HA PRO 12 -10.920 -3.219 -2.539
58 HB2 PRO 12 1HB PRO 12 -11.335 -0.569 -2.962
59 HB3 PRO 12 2HB PRO 12 -12.632 -1.687 -2.520
60 HG2 PRO 12 1HG PRO 12 -11.092 0.208 -0.788
61 HG3 PRO 12 2HG PRO 12 -12.833 -0.133 -0.802
62 HD2 PRO 12 1HD PRO 12 -11.151 -1.211 1.027
63 HD3 PRO 12 2HD PRO 12 -12.591 -2.064 0.434
64 H TYR 13 H TYR 13 -9.234 -0.617 -0.782
65 HA TYR 13 HA TYR 13 -7.098 -0.727 -2.802
66 HB2 TYR 13 1HB TYR 13 -7.437 1.472 -0.776
67 HB3 TYR 13 2HB TYR 13 -6.570 1.515 -2.307
68 HD1 TYR 13 HD1 TYR 13 -7.770 1.797 -4.411
69 HD2 TYR 13 HD2 TYR 13 -9.839 1.767 -0.694
70 HE1 TYR 13 HE1 TYR 13 -9.754 2.744 -5.515
71 HE2 TYR 13 HE2 TYR 13 -11.829 2.713 -1.787
72 HH TYR 13 HH TYR 13 -12.627 2.607 -4.567
73 H LYS 14 H LYS 14 -5.021 -1.149 -2.227
74 HA LYS 14 HA LYS 14 -4.287 -1.302 0.584
75 HB2 LYS 14 1HB LYS 14 -5.251 -3.546 -0.150
76 HB3 LYS 14 2HB LYS 14 -3.845 -3.695 -1.196
77 HG2 LYS 14 1HG LYS 14 -2.552 -3.198 1.046
78 HG3 LYS 14 2HG LYS 14 -4.035 -3.832 1.763
79 HD2 LYS 14 1HD LYS 14 -3.804 -5.894 0.548
80 HD3 LYS 14 2HD LYS 14 -2.431 -5.256 -0.359
81 HE2 LYS 14 1HE LYS 14 -2.487 -5.646 2.632
82 HE3 LYS 14 2HE LYS 14 -1.783 -6.786 1.486
83 HZ1 LYS 14 3HZ LYS 14 -0.445 -4.721 0.727
84 HZ2 LYS 14 1HZ LYS 14 0.030 -5.553 2.122
85 HZ3 LYS 14 2HZ LYS 14 -0.840 -4.108 2.254
86 H CYS 15 H CYS 15 -2.282 -0.572 0.876
87 HA CYS 15 HA CYS 15 -0.703 0.275 -1.333
88 HB2 CYS 15 1HB CYS 15 -0.687 1.504 0.775
89 HB3 CYS 15 2HB CYS 15 -0.031 0.102 1.612
90 H SER 16 H SER 16 1.461 -0.385 -1.840
91 HA SER 16 HA SER 16 1.941 -3.234 -1.261
92 HB2 SER 16 1HB SER 16 2.485 -1.592 -3.731
93 HB3 SER 16 2HB SER 16 3.275 -3.143 -3.451
94 HG SER 16 HG SER 16 0.859 -3.739 -3.029
95 H GLU 17 H GLU 17 3.363 -0.041 -1.489
96 HA GLU 17 HA GLU 17 6.055 -0.590 -1.297
97 HB2 GLU 17 1HB GLU 17 4.430 1.636 -0.072
98 HB3 GLU 17 2HB GLU 17 6.185 1.588 0.009
99 HG2 GLU 17 1HG GLU 17 4.516 1.694 -2.492
100 HG3 GLU 17 2HG GLU 17 5.459 3.012 -1.800
101 H CYS 18 H CYS 18 3.796 -0.118 1.421
102 HA CYS 18 HA CYS 18 5.748 -1.446 3.176
103 HB2 CYS 18 1HB CYS 18 4.498 -0.403 5.042
104 HB3 CYS 18 2HB CYS 18 5.146 0.788 3.919
105 H GLY 19 H GLY 19 2.306 -1.356 2.326
106 HA2 GLY 19 1HA GLY 19 1.201 -3.518 1.995
107 HA3 GLY 19 2HA GLY 19 2.085 -4.101 3.397
108 H LYS 20 H LYS 20 0.433 -0.998 3.089
109 HA LYS 20 HA LYS 20 -1.158 -1.677 5.443
110 HB2 LYS 20 1HB LYS 20 -0.318 0.862 4.121
111 HB3 LYS 20 2HB LYS 20 -1.801 0.870 5.067
112 HG2 LYS 20 1HG LYS 20 -0.381 -0.176 6.930
113 HG3 LYS 20 2HG LYS 20 1.005 0.357 5.976
114 HD2 LYS 20 1HD LYS 20 0.061 2.661 6.011
115 HD3 LYS 20 2HD LYS 20 -1.199 2.082 7.103
116 HE2 LYS 20 1HE LYS 20 0.383 2.976 8.549
117 HE3 LYS 20 2HE LYS 20 0.759 1.254 8.562
118 HZ1 LYS 20 3HZ LYS 20 2.754 1.622 7.676
119 HZ2 LYS 20 1HZ LYS 20 2.524 3.252 8.068
120 HZ3 LYS 20 2HZ LYS 20 2.157 2.696 6.513
121 H ALA 21 H ALA 21 -3.404 -0.371 5.325
122 HA ALA 21 HA ALA 21 -4.700 -0.742 2.744
123 HB1 ALA 21 3HB ALA 21 -5.086 -2.529 5.049
124 HB2 ALA 21 1HB ALA 21 -6.563 -1.961 4.271
125 HB3 ALA 21 2HB ALA 21 -5.344 -2.819 3.329
126 H PHE 22 H PHE 22 -6.528 0.501 2.468
127 HA PHE 22 HA PHE 22 -7.478 2.063 4.759
128 HB2 PHE 22 1HB PHE 22 -6.707 3.256 2.088
129 HB3 PHE 22 2HB PHE 22 -7.443 4.129 3.428
130 HD1 PHE 22 HD2 PHE 22 -6.163 4.431 5.543
