Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504489 | 2em5 RC | 10196 | 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 1.081 -23.317 -19.680
2 HA2 GLY 1 1HA GLY 1 1.739 -23.992 -16.897
3 HA3 GLY 1 2HA GLY 1 2.718 -23.007 -17.973
4 H SER 2 H SER 2 1.715 -20.894 -18.638
5 HA SER 2 HA SER 2 0.969 -18.829 -18.044
6 HB2 SER 2 1HB SER 2 -1.234 -19.920 -18.213
7 HB3 SER 2 2HB SER 2 -1.120 -20.409 -16.522
8 HG SER 2 HG SER 2 -1.893 -18.529 -16.042
9 H SER 3 H SER 3 3.089 -19.795 -16.543
10 HA SER 3 HA SER 3 2.611 -19.437 -13.739
11 HB2 SER 3 1HB SER 3 4.493 -20.800 -14.946
12 HB3 SER 3 2HB SER 3 5.341 -19.254 -14.971
13 HG SER 3 HG SER 3 5.895 -20.315 -13.092
14 H GLY 4 H GLY 4 1.571 -17.344 -13.815
15 HA2 GLY 4 1HA GLY 4 3.361 -15.228 -13.207
16 HA3 GLY 4 2HA GLY 4 2.679 -15.000 -14.810
17 H SER 5 H SER 5 0.670 -14.177 -15.012
18 HA SER 5 HA SER 5 -1.074 -12.846 -14.310
19 HB2 SER 5 1HB SER 5 -2.820 -14.150 -13.188
20 HB3 SER 5 2HB SER 5 -2.042 -15.113 -14.444
21 HG SER 5 HG SER 5 -2.049 -15.444 -11.704
22 H SER 6 H SER 6 1.178 -12.183 -12.851
23 HA SER 6 HA SER 6 0.677 -12.222 -10.039
24 HB2 SER 6 1HB SER 6 2.938 -11.952 -11.295
25 HB3 SER 6 2HB SER 6 2.504 -10.245 -11.377
26 HG SER 6 HG SER 6 2.629 -11.773 -8.988
27 H GLY 7 H GLY 7 -1.515 -11.402 -10.034
28 HA2 GLY 7 1HA GLY 7 -1.584 -8.580 -9.526
29 HA3 GLY 7 2HA GLY 7 -2.446 -9.013 -10.994
30 H SER 8 H SER 8 -2.263 -9.658 -7.521
31 HA SER 8 HA SER 8 -5.027 -10.641 -7.587
32 HB2 SER 8 1HB SER 8 -3.070 -10.737 -5.281
33 HB3 SER 8 2HB SER 8 -4.611 -11.586 -5.403
34 HG SER 8 HG SER 8 -3.661 -13.090 -6.514
35 H SER 9 H SER 9 -6.265 -10.047 -5.480
36 HA SER 9 HA SER 9 -5.782 -7.259 -4.719
37 HB2 SER 9 1HB SER 9 -8.241 -6.796 -5.006
38 HB3 SER 9 2HB SER 9 -7.364 -7.047 -6.516
39 HG SER 9 HG SER 9 -9.460 -8.400 -5.556
40 H THR 10 H THR 10 -5.703 -7.188 -2.585
41 HA THR 10 HA THR 10 -7.172 -9.189 -1.024
42 HB THR 10 HB THR 10 -5.748 -8.435 0.879
43 HG1 THR 10 HG1 THR 10 -5.335 -6.311 -0.209
44 HG21 THR 10 3HG2 THR 10 -4.313 -9.343 -1.617
45 HG22 THR 10 1HG2 THR 10 -5.059 -10.369 -0.393
46 HG23 THR 10 2HG2 THR 10 -3.634 -9.409 0.009
47 H LYS 11 H LYS 11 -6.863 -5.739 -1.535
48 HA LYS 11 HA LYS 11 -9.351 -5.329 -0.069
49 HB2 LYS 11 1HB LYS 11 -7.144 -4.882 1.331
50 HB3 LYS 11 2HB LYS 11 -7.166 -3.362 0.447
51 HG2 LYS 11 1HG LYS 11 -9.033 -2.606 1.511
52 HG3 LYS 11 2HG LYS 11 -9.670 -4.230 1.784
53 HD2 LYS 11 1HD LYS 11 -7.151 -3.464 3.166
54 HD3 LYS 11 2HD LYS 11 -8.663 -2.772 3.755
55 HE2 LYS 11 1HE LYS 11 -8.602 -4.680 5.007
56 HE3 LYS 11 2HE LYS 11 -9.465 -5.282 3.593
57 HZ1 LYS 11 3HZ LYS 11 -6.536 -5.528 4.014
58 HZ2 LYS 11 1HZ LYS 11 -7.427 -6.187 2.735
59 HZ3 LYS 11 2HZ LYS 11 -7.659 -6.758 4.310
60 H SER 12 H SER 12 -10.462 -3.406 -0.647
61 HA SER 12 HA SER 12 -10.402 -2.736 -3.332
62 HB2 SER 12 1HB SER 12 -11.633 -1.517 -0.905
63 HB3 SER 12 2HB SER 12 -11.606 -0.555 -2.383
64 HG SER 12 HG SER 12 -12.741 -3.131 -2.027
65 H HIS 13 H HIS 13 -9.348 -0.629 -0.650
66 HA HIS 13 HA HIS 13 -7.779 0.951 -2.536
67 HB2 HIS 13 1HB HIS 13 -8.055 1.475 0.418
68 HB3 HIS 13 2HB HIS 13 -7.655 2.618 -0.860
69 HD1 HIS 13 HD1 HIS 13 -9.771 2.836 -2.701
70 HD2 HIS 13 HD2 HIS 13 -10.624 1.691 1.201
71 HE1 HIS 13 HE1 HIS 13 -12.220 3.309 -2.382
72 H GLN 14 H GLN 14 -5.865 0.046 -2.996
73 HA GLN 14 HA GLN 14 -4.224 -0.920 -0.748
74 HB2 GLN 14 1HB GLN 14 -4.980 -2.513 -2.680
75 HB3 GLN 14 2HB GLN 14 -3.707 -1.713 -3.591
76 HG2 GLN 14 1HG GLN 14 -2.181 -2.310 -1.630
77 HG3 GLN 14 2HG GLN 14 -3.469 -3.407 -1.134
78 HE21 GLN 14 1HE2 GLN 14 -0.769 -2.980 -3.101
79 HE22 GLN 14 2HE2 GLN 14 -0.911 -4.424 -4.040
80 H CYS 15 H CYS 15 -2.077 -0.298 -0.619
81 HA CYS 15 HA CYS 15 -1.444 2.170 -2.025
82 HB2 CYS 15 1HB CYS 15 -1.135 2.003 0.434
83 HB3 CYS 15 2HB CYS 15 0.082 0.758 0.173
84 H HIS 16 H HIS 16 0.468 2.506 -3.203
85 HA HIS 16 HA HIS 16 1.584 0.047 -4.360
86 HB2 HIS 16 1HB HIS 16 0.431 1.891 -5.779
87 HB3 HIS 16 2HB HIS 16 1.927 2.789 -5.542
88 HD1 HIS 16 HD1 HIS 16 1.434 -0.895 -6.354
89 HD2 HIS 16 HD2 HIS 16 3.226 2.519 -7.902
90 HE1 HIS 16 HE1 HIS 16 2.670 -1.657 -8.407
91 H GLU 17 H GLU 17 2.347 2.752 -2.413
92 HA GLU 17 HA GLU 17 5.126 2.932 -2.942
93 HB2 GLU 17 1HB GLU 17 3.763 3.634 -0.343
94 HB3 GLU 17 2HB GLU 17 5.258 4.301 -0.986
95 HG2 GLU 17 1HG GLU 17 2.486 4.713 -2.081
96 HG3 GLU 17 2HG GLU 17 3.477 5.897 -1.231
97 H CYS 18 H CYS 18 3.218 1.111 -0.589
98 HA CYS 18 HA CYS 18 5.639 -0.444 0.049
99 HB2 CYS 18 1HB CYS 18 4.683 -0.809 2.309
100 HB3 CYS 18 2HB CYS 18 5.032 0.886 1.984
101 H GLY 19 H GLY 19 2.122 -0.478 -0.311
102 HA2 GLY 19 1HA GLY 19 1.142 -2.276 -1.627