131 HD2 PHE 22 HD1 PHE 22 -4.387 2.851 2.012
132 HE1 PHE 22 HE2 PHE 22 -3.929 4.920 6.451
133 HE2 PHE 22 HE1 PHE 22 -2.151 3.337 2.915
134 HZ PHE 22 HZ PHE 22 -1.919 4.373 5.137
135 H HIS 23 H HIS 23 -9.621 2.047 4.882
136 HA HIS 23 HA HIS 23 -11.270 0.676 3.111
137 HB2 HIS 23 1HB HIS 23 -13.083 2.234 4.292
138 HB3 HIS 23 2HB HIS 23 -12.298 0.907 5.143
139 HD1 HIS 23 HD1 HIS 23 -12.205 1.819 7.470
140 HD2 HIS 23 HD2 HIS 23 -10.739 4.500 4.655
141 HE1 HIS 23 HE1 HIS 23 -11.219 3.715 8.796
142 H ARG 24 H ARG 24 -10.070 3.902 2.973
143 HA ARG 24 HA ARG 24 -11.745 4.401 0.603
144 HB2 ARG 24 1HB ARG 24 -11.013 6.266 2.845
145 HB3 ARG 24 2HB ARG 24 -11.434 6.883 1.253
146 HG2 ARG 24 1HG ARG 24 -13.479 6.961 2.229
147 HG3 ARG 24 2HG ARG 24 -13.534 5.313 1.600
148 HD2 ARG 24 1HD ARG 24 -14.262 5.099 3.807
149 HD3 ARG 24 2HD ARG 24 -12.566 4.622 3.870
150 HE ARG 24 HE ARG 24 -12.102 6.505 5.120
151 HH11 ARG 24 1HH1 ARG 24 -15.356 6.651 3.892
152 HH12 ARG 24 2HH1 ARG 24 -15.811 7.994 4.888
153 HH21 ARG 24 1HH2 ARG 24 -12.688 8.273 6.437
154 HH22 ARG 24 2HH2 ARG 24 -14.292 8.916 6.334
155 H HIS 25 H HIS 25 -10.746 5.289 -1.168
156 HA HIS 25 HA HIS 25 -8.022 4.806 -1.549
157 HB2 HIS 25 1HB HIS 25 -9.738 4.999 -3.358
158 HB3 HIS 25 2HB HIS 25 -9.733 6.744 -3.118
159 HD1 HIS 25 HD1 HIS 25 -8.617 4.673 -5.546
160 HD2 HIS 25 HD2 HIS 25 -6.571 7.365 -3.131
161 HE1 HIS 25 HE1 HIS 25 -6.502 5.222 -6.791
162 H THR 26 H THR 26 -9.675 7.950 -1.223
163 HA THR 26 HA THR 26 -7.721 9.752 -1.360
164 HB THR 26 HB THR 26 -9.699 9.656 0.927
165 HG1 THR 26 HG1 THR 26 -10.172 11.339 -1.197
166 HG21 THR 26 3HG2 THR 26 -8.129 11.304 1.508
167 HG22 THR 26 1HG2 THR 26 -9.428 12.197 0.719
168 HG23 THR 26 2HG2 THR 26 -7.943 11.840 -0.162
169 H HIS 27 H HIS 27 -8.356 7.949 1.654
170 HA HIS 27 HA HIS 27 -6.249 8.912 3.161
171 HB2 HIS 27 1HB HIS 27 -7.666 6.258 3.154
172 HB3 HIS 27 2HB HIS 27 -6.360 6.591 4.287
173 HD1 HIS 27 HD1 HIS 27 -9.174 6.051 5.341
174 HD2 HIS 27 HD2 HIS 27 -7.714 9.849 4.505
175 HE1 HIS 27 HE1 HIS 27 -10.563 7.625 6.726
176 H LEU 28 H LEU 28 -6.282 6.105 0.983
177 HA LEU 28 HA LEU 28 -3.666 5.244 1.417
178 HB2 LEU 28 1HB LEU 28 -5.046 3.783 0.238
179 HB3 LEU 28 2HB LEU 28 -5.547 5.029 -0.903
180 HG LEU 28 HG LEU 28 -3.027 4.939 -1.630
181 HD11 LEU 28 1HD1 LEU 28 -3.403 2.479 -0.008
182 HD12 LEU 28 2HD1 LEU 28 -1.968 3.479 -0.236
183 HD13 LEU 28 3HD1 LEU 28 -2.473 2.360 -1.502
184 HD21 LEU 28 3HD2 LEU 28 -4.930 4.410 -3.060
185 HD22 LEU 28 1HD2 LEU 28 -5.023 2.796 -2.355
186 HD23 LEU 28 2HD2 LEU 28 -3.614 3.261 -3.309
187 H ASN 29 H ASN 29 -4.837 7.197 -1.334
188 HA ASN 29 HA ASN 29 -2.518 7.813 -2.579
189 HB2 ASN 29 1HB ASN 29 -4.790 8.617 -3.242
190 HB3 ASN 29 2HB ASN 29 -4.672 9.855 -1.995
191 HD21 ASN 29 1HD2 ASN 29 -4.214 11.751 -2.818
192 HD22 ASN 29 2HD2 ASN 29 -3.147 12.063 -4.141
193 H GLU 30 H GLU 30 -3.835 9.608 0.202
194 HA GLU 30 HA GLU 30 -1.776 11.465 0.463
195 HB2 GLU 30 1HB GLU 30 -4.078 11.214 1.707
196 HB3 GLU 30 2HB GLU 30 -3.114 10.348 2.895
197 HG2 GLU 30 1HG GLU 30 -1.587 12.414 2.853
198 HG3 GLU 30 2HG GLU 30 -2.947 13.218 2.070
199 H HIS 31 H HIS 31 -2.191 8.415 2.268
200 HA HIS 31 HA HIS 31 0.142 8.429 3.717
201 HB2 HIS 31 1HB HIS 31 -1.232 6.665 4.280
202 HB3 HIS 31 2HB HIS 31 -1.571 6.254 2.602
203 HD1 HIS 31 HD1 HIS 31 1.067 5.814 5.256
204 HD2 HIS 31 HD2 HIS 31 0.073 4.331 1.504
205 HE1 HIS 31 HE1 HIS 31 2.589 3.846 4.885
206 H ARG 32 H ARG 32 -0.322 7.078 0.455
207 HA ARG 32 HA ARG 32 2.131 6.048 -0.082
208 HB2 ARG 32 1HB ARG 32 0.431 7.729 -1.932
209 HB3 ARG 32 2HB ARG 32 1.772 6.717 -2.454
210 HG2 ARG 32 1HG ARG 32 0.494 4.797 -1.324
211 HG3 ARG 32 2HG ARG 32 -0.888 5.895 -1.357
212 HD2 ARG 32 1HD ARG 32 -0.775 6.063 -3.744
213 HD3 ARG 32 2HD ARG 32 0.743 5.168 -3.783
214 HE ARG 32 HE ARG 32 -1.504 3.747 -2.642
215 HH11 ARG 32 1HH1 ARG 32 0.369 4.433 -5.495
216 HH12 ARG 32 2HH1 ARG 32 -0.133 2.999 -6.328
217 HH21 ARG 32 1HH2 ARG 32 -2.171 1.855 -3.728
218 HH22 ARG 32 2HH2 ARG 32 -1.578 1.534 -5.322
219 H ARG 33 H ARG 33 1.310 9.415 0.261
220 HA ARG 33 HA ARG 33 3.412 10.676 -1.003
221 HB2 ARG 33 1HB ARG 33 2.075 11.407 1.608
222 HB3 ARG 33 2HB ARG 33 3.131 12.479 0.697
223 HG2 ARG 33 1HG ARG 33 1.596 12.568 -1.124
224 HG3 ARG 33 2HG ARG 33 0.600 11.296 -0.414
225 HD2 ARG 33 1HD ARG 33 -0.377 13.524 -0.086
226 HD3 ARG 33 2HD ARG 33 0.025 12.744 1.443
227 HE ARG 33 HE ARG 33 1.610 14.367 1.830
228 HH11 ARG 33 1HH1 ARG 33 0.473 14.583 -1.453
229 HH12 ARG 33 2HH1 ARG 33 1.244 16.105 -1.758
230 HH21 ARG 33 1HH2 ARG 33 2.630 16.370 1.442
231 HH22 ARG 33 2HH2 ARG 33 2.471 17.120 -0.111
232 H ILE 34 H ILE 34 3.340 9.204 2.212
233 HA ILE 34 HA ILE 34 5.859 10.033 3.097
234 HB ILE 34 HB ILE 34 5.752 8.304 4.733
235 HG12 ILE 34 1HG1 ILE 34 3.690 6.642 4.391
236 HG13 ILE 34 2HG1 ILE 34 4.046 6.958 2.696
237 HG21 ILE 34 1HG2 ILE 34 4.217 9.745 5.535
238 HG22 ILE 34 2HG2 ILE 34 3.294 9.762 4.034
239 HG23 ILE 34 3HG2 ILE 34 3.094 8.434 5.176
240 HD11 ILE 34 3HD1 ILE 34 6.281 6.203 4.501
241 HD12 ILE 34 1HD1 ILE 34 5.152 4.957 3.971
242 HD13 ILE 34 2HD1 ILE 34 6.059 5.889 2.780
243 H HIS 35 H HIS 35 4.933 7.570 0.836
244 HA HIS 35 HA HIS 35 7.467 6.200 0.897
245 HB2 HIS 35 1HB HIS 35 5.043 6.006 -0.885
246 HB3 HIS 35 2HB HIS 35 6.511 5.084 -1.197
247 HD1 HIS 35 HD1 HIS 35 7.271 3.947 1.422
248 HD2 HIS 35 HD2 HIS 35 3.295 4.317 0.275
249 HE1 HIS 35 HE1 HIS 35 6.011 2.276 2.816
250 H THR 36 H THR 36 5.944 8.709 -1.013
251 HA THR 36 HA THR 36 8.207 8.777 -2.862
252 HB THR 36 HB THR 36 5.779 8.967 -3.641
253 HG1 THR 36 HG1 THR 36 7.300 11.194 -4.477
254 HG21 THR 36 3HG2 THR 36 4.652 11.029 -3.444
255 HG22 THR 36 1HG2 THR 36 6.086 11.848 -2.828
256 HG23 THR 36 2HG2 THR 36 5.241 10.673 -1.821
257 H GLY 37 H GLY 37 9.449 10.661 -3.209
258 HA2 GLY 37 1HA GLY 37 9.600 13.104 -2.504
259 HA3 GLY 37 2HA GLY 37 9.498 12.461 -0.871
260 H TYR 38 H TYR 38 11.546 13.225 -3.475
261 HA TYR 38 HA TYR 38 13.739 11.540 -2.920
262 HB2 TYR 38 1HB TYR 38 15.000 12.942 -4.365
263 HB3 TYR 38 2HB TYR 38 13.362 12.932 -5.009
264 HD1 TYR 38 HD1 TYR 38 15.789 14.933 -3.057
265 HD2 TYR 38 HD2 TYR 38 12.117 14.937 -5.205
266 HE1 TYR 38 HE1 TYR 38 15.753 17.391 -2.978
267 HE2 TYR 38 HE2 TYR 38 12.070 17.395 -5.133
268 HH TYR 38 HH TYR 38 14.591 19.266 -4.557
269 H ARG 39 H ARG 39 15.644 11.913 -1.771
270 HA ARG 39 HA ARG 39 15.325 13.729 0.495
271 HB2 ARG 39 1HB ARG 39 17.275 12.478 1.433
272 HB3 ARG 39 2HB ARG 39 15.873 11.471 1.096
273 HG2 ARG 39 1HG ARG 39 16.884 10.525 -0.810