103 HA3 GLY 19 2HA GLY 19 2.316 -3.364 -0.902
104 H ARG 20 H ARG 20 0.541 -0.935 0.900
105 HA ARG 20 HA ARG 20 -0.525 -3.010 2.621
106 HB2 ARG 20 1HB ARG 20 -0.240 -0.052 2.758
107 HB3 ARG 20 2HB ARG 20 -1.538 -0.781 3.693
108 HG2 ARG 20 1HG ARG 20 0.328 -2.370 4.554
109 HG3 ARG 20 2HG ARG 20 1.413 -1.099 3.987
110 HD2 ARG 20 1HD ARG 20 1.080 -0.374 6.121
111 HD3 ARG 20 2HD ARG 20 -0.275 0.432 5.333
112 HE ARG 20 HE ARG 20 -0.964 -2.163 6.315
113 HH11 ARG 20 1HH1 ARG 20 -0.537 1.173 7.214
114 HH12 ARG 20 2HH1 ARG 20 -1.620 1.083 8.564
115 HH21 ARG 20 1HH2 ARG 20 -2.391 -2.294 8.089
116 HH22 ARG 20 2HH2 ARG 20 -2.673 -0.889 9.061
117 H GLY 21 H GLY 21 -2.856 -2.688 3.404
118 HA2 GLY 21 1HA GLY 21 -4.606 -1.941 1.152
119 HA3 GLY 21 2HA GLY 21 -4.788 -3.503 1.936
120 H PHE 22 H PHE 22 -6.519 -1.007 1.672
121 HA PHE 22 HA PHE 22 -7.341 -0.967 4.482
122 HB2 PHE 22 1HB PHE 22 -7.037 1.519 2.783
123 HB3 PHE 22 2HB PHE 22 -7.692 1.464 4.416
124 HD1 PHE 22 HD2 PHE 22 -4.662 1.231 2.379
125 HD2 PHE 22 HD1 PHE 22 -6.254 1.201 6.326
126 HE1 PHE 22 HE2 PHE 22 -2.397 1.537 3.291
127 HE2 PHE 22 HE1 PHE 22 -3.992 1.509 7.244
128 HZ PHE 22 HZ PHE 22 -2.060 1.676 5.726
129 H THR 23 H THR 23 -9.521 -0.884 4.804
130 HA THR 23 HA THR 23 -11.195 -1.528 2.574
131 HB THR 23 HB THR 23 -12.076 -0.875 5.390
132 HG1 THR 23 HG1 THR 23 -10.433 -2.628 5.092
133 HG21 THR 23 3HG2 THR 23 -13.601 -1.279 3.165
134 HG22 THR 23 1HG2 THR 23 -14.125 -1.610 4.815
135 HG23 THR 23 2HG2 THR 23 -13.483 -2.913 3.815
136 H LEU 24 H LEU 24 -10.972 1.241 4.792
137 HA LEU 24 HA LEU 24 -12.860 2.727 3.125
138 HB2 LEU 24 1HB LEU 24 -11.717 3.143 5.862
139 HB3 LEU 24 2HB LEU 24 -12.500 4.465 4.999
140 HG LEU 24 HG LEU 24 -13.870 1.848 5.585
141 HD11 LEU 24 1HD1 LEU 24 -13.026 3.441 7.561
142 HD12 LEU 24 2HD1 LEU 24 -14.552 2.560 7.618
143 HD13 LEU 24 3HD1 LEU 24 -14.533 4.261 7.154
144 HD21 LEU 24 3HD2 LEU 24 -14.530 4.187 4.067
145 HD22 LEU 24 1HD2 LEU 24 -15.644 4.021 5.425
146 HD23 LEU 24 2HD2 LEU 24 -15.450 2.696 4.278
147 H LYS 25 H LYS 25 -12.111 3.954 1.543
148 HA LYS 25 HA LYS 25 -9.608 4.413 0.720
149 HB2 LYS 25 1HB LYS 25 -11.472 5.222 -0.564
150 HB3 LYS 25 2HB LYS 25 -11.896 6.383 0.688
151 HG2 LYS 25 1HG LYS 25 -10.833 7.768 -0.762
152 HG3 LYS 25 2HG LYS 25 -9.450 7.257 0.208
153 HD2 LYS 25 1HD LYS 25 -10.249 5.756 -2.263
154 HD3 LYS 25 2HD LYS 25 -9.240 7.201 -2.361
155 HE2 LYS 25 1HE LYS 25 -7.841 5.972 -0.518
156 HE3 LYS 25 2HE LYS 25 -8.639 4.536 -1.158
157 HZ1 LYS 25 3HZ LYS 25 -6.412 5.191 -2.159
158 HZ2 LYS 25 1HZ LYS 25 -7.245 6.444 -2.932
159 HZ3 LYS 25 2HZ LYS 25 -7.665 4.835 -3.238
160 H SER 26 H SER 26 -11.296 6.581 2.990
161 HA SER 26 HA SER 26 -9.391 8.461 3.463
162 HB2 SER 26 1HB SER 26 -11.501 8.638 4.575
163 HB3 SER 26 2HB SER 26 -11.247 7.119 5.435
164 HG SER 26 HG SER 26 -10.073 9.634 5.873
165 H HIS 27 H HIS 27 -9.636 5.361 5.206
166 HA HIS 27 HA HIS 27 -7.551 5.485 6.917
167 HB2 HIS 27 1HB HIS 27 -8.407 3.175 5.175
168 HB3 HIS 27 2HB HIS 27 -7.193 3.010 6.440
169 HD1 HIS 27 HD1 HIS 27 -9.805 1.419 6.598
170 HD2 HIS 27 HD2 HIS 27 -9.242 5.133 8.373
171 HE1 HIS 27 HE1 HIS 27 -11.491 1.536 8.460
172 H LEU 28 H LEU 28 -7.127 4.088 3.660
173 HA LEU 28 HA LEU 28 -4.368 4.001 3.654
174 HB2 LEU 28 1HB LEU 28 -5.659 2.911 1.949
175 HB3 LEU 28 2HB LEU 28 -6.279 4.456 1.370
176 HG LEU 28 HG LEU 28 -3.999 5.054 0.627
177 HD11 LEU 28 1HD1 LEU 28 -3.030 3.307 2.340
178 HD12 LEU 28 2HD1 LEU 28 -2.175 3.696 0.848
179 HD13 LEU 28 3HD1 LEU 28 -3.142 2.225 0.952
180 HD21 LEU 28 3HD2 LEU 28 -4.073 2.700 -0.903
181 HD22 LEU 28 1HD2 LEU 28 -4.759 4.274 -1.306
182 HD23 LEU 28 2HD2 LEU 28 -5.745 3.069 -0.478
183 H ASN 29 H ASN 29 -6.393 6.569 2.224
184 HA ASN 29 HA ASN 29 -4.594 8.330 1.305
185 HB2 ASN 29 1HB ASN 29 -7.157 8.584 1.604
186 HB3 ASN 29 2HB ASN 29 -6.749 9.359 3.131
187 HD21 ASN 29 1HD2 ASN 29 -8.051 10.512 0.840
188 HD22 ASN 29 2HD2 ASN 29 -7.058 11.823 0.309
189 H GLN 30 H GLN 30 -5.538 8.142 4.735
190 HA GLN 30 HA GLN 30 -3.696 10.090 5.624
191 HB2 GLN 30 1HB GLN 30 -5.600 9.528 6.987
192 HB3 GLN 30 2HB GLN 30 -5.090 7.848 7.090
193 HG2 GLN 30 1HG GLN 30 -3.172 8.464 8.410
194 HG3 GLN 30 2HG GLN 30 -3.557 10.174 8.225
195 HE21 GLN 30 1HE2 GLN 30 -4.984 11.100 9.578
196 HE22 GLN 30 2HE2 GLN 30 -5.820 10.267 10.839
197 H HIS 31 H HIS 31 -3.474 6.625 5.149
198 HA HIS 31 HA HIS 31 -1.044 6.229 6.551
199 HB2 HIS 31 1HB HIS 31 -2.072 4.213 6.200
200 HB3 HIS 31 2HB HIS 31 -2.674 4.674 4.611
201 HD1 HIS 31 HD1 HIS 31 0.380 3.306 6.320
202 HD2 HIS 31 HD2 HIS 31 -1.046 3.982 2.476
203 HE1 HIS 31 HE1 HIS 31 1.986 2.122 4.790