274 HG3 ARG 39 2HG ARG 39 18.160 11.744 -0.830
275 HD2 ARG 39 1HD ARG 39 18.803 10.830 1.476
276 HD3 ARG 39 2HD ARG 39 17.779 9.453 1.071
277 HE ARG 39 HE ARG 39 19.786 10.115 -0.903
278 HH11 ARG 39 1HH1 ARG 39 18.981 8.231 1.912
279 HH12 ARG 39 2HH1 ARG 39 20.191 7.028 1.613
280 HH21 ARG 39 1HH2 ARG 39 21.382 8.537 -1.307
281 HH22 ARG 39 2HH2 ARG 39 21.557 7.203 -0.217
282 HA PRO 40 HA PRO 40 18.197 16.684 -1.047
283 HB2 PRO 40 1HB PRO 40 19.019 17.768 1.302
284 HB3 PRO 40 2HB PRO 40 17.424 18.078 0.606
285 HG2 PRO 40 1HG PRO 40 18.207 16.163 2.769
286 HG3 PRO 40 2HG PRO 40 16.804 17.244 2.687
287 HD2 PRO 40 1HD PRO 40 16.642 14.601 2.121
288 HD3 PRO 40 2HD PRO 40 15.624 15.813 1.317
289 H SER 41 H SER 41 20.229 16.485 -1.741
290 HA SER 41 HA SER 41 21.950 14.441 -0.977
291 HB2 SER 41 1HB SER 41 22.760 17.072 -2.236
292 HB3 SER 41 2HB SER 41 23.641 15.546 -2.321
293 HG SER 41 HG SER 41 22.516 15.253 -4.071
294 H GLY 42 H GLY 42 21.942 17.857 -0.005
295 HA2 GLY 42 1HA GLY 42 24.201 18.169 1.414
296 HA3 GLY 42 2HA GLY 42 22.659 18.771 2.003
297 HA PRO 43 HA PRO 43 24.533 15.272 4.686
298 HB2 PRO 43 1HB PRO 43 25.761 16.765 6.592
299 HB3 PRO 43 2HB PRO 43 26.588 16.195 5.137
300 HG2 PRO 43 1HG PRO 43 25.402 18.883 5.711
301 HG3 PRO 43 2HG PRO 43 26.946 18.484 4.936
302 HD2 PRO 43 1HD PRO 43 24.748 19.197 3.524
303 HD3 PRO 43 2HD PRO 43 25.957 18.056 2.899
304 H SER 44 H SER 44 22.496 14.773 5.408
305 HA SER 44 HA SER 44 21.417 16.476 7.558
306 HB2 SER 44 1HB SER 44 19.888 16.625 5.731
307 HB3 SER 44 2HB SER 44 19.956 14.886 5.444
308 HG SER 44 HG SER 44 18.988 16.029 7.850
309 H SER 45 H SER 45 20.263 15.370 9.256
310 HA SER 45 HA SER 45 21.462 12.770 9.835
311 HB2 SER 45 1HB SER 45 20.531 13.190 12.146
312 HB3 SER 45 2HB SER 45 21.721 14.371 11.600
313 HG SER 45 HG SER 45 20.047 15.794 11.138
314 H GLY 46 H GLY 46 20.245 11.327 8.646
315 HA2 GLY 46 1HA GLY 46 17.886 10.345 9.809
316 HA3 GLY 46 2HA GLY 46 17.442 11.339 8.429
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -7.840 -22.681 15.400
2 HA2 GLY 1 1HA GLY 1 -7.138 -19.965 15.479
3 HA3 GLY 1 2HA GLY 1 -7.016 -20.512 13.814
4 H SER 2 H SER 2 -8.738 -19.806 12.746
5 HA SER 2 HA SER 2 -11.351 -20.710 13.421
6 HB2 SER 2 1HB SER 2 -12.429 -18.627 13.921
7 HB3 SER 2 2HB SER 2 -11.048 -18.770 15.009
8 HG SER 2 HG SER 2 -10.302 -17.001 14.180
9 H SER 3 H SER 3 -13.012 -19.776 11.887
10 HA SER 3 HA SER 3 -11.975 -18.586 9.463
11 HB2 SER 3 1HB SER 3 -12.742 -21.471 9.641
12 HB3 SER 3 2HB SER 3 -13.126 -20.582 8.167
13 HG SER 3 HG SER 3 -10.675 -19.939 8.685
14 H GLY 4 H GLY 4 -13.759 -18.294 7.822
15 HA2 GLY 4 1HA GLY 4 -16.472 -18.598 8.492
16 HA3 GLY 4 2HA GLY 4 -15.948 -17.005 9.016
17 H SER 5 H SER 5 -17.934 -17.329 7.116
18 HA SER 5 HA SER 5 -16.580 -16.392 4.671
19 HB2 SER 5 1HB SER 5 -17.669 -18.589 4.341
20 HB3 SER 5 2HB SER 5 -19.209 -17.887 4.837
21 HG SER 5 HG SER 5 -19.047 -16.473 3.044
22 H SER 6 H SER 6 -16.714 -14.220 5.001
23 HA SER 6 HA SER 6 -19.387 -13.060 4.861
24 HB2 SER 6 1HB SER 6 -18.873 -13.082 7.261
25 HB3 SER 6 2HB SER 6 -17.352 -12.244 6.952
26 HG SER 6 HG SER 6 -19.708 -11.081 6.005
27 H GLY 7 H GLY 7 -19.427 -11.607 3.284
28 HA2 GLY 7 1HA GLY 7 -16.948 -10.669 2.117
29 HA3 GLY 7 2HA GLY 7 -18.570 -10.372 1.508
30 H SER 8 H SER 8 -17.211 -9.674 4.709
31 HA SER 8 HA SER 8 -18.146 -6.926 4.454
32 HB2 SER 8 1HB SER 8 -16.948 -8.357 6.838
33 HB3 SER 8 2HB SER 8 -17.691 -6.758 6.857
34 HG SER 8 HG SER 8 -19.358 -7.983 7.403
35 H GLY 9 H GLY 9 -15.148 -8.537 5.541
36 HA2 GLY 9 1HA GLY 9 -13.528 -6.280 5.620
37 HA3 GLY 9 2HA GLY 9 -12.948 -7.915 5.344
38 H GLU 10 H GLU 10 -13.849 -4.899 3.876
39 HA GLU 10 HA GLU 10 -12.775 -5.881 1.313
40 HB2 GLU 10 1HB GLU 10 -15.165 -4.215 1.917
41 HB3 GLU 10 2HB GLU 10 -14.243 -3.814 0.475
42 HG2 GLU 10 1HG GLU 10 -15.467 -6.490 1.107
43 HG3 GLU 10 2HG GLU 10 -16.084 -5.307 -0.045
44 H LYS 11 H LYS 11 -10.765 -5.112 1.176
45 HA LYS 11 HA LYS 11 -10.370 -2.227 1.551
46 HB2 LYS 11 1HB LYS 11 -8.895 -4.466 2.850
47 HB3 LYS 11 2HB LYS 11 -7.969 -3.056 2.350
48 HG2 LYS 11 1HG LYS 11 -8.988 -1.674 3.868
49 HG3 LYS 11 2HG LYS 11 -10.451 -2.659 3.946
50 HD2 LYS 11 1HD LYS 11 -9.009 -4.437 5.054
51 HD3 LYS 11 2HD LYS 11 -7.777 -3.184 5.222
52 HE2 LYS 11 1HE LYS 11 -10.594 -2.860 6.231
53 HE3 LYS 11 2HE LYS 11 -9.298 -3.540 7.214
54 HZ1 LYS 11 3HZ LYS 11 -9.770 -0.794 6.420
55 HZ2 LYS 11 1HZ LYS 11 -8.156 -1.296 6.334
56 HZ3 LYS 11 2HZ LYS 11 -8.999 -1.408 7.795
57 HA PRO 12 HA PRO 12 -8.780 -3.788 -2.542
58 HB2 PRO 12 1HB PRO 12 -10.022 -1.886 -4.029
59 HB3 PRO 12 2HB PRO 12 -10.793 -3.412 -3.583
60 HG2 PRO 12 1HG PRO 12 -11.084 -0.707 -2.334
61 HG3 PRO 12 2HG PRO 12 -12.335 -1.908 -2.707
62 HD2 PRO 12 1HD PRO 12 -11.329 -1.578 -0.215
63 HD3 PRO 12 2HD PRO 12 -11.879 -3.153 -0.821
64 H TYR 13 H TYR 13 -8.676 -0.910 -0.702
65 HA TYR 13 HA TYR 13 -6.787 0.414 -2.481
66 HB2 TYR 13 1HB TYR 13 -7.562 1.394 0.253
67 HB3 TYR 13 2HB TYR 13 -7.039 2.328 -1.144
68 HD1 TYR 13 HD2 TYR 13 -9.851 0.297 0.179
69 HD2 TYR 13 HD1 TYR 13 -8.609 3.231 -2.641
70 HE1 TYR 13 HE2 TYR 13 -12.201 0.710 -0.418
71 HE2 TYR 13 HE1 TYR 13 -10.956 3.653 -3.245
72 HH TYR 13 HH TYR 13 -13.603 2.158 -1.482
73 H LYS 14 H LYS 14 -5.895 -2.047 -1.502
74 HA LYS 14 HA LYS 14 -4.256 -1.774 0.802
75 HB2 LYS 14 1HB LYS 14 -4.964 -3.966 0.056
76 HB3 LYS 14 2HB LYS 14 -4.159 -3.741 -1.491
77 HG2 LYS 14 1HG LYS 14 -2.687 -5.095 -0.340
78 HG3 LYS 14 2HG LYS 14 -2.014 -3.484 -0.076
79 HD2 LYS 14 1HD LYS 14 -3.055 -3.379 2.114
80 HD3 LYS 14 2HD LYS 14 -3.826 -4.944 1.847
81 HE2 LYS 14 1HE LYS 14 -0.842 -4.531 1.827
82 HE3 LYS 14 2HE LYS 14 -1.750 -4.988 3.267
83 HZ1 LYS 14 3HZ LYS 14 -2.437 -6.684 1.115
84 HZ2 LYS 14 1HZ LYS 14 -1.747 -7.087 2.606
85 HZ3 LYS 14 2HZ LYS 14 -0.756 -6.666 1.302
86 H CYS 15 H CYS 15 -2.115 -1.279 1.016
87 HA CYS 15 HA CYS 15 -0.903 0.129 -1.232
88 HB2 CYS 15 1HB CYS 15 -0.890 1.341 0.839
89 HB3 CYS 15 2HB CYS 15 -0.196 -0.029 1.700
90 H SER 16 H SER 16 0.437 -0.901 -2.542
91 HA SER 16 HA SER 16 1.731 -3.361 -1.655
92 HB2 SER 16 1HB SER 16 2.268 -3.701 -4.021
93 HB3 SER 16 2HB SER 16 0.551 -3.353 -3.824
94 HG SER 16 HG SER 16 2.236 -1.184 -4.260
95 H GLU 17 H GLU 17 2.701 -0.995 -0.477
96 HA GLU 17 HA GLU 17 5.407 -0.882 -1.638
97 HB2 GLU 17 1HB GLU 17 3.960 1.372 -0.237
98 HB3 GLU 17 2HB GLU 17 5.590 1.437 -0.891
99 HG2 GLU 17 1HG GLU 17 4.373 2.477 -2.535
100 HG3 GLU 17 2HG GLU 17 4.449 0.821 -3.132
101 H CYS 18 H CYS 18 3.468 -0.561 1.312
102 HA CYS 18 HA CYS 18 5.810 -1.481 2.847