204 H GLN 32 H GLN 32 -1.710 6.523 3.059
205 HA GLN 32 HA GLN 32 0.788 6.356 2.014
206 HB2 GLN 32 1HB GLN 32 -1.576 8.031 1.282
207 HB3 GLN 32 2HB GLN 32 -0.063 8.271 0.419
208 HG2 GLN 32 1HG GLN 32 -0.110 5.735 0.040
209 HG3 GLN 32 2HG GLN 32 -1.805 5.841 0.515
210 HE21 GLN 32 1HE2 GLN 32 -2.845 5.506 -1.344
211 HE22 GLN 32 2HE2 GLN 32 -2.638 6.443 -2.781
212 H ARG 33 H ARG 33 -0.505 8.972 3.921
213 HA ARG 33 HA ARG 33 1.143 11.076 3.362
214 HB2 ARG 33 1HB ARG 33 0.164 10.112 6.051
215 HB3 ARG 33 2HB ARG 33 0.953 11.664 5.806
216 HG2 ARG 33 1HG ARG 33 -0.818 12.415 4.384
217 HG3 ARG 33 2HG ARG 33 -1.564 10.815 4.394
218 HD2 ARG 33 1HD ARG 33 -2.799 12.151 5.913
219 HD3 ARG 33 2HD ARG 33 -1.807 11.064 6.885
220 HE ARG 33 HE ARG 33 -0.754 12.891 7.753
221 HH11 ARG 33 1HH1 ARG 33 -2.299 13.808 4.771
222 HH12 ARG 33 2HH1 ARG 33 -1.927 15.491 4.945
223 HH21 ARG 33 1HH2 ARG 33 -0.257 15.104 7.992
224 HH22 ARG 33 2HH2 ARG 33 -0.765 16.227 6.777
225 H ILE 34 H ILE 34 1.903 8.223 5.297
226 HA ILE 34 HA ILE 34 4.316 8.968 6.405
227 HB ILE 34 HB ILE 34 4.875 6.657 6.590
228 HG12 ILE 34 1HG1 ILE 34 2.782 6.114 4.473
229 HG13 ILE 34 2HG1 ILE 34 4.522 6.064 4.213
230 HG21 ILE 34 1HG2 ILE 34 2.152 7.568 7.061
231 HG22 ILE 34 2HG2 ILE 34 2.279 5.815 6.932
232 HG23 ILE 34 3HG2 ILE 34 3.250 6.684 8.120
233 HD11 ILE 34 3HD1 ILE 34 4.251 4.360 6.303
234 HD12 ILE 34 1HD1 ILE 34 2.739 4.095 5.435
235 HD13 ILE 34 2HD1 ILE 34 4.282 3.880 4.607
236 H HIS 35 H HIS 35 3.629 7.902 3.124
237 HA HIS 35 HA HIS 35 6.416 7.825 2.376
238 HB2 HIS 35 1HB HIS 35 3.999 7.761 0.563
239 HB3 HIS 35 2HB HIS 35 5.633 7.233 0.175
240 HD1 HIS 35 HD1 HIS 35 6.441 5.230 2.038
241 HD2 HIS 35 HD2 HIS 35 2.417 5.650 1.093
242 HE1 HIS 35 HE1 HIS 35 5.374 3.035 2.646
243 H THR 36 H THR 36 3.722 10.051 2.110
244 HA THR 36 HA THR 36 5.572 12.058 1.003
245 HB THR 36 HB THR 36 4.039 11.391 -0.772
246 HG1 THR 36 HG1 THR 36 3.742 13.428 -1.342
247 HG21 THR 36 3HG2 THR 36 1.738 12.410 0.865
248 HG22 THR 36 1HG2 THR 36 2.217 10.714 0.919
249 HG23 THR 36 2HG2 THR 36 1.705 11.438 -0.606
250 H GLY 37 H GLY 37 5.849 13.692 2.364
251 HA2 GLY 37 1HA GLY 37 3.758 14.224 4.367
252 HA3 GLY 37 2HA GLY 37 5.451 14.670 4.520
253 H GLU 38 H GLU 38 5.459 16.824 4.693
254 HA GLU 38 HA GLU 38 3.989 18.360 2.651
255 HB2 GLU 38 1HB GLU 38 4.481 18.943 5.561
256 HB3 GLU 38 2HB GLU 38 4.102 20.230 4.423
257 HG2 GLU 38 1HG GLU 38 2.096 18.613 3.827
258 HG3 GLU 38 2HG GLU 38 2.385 18.056 5.474
259 H LYS 39 H LYS 39 6.317 17.595 1.769
260 HA LYS 39 HA LYS 39 8.502 18.140 1.265
261 HB2 LYS 39 1HB LYS 39 6.765 20.513 0.780
262 HB3 LYS 39 2HB LYS 39 8.502 20.714 0.591
263 HG2 LYS 39 1HG LYS 39 8.490 18.800 -0.995
264 HG3 LYS 39 2HG LYS 39 6.728 18.778 -0.881
265 HD2 LYS 39 1HD LYS 39 8.299 21.214 -1.700
266 HD3 LYS 39 2HD LYS 39 7.683 20.029 -2.853
267 HE2 LYS 39 1HE LYS 39 5.838 21.259 -0.850
268 HE3 LYS 39 2HE LYS 39 6.288 22.161 -2.297
269 HZ1 LYS 39 3HZ LYS 39 4.399 21.062 -2.966
270 HZ2 LYS 39 1HZ LYS 39 4.745 19.666 -2.074
271 HZ3 LYS 39 2HZ LYS 39 5.600 19.994 -3.496
272 HA PRO 40 HA PRO 40 9.278 20.198 5.453
273 HB2 PRO 40 1HB PRO 40 10.339 18.028 6.692
274 HB3 PRO 40 2HB PRO 40 8.611 18.402 6.721
275 HG2 PRO 40 1HG PRO 40 10.101 16.463 4.994
276 HG3 PRO 40 2HG PRO 40 8.547 16.258 5.824
277 HD2 PRO 40 1HD PRO 40 8.724 16.831 3.183
278 HD3 PRO 40 2HD PRO 40 7.384 17.404 4.197
279 H SER 41 H SER 41 11.319 20.809 6.230
280 HA SER 41 HA SER 41 13.477 20.420 4.323
281 HB2 SER 41 1HB SER 41 13.376 22.167 6.794
282 HB3 SER 41 2HB SER 41 14.610 22.213 5.536
283 HG SER 41 HG SER 41 11.889 22.584 4.906
284 H GLY 42 H GLY 42 14.890 18.828 4.561
285 HA2 GLY 42 1HA GLY 42 16.593 18.335 6.591
286 HA3 GLY 42 2HA GLY 42 15.158 17.454 7.096
287 HA PRO 43 HA PRO 43 17.892 14.995 4.075
288 HB2 PRO 43 1HB PRO 43 18.986 13.266 5.860
289 HB3 PRO 43 2HB PRO 43 19.744 14.802 5.422
290 HG2 PRO 43 1HG PRO 43 18.089 14.122 7.822
291 HG3 PRO 43 2HG PRO 43 19.584 15.071 7.726
292 HD2 PRO 43 1HD PRO 43 17.139 16.220 7.913
293 HD3 PRO 43 2HD PRO 43 18.482 16.971 7.028
294 H SER 44 H SER 44 16.338 13.827 3.103
295 HA SER 44 HA SER 44 14.411 12.286 4.554
296 HB2 SER 44 1HB SER 44 13.583 11.619 2.352
297 HB3 SER 44 2HB SER 44 13.883 13.356 2.387
298 HG SER 44 HG SER 44 14.969 12.891 0.631
299 H SER 45 H SER 45 15.051 10.511 5.597
300 HA SER 45 HA SER 45 17.273 8.965 5.187
301 HB2 SER 45 1HB SER 45 15.692 8.798 7.128
302 HB3 SER 45 2HB SER 45 14.599 7.876 6.095
303 HG SER 45 HG SER 45 17.282 7.082 6.403
304 H GLY 46 H GLY 46 17.269 6.589 4.497
305 HA2 GLY 46 1HA GLY 46 17.045 6.351 1.779
306 HA3 GLY 46 2HA GLY 46 16.987 4.979 2.876