103 HB2 CYS 18 1HB CYS 18 4.894 -0.188 4.773
104 HB3 CYS 18 2HB CYS 18 5.393 0.825 3.423
105 H GLY 19 H GLY 19 2.254 -1.336 2.808
106 HA2 GLY 19 1HA GLY 19 1.235 -3.648 2.921
107 HA3 GLY 19 2HA GLY 19 2.235 -3.854 4.352
108 H LYS 20 H LYS 20 0.124 -1.229 3.184
109 HA LYS 20 HA LYS 20 -1.444 -1.502 5.656
110 HB2 LYS 20 1HB LYS 20 -0.101 0.942 4.564
111 HB3 LYS 20 2HB LYS 20 -1.609 1.112 5.453
112 HG2 LYS 20 1HG LYS 20 -0.670 0.281 7.430
113 HG3 LYS 20 2HG LYS 20 0.729 -0.387 6.585
114 HD2 LYS 20 1HD LYS 20 1.479 1.892 6.055
115 HD3 LYS 20 2HD LYS 20 0.092 2.544 6.931
116 HE2 LYS 20 1HE LYS 20 2.230 0.793 8.140
117 HE3 LYS 20 2HE LYS 20 2.187 2.552 8.256
118 HZ1 LYS 20 3HZ LYS 20 0.287 0.603 9.421
119 HZ2 LYS 20 1HZ LYS 20 -0.079 2.249 9.285
120 HZ3 LYS 20 2HZ LYS 20 1.234 1.751 10.227
121 H ALA 21 H ALA 21 -3.536 -1.730 5.247
122 HA ALA 21 HA ALA 21 -4.550 -0.952 2.606
123 HB1 ALA 21 3HB ALA 21 -5.078 -3.159 4.420
124 HB2 ALA 21 1HB ALA 21 -6.555 -2.385 3.843
125 HB3 ALA 21 2HB ALA 21 -5.382 -3.019 2.688
126 H PHE 22 H PHE 22 -6.416 0.282 2.364
127 HA PHE 22 HA PHE 22 -7.414 1.606 4.796
128 HB2 PHE 22 1HB PHE 22 -7.028 3.014 2.154
129 HB3 PHE 22 2HB PHE 22 -7.431 3.735 3.709
130 HD1 PHE 22 HD1 PHE 22 -4.756 2.081 1.782
131 HD2 PHE 22 HD2 PHE 22 -5.750 4.328 5.257
132 HE1 PHE 22 HE1 PHE 22 -2.364 2.456 2.220
133 HE2 PHE 22 HE2 PHE 22 -3.360 4.707 5.701
134 HZ PHE 22 HZ PHE 22 -1.663 3.771 4.181
135 H HIS 23 H HIS 23 -9.494 2.899 4.211
136 HA HIS 23 HA HIS 23 -11.249 1.036 2.780
137 HB2 HIS 23 1HB HIS 23 -13.064 1.946 4.050
138 HB3 HIS 23 2HB HIS 23 -11.742 1.641 5.172
139 HD1 HIS 23 HD1 HIS 23 -13.987 4.267 3.992
140 HD2 HIS 23 HD2 HIS 23 -10.331 4.064 5.954
141 HE1 HIS 23 HE1 HIS 23 -13.636 6.545 4.997
142 H ARG 24 H ARG 24 -10.413 4.466 2.997
143 HA ARG 24 HA ARG 24 -11.900 4.927 0.497
144 HB2 ARG 24 1HB ARG 24 -11.279 6.680 2.844
145 HB3 ARG 24 2HB ARG 24 -11.536 7.410 1.265
146 HG2 ARG 24 1HG ARG 24 -13.532 5.484 2.377
147 HG3 ARG 24 2HG ARG 24 -13.525 7.171 2.895
148 HD2 ARG 24 1HD ARG 24 -14.964 7.314 1.128
149 HD3 ARG 24 2HD ARG 24 -13.438 7.609 0.297
150 HE ARG 24 HE ARG 24 -13.664 5.592 -0.782
151 HH11 ARG 24 1HH1 ARG 24 -15.978 5.799 1.811
152 HH12 ARG 24 2HH1 ARG 24 -16.846 4.382 1.324
153 HH21 ARG 24 1HH2 ARG 24 -14.799 3.724 -1.433
154 HH22 ARG 24 2HH2 ARG 24 -16.174 3.201 -0.521
155 H HIS 25 H HIS 25 -10.923 6.087 -1.183
156 HA HIS 25 HA HIS 25 -8.242 5.535 -1.694
157 HB2 HIS 25 1HB HIS 25 -10.311 7.272 -2.933
158 HB3 HIS 25 2HB HIS 25 -8.635 7.584 -3.377
159 HD1 HIS 25 HD1 HIS 25 -11.357 5.893 -4.684
160 HD2 HIS 25 HD2 HIS 25 -7.423 4.756 -3.981
161 HE1 HIS 25 HE1 HIS 25 -10.944 3.928 -6.198
162 H THR 26 H THR 26 -9.706 8.673 -0.840
163 HA THR 26 HA THR 26 -7.648 10.369 -0.780
164 HB THR 26 HB THR 26 -8.588 11.245 1.477
165 HG1 THR 26 HG1 THR 26 -10.076 8.946 1.032
166 HG21 THR 26 3HG2 THR 26 -9.391 12.558 -0.171
167 HG22 THR 26 1HG2 THR 26 -10.884 11.654 0.079
168 HG23 THR 26 2HG2 THR 26 -9.777 11.187 -1.212
169 H HIS 27 H HIS 27 -8.201 7.863 1.660
170 HA HIS 27 HA HIS 27 -6.016 8.576 3.318
171 HB2 HIS 27 1HB HIS 27 -7.720 6.121 3.032
172 HB3 HIS 27 2HB HIS 27 -6.302 6.098 4.075
173 HD1 HIS 27 HD1 HIS 27 -8.976 5.692 5.387
174 HD2 HIS 27 HD2 HIS 27 -7.291 9.450 4.835