Start of MODEL 2
1 H1 GLY 1 H GLY 1 11.944 -12.781 1.950
2 HA2 GLY 1 1HA GLY 1 11.332 -11.193 -0.074
3 HA3 GLY 1 2HA GLY 1 11.604 -12.692 -0.949
4 H SER 2 H SER 2 9.711 -13.522 -1.519
5 HA SER 2 HA SER 2 7.769 -14.196 0.496
6 HB2 SER 2 1HB SER 2 6.981 -12.290 -1.721
7 HB3 SER 2 2HB SER 2 5.886 -13.013 -0.543
8 HG SER 2 HG SER 2 6.535 -11.629 0.914
9 H SER 3 H SER 3 5.910 -15.416 -0.468
10 HA SER 3 HA SER 3 6.924 -17.107 -2.627
11 HB2 SER 3 1HB SER 3 5.079 -18.652 -1.926
12 HB3 SER 3 2HB SER 3 6.241 -18.304 -0.645
13 HG SER 3 HG SER 3 4.125 -18.131 0.139
14 H GLY 4 H GLY 4 5.677 -17.643 -4.451
15 HA2 GLY 4 1HA GLY 4 3.866 -15.507 -5.269
16 HA3 GLY 4 2HA GLY 4 4.567 -16.735 -6.312
17 H SER 5 H SER 5 1.834 -15.775 -4.544
18 HA SER 5 HA SER 5 0.566 -18.394 -5.015
19 HB2 SER 5 1HB SER 5 0.793 -17.641 -2.598
20 HB3 SER 5 2HB SER 5 -0.346 -16.352 -2.984
21 HG SER 5 HG SER 5 -1.068 -18.941 -3.705
22 H SER 6 H SER 6 -1.756 -18.313 -5.507
23 HA SER 6 HA SER 6 -2.293 -16.185 -7.415
24 HB2 SER 6 1HB SER 6 -4.139 -17.596 -8.173
25 HB3 SER 6 2HB SER 6 -2.656 -18.545 -8.066
26 HG SER 6 HG SER 6 -3.435 -19.610 -6.367
27 H GLY 7 H GLY 7 -2.798 -14.412 -6.135
28 HA2 GLY 7 1HA GLY 7 -4.369 -12.993 -5.200
29 HA3 GLY 7 2HA GLY 7 -5.516 -14.325 -5.198
30 H SER 8 H SER 8 -2.875 -12.810 -3.448
31 HA SER 8 HA SER 8 -3.228 -14.533 -1.147
32 HB2 SER 8 1HB SER 8 -0.983 -13.672 -1.819
33 HB3 SER 8 2HB SER 8 -1.525 -12.044 -1.413
34 HG SER 8 HG SER 8 -1.314 -14.259 0.350
35 H SER 9 H SER 9 -3.384 -11.001 -1.639
36 HA SER 9 HA SER 9 -5.724 -10.896 0.108
37 HB2 SER 9 1HB SER 9 -3.906 -10.501 1.652
38 HB3 SER 9 2HB SER 9 -3.188 -9.309 0.568
39 HG SER 9 HG SER 9 -4.944 -8.880 2.472
40 H THR 10 H THR 10 -7.158 -9.310 -0.408
41 HA THR 10 HA THR 10 -6.361 -7.258 -2.339
42 HB THR 10 HB THR 10 -8.497 -7.677 -3.621
43 HG1 THR 10 HG1 THR 10 -9.495 -9.039 -2.048
44 HG21 THR 10 3HG2 THR 10 -7.559 -9.645 -4.866
45 HG22 THR 10 1HG2 THR 10 -6.325 -9.771 -3.613
46 HG23 THR 10 2HG2 THR 10 -6.419 -8.323 -4.615
47 H LYS 11 H LYS 11 -6.882 -5.390 -1.427
48 HA LYS 11 HA LYS 11 -9.374 -5.232 0.138
49 HB2 LYS 11 1HB LYS 11 -6.974 -4.795 1.173
50 HB3 LYS 11 2HB LYS 11 -7.205 -3.206 0.454
51 HG2 LYS 11 1HG LYS 11 -8.040 -2.856 2.551
52 HG3 LYS 11 2HG LYS 11 -9.510 -3.317 1.690
53 HD2 LYS 11 1HD LYS 11 -9.653 -4.640 3.571
54 HD3 LYS 11 2HD LYS 11 -8.843 -5.731 2.444
55 HE2 LYS 11 1HE LYS 11 -6.765 -5.430 3.468
56 HE3 LYS 11 2HE LYS 11 -7.275 -3.950 4.279
57 HZ1 LYS 11 3HZ LYS 11 -7.758 -6.738 5.022
58 HZ2 LYS 11 1HZ LYS 11 -8.959 -5.606 5.396
59 HZ3 LYS 11 2HZ LYS 11 -7.392 -5.408 6.000
60 H SER 12 H SER 12 -10.695 -3.403 -0.104
61 HA SER 12 HA SER 12 -11.328 -2.508 -2.550
62 HB2 SER 12 1HB SER 12 -11.560 -1.236 0.139
63 HB3 SER 12 2HB SER 12 -11.946 -0.255 -1.275
64 HG SER 12 HG SER 12 -13.129 -2.709 -0.492
65 H HIS 13 H HIS 13 -9.030 -0.833 -0.407
66 HA HIS 13 HA HIS 13 -7.882 0.447 -2.800
67 HB2 HIS 13 1HB HIS 13 -7.798 1.716 -0.074
68 HB3 HIS 13 2HB HIS 13 -7.557 2.470 -1.647
69 HD1 HIS 13 HD1 HIS 13 -9.607 3.345 -2.854
70 HD2 HIS 13 HD2 HIS 13 -10.526 1.221 0.596
71 HE1 HIS 13 HE1 HIS 13 -12.057 3.745 -2.451
72 H GLN 14 H GLN 14 -5.816 -0.015 -3.157
73 HA GLN 14 HA GLN 14 -4.204 -1.028 -0.909
74 HB2 GLN 14 1HB GLN 14 -4.842 -2.614 -2.852
75 HB3 GLN 14 2HB GLN 14 -3.660 -1.705 -3.785
76 HG2 GLN 14 1HG GLN 14 -2.350 -3.400 -3.031
77 HG3 GLN 14 2HG GLN 14 -2.114 -2.234 -1.730
78 HE21 GLN 14 1HE2 GLN 14 -1.471 -4.361 -0.715
79 HE22 GLN 14 2HE2 GLN 14 -2.712 -5.226 0.119
80 H CYS 15 H CYS 15 -2.161 -0.239 -0.616
81 HA CYS 15 HA CYS 15 -1.582 2.309 -1.797
82 HB2 CYS 15 1HB CYS 15 -1.086 1.676 0.593
83 HB3 CYS 15 2HB CYS 15 0.212 0.655 -0.015
84 H HIS 16 H HIS 16 0.604 2.803 -2.692
85 HA HIS 16 HA HIS 16 1.496 0.620 -4.460
86 HB2 HIS 16 1HB HIS 16 0.361 2.571 -5.577
87 HB3 HIS 16 2HB HIS 16 1.693 3.582 -5.026
88 HD1 HIS 16 HD1 HIS 16 1.414 0.294 -6.940
89 HD2 HIS 16 HD2 HIS 16 3.525 3.872 -6.977
90 HE1 HIS 16 HE1 HIS 16 2.954 0.145 -8.923
91 H GLU 17 H GLU 17 2.401 2.892 -2.065
92 HA GLU 17 HA GLU 17 5.202 2.957 -2.679
93 HB2 GLU 17 1HB GLU 17 3.964 3.610 -0.011
94 HB3 GLU 17 2HB GLU 17 5.458 4.234 -0.698
95 HG2 GLU 17 1HG GLU 17 2.709 4.799 -1.784
96 HG3 GLU 17 2HG GLU 17 3.606 5.865 -0.703
97 H CYS 18 H CYS 18 3.148 1.184 -0.412
98 HA CYS 18 HA CYS 18 5.433 -0.591 0.148
99 HB2 CYS 18 1HB CYS 18 4.410 -1.029 2.358
100 HB3 CYS 18 2HB CYS 18 4.852 0.662 2.150
101 H GLY 19 H GLY 19 1.957 -0.343 -0.380
102 HA2 GLY 19 1HA GLY 19 0.801 -1.940 -1.733
103 HA3 GLY 19 2HA GLY 19 1.973 -3.154 -1.242
104 H ARG 20 H ARG 20 0.407 -0.951 0.991
105 HA ARG 20 HA ARG 20 -0.557 -3.170 2.549
106 HB2 ARG 20 1HB ARG 20 -0.410 -0.218 2.878
107 HB3 ARG 20 2HB ARG 20 -1.630 -1.074 3.812
108 HG2 ARG 20 1HG ARG 20 0.437 -2.625 4.391
109 HG3 ARG 20 2HG ARG 20 1.324 -1.144 4.025
110 HD2 ARG 20 1HD ARG 20 0.934 -0.912 6.286
111 HD3 ARG 20 2HD ARG 20 -0.428 -0.031 5.595
112 HE ARG 20 HE ARG 20 -1.435 -2.505 5.897
113 HH11 ARG 20 1HH1 ARG 20 0.304 -0.399 8.056
114 HH12 ARG 20 2HH1 ARG 20 -0.465 -1.011 9.483
115 HH21 ARG 20 1HH2 ARG 20 -2.454 -3.320 7.768
116 HH22 ARG 20 2HH2 ARG 20 -2.033 -2.673 9.318
117 H GLY 21 H GLY 21 -2.887 -2.868 3.500
118 HA2 GLY 21 1HA GLY 21 -4.736 -2.225 1.292
119 HA3 GLY 21 2HA GLY 21 -4.869 -3.744 2.166
120 H PHE 22 H PHE 22 -6.415 -1.002 1.848
121 HA PHE 22 HA PHE 22 -7.233 -0.934 4.671
122 HB2 PHE 22 1HB PHE 22 -7.039 1.516 2.912
123 HB3 PHE 22 2HB PHE 22 -7.433 1.466 4.627
124 HD1 PHE 22 HD2 PHE 22 -4.734 0.953 2.164
125 HD2 PHE 22 HD1 PHE 22 -5.743 1.433 6.271
126 HE1 PHE 22 HE2 PHE 22 -2.352 1.232 2.714
127 HE2 PHE 22 HE1 PHE 22 -3.363 1.713 6.827
128 HZ PHE 22 HZ PHE 22 -1.663 1.611 5.048
129 H THR 23 H THR 23 -9.354 -1.157 4.975
130 HA THR 23 HA THR 23 -11.107 -1.728 2.855
131 HB THR 23 HB THR 23 -12.918 -1.570 4.585
132 HG1 THR 23 HG1 THR 23 -10.787 -0.451 6.003
133 HG21 THR 23 3HG2 THR 23 -11.761 -3.345 6.123
134 HG22 THR 23 1HG2 THR 23 -10.459 -3.232 4.940
135 HG23 THR 23 2HG2 THR 23 -12.076 -3.715 4.428
136 H LEU 24 H LEU 24 -10.858 1.150 4.935
137 HA LEU 24 HA LEU 24 -12.766 2.564 3.247
138 HB2 LEU 24 1HB LEU 24 -11.422 3.188 5.856
139 HB3 LEU 24 2HB LEU 24 -12.295 4.423 4.951
140 HG LEU 24 HG LEU 24 -13.526 1.856 5.947
141 HD11 LEU 24 1HD1 LEU 24 -12.703 3.518 7.708
142 HD12 LEU 24 2HD1 LEU 24 -14.391 3.012 7.783
143 HD13 LEU 24 3HD1 LEU 24 -13.972 4.586 7.106
144 HD21 LEU 24 3HD2 LEU 24 -14.409 3.988 4.187
145 HD22 LEU 24 1HD2 LEU 24 -15.482 3.769 5.569
146 HD23 LEU 24 2HD2 LEU 24 -15.130 2.409 4.503
147 H LYS 25 H LYS 25 -12.241 4.068 1.780
148 HA LYS 25 HA LYS 25 -9.726 4.292 0.680
149 HB2 LYS 25 1HB LYS 25 -12.074 5.138 -0.136
150 HB3 LYS 25 2HB LYS 25 -11.572 6.649 0.611
151 HG2 LYS 25 1HG LYS 25 -9.885 5.218 -1.419
152 HG3 LYS 25 2HG LYS 25 -11.123 6.395 -1.865
153 HD2 LYS 25 1HD LYS 25 -9.979 8.041 -0.367
154 HD3 LYS 25 2HD LYS 25 -8.680 6.865 -0.161
155 HE2 LYS 25 1HE LYS 25 -8.006 7.036 -2.379
156 HE3 LYS 25 2HE LYS 25 -9.553 7.704 -2.899
157 HZ1 LYS 25 3HZ LYS 25 -8.827 9.755 -2.534
158 HZ2 LYS 25 1HZ LYS 25 -7.277 9.115 -2.308
159 HZ3 LYS 25 2HZ LYS 25 -8.286 9.379 -0.976
160 H SER 26 H SER 26 -11.257 6.469 3.037
161 HA SER 26 HA SER 26 -9.323 8.407 3.253
162 HB2 SER 26 1HB SER 26 -10.088 8.651 5.643
163 HB3 SER 26 2HB SER 26 -11.390 8.644 4.454
164 HG SER 26 HG SER 26 -11.673 7.274 6.377
165 H HIS 27 H HIS 27 -9.501 5.393 5.145
166 HA HIS 27 HA HIS 27 -7.341 5.578 6.755
167 HB2 HIS 27 1HB HIS 27 -8.299 3.208 5.156
168 HB3 HIS 27 2HB HIS 27 -7.008 3.079 6.346
169 HD1 HIS 27 HD1 HIS 27 -9.779 1.620 6.589
170 HD2 HIS 27 HD2 HIS 27 -8.751 5.181 8.467
171 HE1 HIS 27 HE1 HIS 27 -11.299 1.791 8.585
172 H LEU 28 H LEU 28 -7.090 4.107 3.512
173 HA LEU 28 HA LEU 28 -4.324 3.989 3.395
174 HB2 LEU 28 1HB LEU 28 -5.642 2.822 1.790
175 HB3 LEU 28 2HB LEU 28 -6.368 4.319 1.212
176 HG LEU 28 HG LEU 28 -4.090 4.981 0.376
177 HD11 LEU 28 1HD1 LEU 28 -3.264 2.145 0.407
178 HD12 LEU 28 2HD1 LEU 28 -3.121 3.030 1.925
179 HD13 LEU 28 3HD1 LEU 28 -2.293 3.615 0.483
180 HD21 LEU 28 3HD2 LEU 28 -4.775 2.442 -0.984
181 HD22 LEU 28 1HD2 LEU 28 -4.531 4.057 -1.648
182 HD23 LEU 28 2HD2 LEU 28 -6.051 3.653 -0.849
183 H ASN 29 H ASN 29 -6.489 6.602 2.366
184 HA ASN 29 HA ASN 29 -4.638 8.299 1.198
185 HB2 ASN 29 1HB ASN 29 -7.074 8.678 1.151
186 HB3 ASN 29 2HB ASN 29 -7.040 9.082 2.866
187 HD21 ASN 29 1HD2 ASN 29 -7.354 11.173 3.072
188 HD22 ASN 29 2HD2 ASN 29 -6.589 12.413 2.144
189 H GLN 30 H GLN 30 -5.647 8.169 4.608
190 HA GLN 30 HA GLN 30 -3.772 10.166 5.426
191 HB2 GLN 30 1HB GLN 30 -5.234 8.150 7.137
192 HB3 GLN 30 2HB GLN 30 -4.476 9.639 7.687
193 HG2 GLN 30 1HG GLN 30 -6.078 10.929 6.344
194 HG3 GLN 30 2HG GLN 30 -6.858 9.424 5.860
195 HE21 GLN 30 1HE2 GLN 30 -7.776 8.099 7.571
196 HE22 GLN 30 2HE2 GLN 30 -8.427 8.871 8.972
197 H HIS 31 H HIS 31 -3.395 6.994 4.517
198 HA HIS 31 HA HIS 31 -1.240 6.392 6.381
199 HB2 HIS 31 1HB HIS 31 -2.380 4.431 5.999
200 HB3 HIS 31 2HB HIS 31 -2.770 4.856 4.335
201 HD1 HIS 31 HD1 HIS 31 0.053 3.492 6.428
202 HD2 HIS 31 HD2 HIS 31 -1.021 3.898 2.435
203 HE1 HIS 31 HE1 HIS 31 1.735 2.137 5.139
204 H GLN 32 H GLN 32 -1.727 7.270 3.019
205 HA GLN 32 HA GLN 32 0.871 6.755 2.080
206 HB2 GLN 32 1HB GLN 32 -1.404 8.462 1.178