175 HE1 HIS 27 HE1 HIS 27 -10.062 7.175 7.103
176 H LEU 28 H LEU 28 -6.368 5.742 1.173
177 HA LEU 28 HA LEU 28 -3.817 4.783 1.247
178 HB2 LEU 28 1HB LEU 28 -5.561 3.639 0.055
179 HB3 LEU 28 2HB LEU 28 -5.680 4.952 -1.114
180 HG LEU 28 HG LEU 28 -3.381 4.388 -1.888
181 HD11 LEU 28 1HD1 LEU 28 -2.094 2.985 -0.756
182 HD12 LEU 28 2HD1 LEU 28 -3.298 1.706 -0.915
183 HD13 LEU 28 3HD1 LEU 28 -3.369 2.818 0.452
184 HD21 LEU 28 3HD2 LEU 28 -4.796 1.843 -2.224
185 HD22 LEU 28 1HD2 LEU 28 -4.246 3.008 -3.429
186 HD23 LEU 28 2HD2 LEU 28 -5.767 3.274 -2.575
187 H ASN 29 H ASN 29 -5.031 7.338 -0.903
188 HA ASN 29 HA ASN 29 -2.634 7.788 -2.290
189 HB2 ASN 29 1HB ASN 29 -5.026 8.655 -2.782
190 HB3 ASN 29 2HB ASN 29 -4.605 9.982 -1.703
191 HD21 ASN 29 1HD2 ASN 29 -4.366 11.659 -3.021
192 HD22 ASN 29 2HD2 ASN 29 -3.305 11.714 -4.384
193 H GLU 30 H GLU 30 -4.048 9.889 0.226
194 HA GLU 30 HA GLU 30 -1.930 11.544 0.680
195 HB2 GLU 30 1HB GLU 30 -4.031 10.449 2.518
196 HB3 GLU 30 2HB GLU 30 -2.770 11.497 3.152
197 HG2 GLU 30 1HG GLU 30 -3.522 13.010 1.112
198 HG3 GLU 30 2HG GLU 30 -5.028 12.122 1.340
199 H HIS 31 H HIS 31 -2.292 8.227 1.719
200 HA HIS 31 HA HIS 31 -0.099 8.242 3.549
201 HB2 HIS 31 1HB HIS 31 -1.608 6.528 3.989
202 HB3 HIS 31 2HB HIS 31 -1.795 6.118 2.286
203 HD1 HIS 31 HD1 HIS 31 0.570 5.644 5.179
204 HD2 HIS 31 HD2 HIS 31 -0.067 4.185 1.341
205 HE1 HIS 31 HE1 HIS 31 2.100 3.661 4.951
206 H ARG 32 H ARG 32 -0.517 7.104 0.209
207 HA ARG 32 HA ARG 32 1.942 5.992 -0.268
208 HB2 ARG 32 1HB ARG 32 0.088 7.565 -2.032
209 HB3 ARG 32 2HB ARG 32 1.615 6.955 -2.654
210 HG2 ARG 32 1HG ARG 32 0.966 4.695 -2.221
211 HG3 ARG 32 2HG ARG 32 -0.487 5.227 -1.372
212 HD2 ARG 32 1HD ARG 32 -1.237 4.596 -3.501
213 HD3 ARG 32 2HD ARG 32 -1.147 6.356 -3.560
214 HE ARG 32 HE ARG 32 1.243 5.073 -4.486
215 HH11 ARG 32 1HH1 ARG 32 -1.952 6.123 -5.383
216 HH12 ARG 32 2HH1 ARG 32 -1.574 6.263 -7.068
217 HH21 ARG 32 1HH2 ARG 32 1.753 5.254 -6.701
218 HH22 ARG 32 2HH2 ARG 32 0.534 5.769 -7.817
219 H ARG 33 H ARG 33 1.237 9.265 0.422
220 HA ARG 33 HA ARG 33 3.222 10.669 -0.891
221 HB2 ARG 33 1HB ARG 33 2.041 11.056 1.858
222 HB3 ARG 33 2HB ARG 33 3.163 12.200 1.135
223 HG2 ARG 33 1HG ARG 33 1.434 12.117 -0.851
224 HG3 ARG 33 2HG ARG 33 0.340 11.607 0.436
225 HD2 ARG 33 1HD ARG 33 0.096 13.913 0.440
226 HD3 ARG 33 2HD ARG 33 1.279 13.644 1.719
227 HE ARG 33 HE ARG 33 2.883 14.680 0.427
228 HH11 ARG 33 1HH1 ARG 33 0.005 14.130 -1.453
229 HH12 ARG 33 2HH1 ARG 33 0.521 15.124 -2.775
230 HH21 ARG 33 1HH2 ARG 33 3.574 15.992 -1.307
231 HH22 ARG 33 2HH2 ARG 33 2.551 16.182 -2.691
232 H ILE 34 H ILE 34 3.431 9.065 2.280
233 HA ILE 34 HA ILE 34 6.060 9.701 2.894
234 HB ILE 34 HB ILE 34 6.073 7.825 4.399
235 HG12 ILE 34 1HG1 ILE 34 3.454 6.798 3.409
236 HG13 ILE 34 2HG1 ILE 34 4.903 6.369 2.506
237 HG21 ILE 34 1HG2 ILE 34 3.488 8.149 5.183
238 HG22 ILE 34 2HG2 ILE 34 4.800 9.269 5.548
239 HG23 ILE 34 3HG2 ILE 34 3.735 9.575 4.175
240 HD11 ILE 34 3HD1 ILE 34 3.961 4.893 4.497
241 HD12 ILE 34 1HD1 ILE 34 5.684 5.018 4.142
242 HD13 ILE 34 2HD1 ILE 34 4.977 5.986 5.436
243 H HIS 35 H HIS 35 4.855 7.632 0.455
244 HA HIS 35 HA HIS 35 7.369 6.174 0.190
245 HB2 HIS 35 1HB HIS 35 4.699 5.950 -1.195
246 HB3 HIS 35 2HB HIS 35 6.119 5.061 -1.738