207 HB3 GLN 32 2HB GLN 32 0.174 8.722 0.447
208 HG2 GLN 32 1HG GLN 32 0.254 6.396 -0.252
209 HG3 GLN 32 2HG GLN 32 -1.305 6.102 0.516
210 HE21 GLN 32 1HE2 GLN 32 -0.341 5.940 -2.313
211 HE22 GLN 32 2HE2 GLN 32 -1.476 6.879 -3.216
212 H ARG 33 H ARG 33 -0.198 9.003 4.331
213 HA ARG 33 HA ARG 33 1.461 11.215 3.767
214 HB2 ARG 33 1HB ARG 33 0.583 10.357 6.521
215 HB3 ARG 33 2HB ARG 33 0.938 11.985 5.958
216 HG2 ARG 33 1HG ARG 33 -1.469 10.293 5.445
217 HG3 ARG 33 2HG ARG 33 -1.370 11.952 6.039
218 HD2 ARG 33 1HD ARG 33 -0.593 11.109 3.252
219 HD3 ARG 33 2HD ARG 33 -2.187 11.727 3.684
220 HE ARG 33 HE ARG 33 0.260 13.241 3.424
221 HH11 ARG 33 1HH1 ARG 33 -2.980 13.151 4.694
222 HH12 ARG 33 2HH1 ARG 33 -3.126 14.874 4.801
223 HH21 ARG 33 1HH2 ARG 33 0.081 15.511 3.560
224 HH22 ARG 33 2HH2 ARG 33 -1.384 16.215 4.155
225 H ILE 34 H ILE 34 2.182 8.093 4.877
226 HA ILE 34 HA ILE 34 4.560 8.817 6.352
227 HB ILE 34 HB ILE 34 4.869 6.533 6.786
228 HG12 ILE 34 1HG1 ILE 34 3.082 6.008 4.404
229 HG13 ILE 34 2HG1 ILE 34 4.802 5.656 4.537
230 HG21 ILE 34 1HG2 ILE 34 2.159 5.878 6.840
231 HG22 ILE 34 2HG2 ILE 34 3.100 6.632 8.126
232 HG23 ILE 34 3HG2 ILE 34 2.214 7.635 6.978
233 HD11 ILE 34 3HD1 ILE 34 3.936 3.588 4.903
234 HD12 ILE 34 1HD1 ILE 34 3.994 4.184 6.562
235 HD13 ILE 34 2HD1 ILE 34 2.474 4.210 5.667
236 H HIS 35 H HIS 35 3.718 7.902 3.106
237 HA HIS 35 HA HIS 35 6.509 7.484 2.366
238 HB2 HIS 35 1HB HIS 35 4.106 7.399 0.541
239 HB3 HIS 35 2HB HIS 35 5.697 6.695 0.264
240 HD1 HIS 35 HD1 HIS 35 6.302 4.778 2.225
241 HD2 HIS 35 HD2 HIS 35 2.314 5.563 1.366
242 HE1 HIS 35 HE1 HIS 35 5.028 2.776 3.058
243 H THR 36 H THR 36 3.919 9.804 1.981
244 HA THR 36 HA THR 36 5.172 11.370 -0.036
245 HB THR 36 HB THR 36 2.678 11.351 0.729
246 HG1 THR 36 HG1 THR 36 4.268 13.415 -0.263
247 HG21 THR 36 3HG2 THR 36 2.085 13.137 2.264
248 HG22 THR 36 1HG2 THR 36 3.786 13.540 2.491
249 HG23 THR 36 2HG2 THR 36 3.163 11.994 3.066
250 H GLY 37 H GLY 37 6.583 13.030 0.105
251 HA2 GLY 37 1HA GLY 37 7.027 14.806 2.127
252 HA3 GLY 37 2HA GLY 37 7.986 13.407 2.587
253 H GLU 38 H GLU 38 9.604 15.294 2.357
254 HA GLU 38 HA GLU 38 10.374 16.069 -0.276
255 HB2 GLU 38 1HB GLU 38 11.889 16.203 2.337
256 HB3 GLU 38 2HB GLU 38 12.403 16.965 0.839
257 HG2 GLU 38 1HG GLU 38 9.993 18.043 0.989
258 HG3 GLU 38 2HG GLU 38 10.228 17.717 2.705
259 H LYS 39 H LYS 39 11.337 14.827 -1.724
260 HA LYS 39 HA LYS 39 13.512 13.073 -0.934
261 HB2 LYS 39 1HB LYS 39 11.149 11.873 -0.948
262 HB3 LYS 39 2HB LYS 39 11.436 11.830 -2.683
263 HG2 LYS 39 1HG LYS 39 13.379 10.515 -2.428
264 HG3 LYS 39 2HG LYS 39 13.428 10.796 -0.686
265 HD2 LYS 39 1HD LYS 39 12.595 8.577 -1.083
266 HD3 LYS 39 2HD LYS 39 11.267 9.577 -0.490
267 HE2 LYS 39 1HE LYS 39 10.367 8.338 -2.276
268 HE3 LYS 39 2HE LYS 39 10.658 9.950 -2.926
269 HZ1 LYS 39 3HZ LYS 39 12.840 9.030 -3.748
270 HZ2 LYS 39 1HZ LYS 39 11.454 8.453 -4.527
271 HZ3 LYS 39 2HZ LYS 39 12.242 7.491 -3.381
272 HA PRO 40 HA PRO 40 15.115 14.576 -4.753
273 HB2 PRO 40 1HB PRO 40 17.105 12.762 -5.101
274 HB3 PRO 40 2HB PRO 40 17.188 14.062 -3.907
275 HG2 PRO 40 1HG PRO 40 16.463 11.183 -3.525
276 HG3 PRO 40 2HG PRO 40 17.495 12.219 -2.522
277 HD2 PRO 40 1HD PRO 40 14.925 11.662 -1.878
278 HD3 PRO 40 2HD PRO 40 15.697 13.209 -1.473
279 H SER 41 H SER 41 15.140 14.109 -6.961
280 HA SER 41 HA SER 41 14.297 13.201 -8.874
281 HB2 SER 41 1HB SER 41 16.184 11.643 -8.418
282 HB3 SER 41 2HB SER 41 15.068 10.589 -7.551
283 HG SER 41 HG SER 41 14.353 11.343 -10.133
284 H GLY 42 H GLY 42 12.345 13.788 -6.974
285 HA2 GLY 42 1HA GLY 42 10.551 11.551 -6.688
286 HA3 GLY 42 2HA GLY 42 10.220 13.219 -6.245
287 HA PRO 43 HA PRO 43 7.820 13.912 -9.845
288 HB2 PRO 43 1HB PRO 43 8.794 16.198 -10.940
289 HB3 PRO 43 2HB PRO 43 7.878 16.171 -9.428
290 HG2 PRO 43 1HG PRO 43 10.839 16.305 -9.847
291 HG3 PRO 43 2HG PRO 43 9.829 17.207 -8.702
292 HD2 PRO 43 1HD PRO 43 11.285 15.044 -7.970
293 HD3 PRO 43 2HD PRO 43 9.733 15.452 -7.211
294 H SER 44 H SER 44 7.724 13.909 -12.169
295 HA SER 44 HA SER 44 10.197 13.492 -13.635
296 HB2 SER 44 1HB SER 44 9.685 11.242 -12.802
297 HB3 SER 44 2HB SER 44 8.062 11.349 -13.484
298 HG SER 44 HG SER 44 8.874 11.191 -15.490
299 H SER 45 H SER 45 10.047 14.083 -15.739
300 HA SER 45 HA SER 45 8.181 15.810 -16.666
301 HB2 SER 45 1HB SER 45 10.222 15.442 -17.897
302 HB3 SER 45 2HB SER 45 9.756 13.783 -18.268
303 HG SER 45 HG SER 45 8.544 14.480 -19.845
304 H GLY 46 H GLY 46 8.145 12.303 -17.321
305 HA2 GLY 46 1HA GLY 46 6.452 11.018 -18.272
306 HA3 GLY 46 2HA GLY 46 5.596 11.645 -16.872
Start of MODEL 3
1 H1 GLY 1 H GLY 1 9.856 -15.433 2.290
2 HA2 GLY 1 1HA GLY 1 8.533 -16.827 3.751
3 HA3 GLY 1 2HA GLY 1 10.027 -17.494 4.390
4 H SER 2 H SER 2 7.815 -14.802 4.465
5 HA SER 2 HA SER 2 9.090 -13.906 6.961
6 HB2 SER 2 1HB SER 2 8.016 -12.179 4.723
7 HB3 SER 2 2HB SER 2 8.404 -11.564 6.329
8 HG SER 2 HG SER 2 10.550 -12.225 5.999
9 H SER 3 H SER 3 7.623 -12.716 8.402
10 HA SER 3 HA SER 3 5.134 -14.091 8.658
11 HB2 SER 3 1HB SER 3 6.172 -11.701 10.201
12 HB3 SER 3 2HB SER 3 4.824 -12.734 10.675
13 HG SER 3 HG SER 3 6.347 -14.484 10.732
14 H GLY 4 H GLY 4 3.035 -13.018 8.891
15 HA2 GLY 4 1HA GLY 4 2.771 -10.477 7.459
16 HA3 GLY 4 2HA GLY 4 1.939 -11.877 6.798
17 H SER 5 H SER 5 -0.044 -10.725 7.091
18 HA SER 5 HA SER 5 -1.132 -11.107 9.769
19 HB2 SER 5 1HB SER 5 -0.321 -8.726 9.603
20 HB3 SER 5 2HB SER 5 -1.499 -8.481 8.314
21 HG SER 5 HG SER 5 -2.305 -7.862 10.374
22 H SER 6 H SER 6 -2.709 -12.509 9.334
23 HA SER 6 HA SER 6 -4.330 -12.150 6.920
24 HB2 SER 6 1HB SER 6 -4.275 -14.481 8.851
25 HB3 SER 6 2HB SER 6 -5.102 -14.430 7.294
26 HG SER 6 HG SER 6 -2.997 -14.116 6.343
27 H GLY 7 H GLY 7 -5.669 -10.456 7.545
28 HA2 GLY 7 1HA GLY 7 -7.733 -11.223 9.497
29 HA3 GLY 7 2HA GLY 7 -6.962 -9.650 9.633
30 H SER 8 H SER 8 -6.791 -8.953 6.940
31 HA SER 8 HA SER 8 -9.624 -8.463 6.369
32 HB2 SER 8 1HB SER 8 -7.108 -7.045 5.474
33 HB3 SER 8 2HB SER 8 -8.713 -6.658 4.855
34 HG SER 8 HG SER 8 -8.354 -6.737 7.624
35 H SER 9 H SER 9 -10.203 -10.333 5.293
36 HA SER 9 HA SER 9 -8.691 -11.516 3.218
37 HB2 SER 9 1HB SER 9 -11.674 -11.713 3.696
38 HB3 SER 9 2HB SER 9 -10.689 -12.831 2.752
39 HG SER 9 HG SER 9 -10.798 -12.458 5.532
40 H THR 10 H THR 10 -11.754 -9.698 2.998
41 HA THR 10 HA THR 10 -11.204 -9.148 0.185
42 HB THR 10 HB THR 10 -13.494 -8.242 0.111
43 HG1 THR 10 HG1 THR 10 -14.441 -7.716 1.921
44 HG21 THR 10 3HG2 THR 10 -14.576 -10.505 1.066
45 HG22 THR 10 1HG2 THR 10 -12.883 -10.994 1.013
46 HG23 THR 10 2HG2 THR 10 -13.686 -10.433 -0.454
47 H LYS 11 H LYS 11 -9.547 -7.620 0.331
48 HA LYS 11 HA LYS 11 -9.835 -5.239 1.908
49 HB2 LYS 11 1HB LYS 11 -7.690 -4.717 1.258
50 HB3 LYS 11 2HB LYS 11 -7.668 -6.463 1.050
51 HG2 LYS 11 1HG LYS 11 -8.457 -5.808 -1.393
52 HG3 LYS 11 2HG LYS 11 -7.625 -4.306 -0.981
53 HD2 LYS 11 1HD LYS 11 -6.336 -6.990 -0.580
54 HD3 LYS 11 2HD LYS 11 -6.263 -6.147 -2.129
55 HE2 LYS 11 1HE LYS 11 -4.347 -5.352 -1.184
56 HE3 LYS 11 2HE LYS 11 -5.483 -4.144 -0.586
57 HZ1 LYS 11 3HZ LYS 11 -3.965 -5.051 1.130
58 HZ2 LYS 11 1HZ LYS 11 -4.693 -6.566 0.936
59 HZ3 LYS 11 2HZ LYS 11 -5.602 -5.257 1.502
60 H SER 12 H SER 12 -9.497 -3.058 0.766
61 HA SER 12 HA SER 12 -11.286 -2.924 -1.574
62 HB2 SER 12 1HB SER 12 -12.124 -2.004 0.702
63 HB3 SER 12 2HB SER 12 -11.003 -0.675 0.405
64 HG SER 12 HG SER 12 -12.163 -0.668 -1.769
65 H HIS 13 H HIS 13 -9.047 -0.731 0.130
66 HA HIS 13 HA HIS 13 -7.935 0.021 -2.487
67 HB2 HIS 13 1HB HIS 13 -7.604 1.556 0.088
68 HB3 HIS 13 2HB HIS 13 -7.340 2.127 -1.557
69 HD1 HIS 13 HD1 HIS 13 -9.319 3.103 -2.779
70 HD2 HIS 13 HD2 HIS 13 -10.370 1.287 0.807
71 HE1 HIS 13 HE1 HIS 13 -11.726 3.721 -2.392
72 H GLN 14 H GLN 14 -5.715 0.075 -2.818
73 HA GLN 14 HA GLN 14 -4.061 -1.142 -0.711
74 HB2 GLN 14 1HB GLN 14 -4.492 -2.878 -2.317
75 HB3 GLN 14 2HB GLN 14 -4.091 -1.810 -3.655
76 HG2 GLN 14 1HG GLN 14 -1.765 -1.675 -2.665
77 HG3 GLN 14 2HG GLN 14 -2.242 -3.015 -1.623
78 HE21 GLN 14 1HE2 GLN 14 -0.925 -4.556 -2.440
79 HE22 GLN 14 2HE2 GLN 14 -1.023 -5.157 -4.057
80 H CYS 15 H CYS 15 -2.067 -0.278 -0.409
81 HA CYS 15 HA CYS 15 -1.541 2.284 -1.580
82 HB2 CYS 15 1HB CYS 15 -1.013 1.705 0.792
83 HB3 CYS 15 2HB CYS 15 0.250 0.627 0.207
84 H HIS 16 H HIS 16 0.355 2.885 -2.747
85 HA HIS 16 HA HIS 16 1.374 0.708 -4.439
86 HB2 HIS 16 1HB HIS 16 0.155 2.571 -5.565
87 HB3 HIS 16 2HB HIS 16 1.397 3.682 -4.994
88 HD1 HIS 16 HD1 HIS 16 2.006 4.243 -7.465
89 HD2 HIS 16 HD2 HIS 16 2.606 0.273 -6.396
90 HE1 HIS 16 HE1 HIS 16 3.416 3.258 -9.300
91 H GLU 17 H GLU 17 2.271 3.030 -2.084
92 HA GLU 17 HA GLU 17 5.039 3.221 -2.771
93 HB2 GLU 17 1HB GLU 17 3.846 3.732 -0.050
94 HB3 GLU 17 2HB GLU 17 5.305 4.429 -0.739
95 HG2 GLU 17 1HG GLU 17 2.625 4.914 -1.978
96 HG3 GLU 17 2HG GLU 17 3.193 5.875 -0.613
97 H CYS 18 H CYS 18 3.187 1.339 -0.403
98 HA CYS 18 HA CYS 18 5.576 -0.336 0.016
99 HB2 CYS 18 1HB CYS 18 4.603 -0.925 2.214
100 HB3 CYS 18 2HB CYS 18 4.927 0.799 2.065
101 H GLY 19 H GLY 19 2.076 -0.321 -0.443
102 HA2 GLY 19 1HA GLY 19 1.117 -1.978 -1.937
103 HA3 GLY 19 2HA GLY 19 2.278 -3.136 -1.305
104 H ARG 20 H ARG 20 0.888 -1.082 1.036
105 HA ARG 20 HA ARG 20 -0.344 -3.267 2.381
106 HB2 ARG 20 1HB ARG 20 -0.051 -0.344 2.863