247 HD1 HIS 35 HD1 HIS 35 7.278 3.690 0.475
248 HD2 HIS 35 HD2 HIS 35 3.191 4.437 0.441
249 HE1 HIS 35 HE1 HIS 35 6.279 2.035 2.083
250 H THR 36 H THR 36 5.677 8.850 -1.180
251 HA THR 36 HA THR 36 7.638 9.000 -3.373
252 HB THR 36 HB THR 36 6.008 10.634 -4.407
253 HG1 THR 36 HG1 THR 36 3.948 9.529 -2.900
254 HG21 THR 36 3HG2 THR 36 4.868 7.876 -3.968
255 HG22 THR 36 1HG2 THR 36 6.221 8.214 -5.047
256 HG23 THR 36 2HG2 THR 36 4.639 8.924 -5.368
257 H GLY 37 H GLY 37 9.074 10.616 -3.383
258 HA2 GLY 37 1HA GLY 37 8.627 12.851 -1.500
259 HA3 GLY 37 2HA GLY 37 10.209 12.145 -1.800
260 H TYR 38 H TYR 38 11.048 12.328 -4.036
261 HA TYR 38 HA TYR 38 9.944 14.565 -5.558
262 HB2 TYR 38 1HB TYR 38 11.634 15.490 -3.967
263 HB3 TYR 38 2HB TYR 38 12.849 14.463 -4.720
264 HD1 TYR 38 HD1 TYR 38 10.562 17.310 -5.308
265 HD2 TYR 38 HD2 TYR 38 13.886 15.087 -6.761
266 HE1 TYR 38 HE1 TYR 38 10.991 19.059 -6.984
267 HE2 TYR 38 HE2 TYR 38 14.325 16.830 -8.440
268 HH TYR 38 HH TYR 38 13.714 19.516 -8.508
269 H ARG 39 H ARG 39 10.624 14.641 -7.741
270 HA ARG 39 HA ARG 39 12.017 12.222 -8.680
271 HB2 ARG 39 1HB ARG 39 9.576 13.551 -9.865
272 HB3 ARG 39 2HB ARG 39 10.518 12.320 -10.694
273 HG2 ARG 39 1HG ARG 39 9.256 11.865 -8.007
274 HG3 ARG 39 2HG ARG 39 8.428 11.533 -9.529
275 HD2 ARG 39 1HD ARG 39 9.924 9.837 -10.110
276 HD3 ARG 39 2HD ARG 39 11.139 10.391 -8.958
277 HE ARG 39 HE ARG 39 10.069 9.215 -7.295
278 HH11 ARG 39 1HH1 ARG 39 8.063 9.332 -10.138
279 HH12 ARG 39 2HH1 ARG 39 6.929 8.165 -9.545
280 HH21 ARG 39 1HH2 ARG 39 8.583 7.676 -6.503
281 HH22 ARG 39 2HH2 ARG 39 7.225 7.224 -7.477
282 HA PRO 40 HA PRO 40 14.707 14.998 -10.789
283 HB2 PRO 40 1HB PRO 40 15.689 13.291 -12.658
284 HB3 PRO 40 2HB PRO 40 16.157 13.224 -10.955
285 HG2 PRO 40 1HG PRO 40 14.159 11.559 -12.437
286 HG3 PRO 40 2HG PRO 40 15.371 11.055 -11.245
287 HD2 PRO 40 1HD PRO 40 12.760 11.396 -10.613
288 HD3 PRO 40 2HD PRO 40 14.071 11.713 -9.458
289 H SER 41 H SER 41 11.858 13.830 -12.046
290 HA SER 41 HA SER 41 12.261 15.067 -14.677
291 HB2 SER 41 1HB SER 41 11.312 12.738 -14.530
292 HB3 SER 41 2HB SER 41 9.892 13.431 -13.747
293 HG SER 41 HG SER 41 10.855 13.980 -16.359
294 H GLY 42 H GLY 42 12.118 17.241 -14.128
295 HA2 GLY 42 1HA GLY 42 9.416 18.112 -13.316
296 HA3 GLY 42 2HA GLY 42 10.855 18.859 -12.639
297 HA PRO 43 HA PRO 43 9.390 21.062 -16.556
298 HB2 PRO 43 1HB PRO 43 8.656 23.393 -15.375
299 HB3 PRO 43 2HB PRO 43 7.542 22.041 -15.606
300 HG2 PRO 43 1HG PRO 43 9.064 22.844 -13.157
301 HG3 PRO 43 2HG PRO 43 7.379 22.312 -13.302
302 HD2 PRO 43 1HD PRO 43 9.362 20.662 -12.477
303 HD3 PRO 43 2HD PRO 43 7.960 20.083 -13.399
304 H SER 44 H SER 44 11.682 21.310 -14.131
305 HA SER 44 HA SER 44 12.909 23.782 -14.897
306 HB2 SER 44 1HB SER 44 13.963 21.463 -13.260
307 HB3 SER 44 2HB SER 44 14.783 23.013 -13.449
308 HG SER 44 HG SER 44 12.577 22.346 -11.926
309 H SER 45 H SER 45 13.245 23.652 -17.124
310 HA SER 45 HA SER 45 14.433 21.568 -18.522
311 HB2 SER 45 1HB SER 45 14.615 24.537 -19.086
312 HB3 SER 45 2HB SER 45 14.989 23.257 -20.239
313 HG SER 45 HG SER 45 12.837 24.107 -20.435
314 H GLY 46 H GLY 46 15.996 24.473 -17.166
315 HA2 GLY 46 1HA GLY 46 18.589 23.096 -17.447
316 HA3 GLY 46 2HA GLY 46 18.379 24.839 -17.368