107 HB3 ARG 20 2HB ARG 20 -1.329 -1.186 3.728
108 HG2 ARG 20 1HG ARG 20 0.618 -2.863 4.295
109 HG3 ARG 20 2HG ARG 20 1.619 -1.447 3.970
110 HD2 ARG 20 1HD ARG 20 0.469 -0.176 5.648
111 HD3 ARG 20 2HD ARG 20 -0.713 -1.464 5.878
112 HE ARG 20 HE ARG 20 0.752 -2.467 7.304
113 HH11 ARG 20 1HH1 ARG 20 2.530 -0.303 5.235
114 HH12 ARG 20 2HH1 ARG 20 4.037 -0.551 6.053
115 HH21 ARG 20 1HH2 ARG 20 2.731 -2.801 8.389
116 HH22 ARG 20 2HH2 ARG 20 4.151 -1.972 7.846
117 H GLY 21 H GLY 21 -2.694 -2.626 3.353
118 HA2 GLY 21 1HA GLY 21 -4.445 -1.742 1.180
119 HA3 GLY 21 2HA GLY 21 -4.652 -3.385 1.769
120 H PHE 22 H PHE 22 -6.430 -0.980 1.825
121 HA PHE 22 HA PHE 22 -7.122 -1.176 4.663
122 HB2 PHE 22 1HB PHE 22 -7.005 1.444 3.154
123 HB3 PHE 22 2HB PHE 22 -7.539 1.229 4.818
124 HD1 PHE 22 HD2 PHE 22 -4.609 0.943 2.577
125 HD2 PHE 22 HD1 PHE 22 -6.005 1.222 6.588
126 HE1 PHE 22 HE2 PHE 22 -2.298 1.270 3.355
127 HE2 PHE 22 HE1 PHE 22 -3.697 1.551 7.373
128 HZ PHE 22 HZ PHE 22 -1.839 1.574 5.756
129 H THR 23 H THR 23 -9.348 -0.519 5.116
130 HA THR 23 HA THR 23 -11.118 -1.440 3.027
131 HB THR 23 HB THR 23 -12.147 -0.350 5.613
132 HG1 THR 23 HG1 THR 23 -10.402 -1.604 6.290
133 HG21 THR 23 3HG2 THR 23 -12.873 -2.915 4.225
134 HG22 THR 23 1HG2 THR 23 -13.545 -1.367 3.714
135 HG23 THR 23 2HG2 THR 23 -13.836 -1.958 5.350
136 H LEU 24 H LEU 24 -11.146 1.443 5.135
137 HA LEU 24 HA LEU 24 -12.922 2.849 3.380
138 HB2 LEU 24 1HB LEU 24 -11.371 3.640 5.828
139 HB3 LEU 24 2HB LEU 24 -12.345 4.793 4.918
140 HG LEU 24 HG LEU 24 -13.286 3.569 7.054
141 HD11 LEU 24 1HD1 LEU 24 -15.461 4.068 6.312
142 HD12 LEU 24 2HD1 LEU 24 -15.040 3.781 4.624
143 HD13 LEU 24 3HD1 LEU 24 -14.406 5.197 5.463
144 HD21 LEU 24 3HD2 LEU 24 -14.709 1.633 6.284
145 HD22 LEU 24 1HD2 LEU 24 -12.979 1.311 6.412
146 HD23 LEU 24 2HD2 LEU 24 -13.710 1.586 4.830
147 H LYS 25 H LYS 25 -12.485 4.534 2.001
148 HA LYS 25 HA LYS 25 -10.031 4.531 0.646
149 HB2 LYS 25 1HB LYS 25 -12.013 5.258 -0.492
150 HB3 LYS 25 2HB LYS 25 -12.284 6.540 0.681
151 HG2 LYS 25 1HG LYS 25 -11.432 7.580 -1.251
152 HG3 LYS 25 2HG LYS 25 -10.103 7.545 -0.089
153 HD2 LYS 25 1HD LYS 25 -9.504 5.298 -1.277
154 HD3 LYS 25 2HD LYS 25 -10.483 5.954 -2.591
155 HE2 LYS 25 1HE LYS 25 -8.448 6.783 -3.197
156 HE3 LYS 25 2HE LYS 25 -8.987 8.092 -2.146
157 HZ1 LYS 25 3HZ LYS 25 -7.745 7.047 -0.324
158 HZ2 LYS 25 1HZ LYS 25 -6.738 7.483 -1.612
159 HZ3 LYS 25 2HZ LYS 25 -7.174 5.865 -1.391
160 H SER 26 H SER 26 -11.300 6.650 3.169
161 HA SER 26 HA SER 26 -9.252 8.576 3.103
162 HB2 SER 26 1HB SER 26 -11.138 7.693 5.288
163 HB3 SER 26 2HB SER 26 -9.981 9.005 5.513
164 HG SER 26 HG SER 26 -11.801 8.965 3.350
165 H HIS 27 H HIS 27 -9.596 5.570 4.939
166 HA HIS 27 HA HIS 27 -7.474 5.728 6.665
167 HB2 HIS 27 1HB HIS 27 -8.453 3.329 5.107
168 HB3 HIS 27 2HB HIS 27 -7.317 3.231 6.449
169 HD1 HIS 27 HD1 HIS 27 -9.585 1.652 7.117
170 HD2 HIS 27 HD2 HIS 27 -9.777 5.781 7.541
171 HE1 HIS 27 HE1 HIS 27 -11.464 2.075 8.733
172 H LEU 28 H LEU 28 -7.261 4.100 3.495
173 HA LEU 28 HA LEU 28 -4.512 3.819 3.419
174 HB2 LEU 28 1HB LEU 28 -5.664 2.643 1.793
175 HB3 LEU 28 2HB LEU 28 -6.613 4.047 1.308
176 HG LEU 28 HG LEU 28 -4.486 4.991 0.322
177 HD11 LEU 28 1HD1 LEU 28 -2.968 3.500 1.612
178 HD12 LEU 28 2HD1 LEU 28 -2.660 3.510 -0.124
179 HD13 LEU 28 3HD1 LEU 28 -3.514 2.154 0.611
180 HD21 LEU 28 3HD2 LEU 28 -5.272 2.381 -0.936
181 HD22 LEU 28 1HD2 LEU 28 -4.807 3.890 -1.720
182 HD23 LEU 28 2HD2 LEU 28 -6.365 3.766 -0.901
183 H ASN 29 H ASN 29 -6.473 6.480 2.100
184 HA ASN 29 HA ASN 29 -4.489 8.019 0.975
185 HB2 ASN 29 1HB ASN 29 -6.952 8.481 0.893
186 HB3 ASN 29 2HB ASN 29 -6.838 9.114 2.533
187 HD21 ASN 29 1HD2 ASN 29 -7.821 10.794 0.788
188 HD22 ASN 29 2HD2 ASN 29 -6.675 12.002 0.324
189 H GLN 30 H GLN 30 -5.616 8.096 4.347
190 HA GLN 30 HA GLN 30 -3.784 10.080 5.194
191 HB2 GLN 30 1HB GLN 30 -5.540 8.094 6.579
192 HB3 GLN 30 2HB GLN 30 -4.319 8.953 7.509
193 HG2 GLN 30 1HG GLN 30 -6.220 10.463 5.772
194 HG3 GLN 30 2HG GLN 30 -6.723 9.894 7.363
195 HE21 GLN 30 1HE2 GLN 30 -5.774 10.769 9.200
196 HE22 GLN 30 2HE2 GLN 30 -4.869 12.240 9.157
197 H HIS 31 H HIS 31 -3.604 6.601 4.920
198 HA HIS 31 HA HIS 31 -1.269 6.254 6.503
199 HB2 HIS 31 1HB HIS 31 -2.362 4.250 6.244
200 HB3 HIS 31 2HB HIS 31 -2.814 4.588 4.576
201 HD1 HIS 31 HD1 HIS 31 -0.022 3.209 6.654
202 HD2 HIS 31 HD2 HIS 31 -0.974 3.761 2.648
203 HE1 HIS 31 HE1 HIS 31 1.682 1.880 5.369
204 H GLN 32 H GLN 32 -1.845 6.907 3.097
205 HA GLN 32 HA GLN 32 0.725 6.408 2.113
206 HB2 GLN 32 1HB GLN 32 -1.432 8.311 1.208
207 HB3 GLN 32 2HB GLN 32 0.073 8.095 0.324
208 HG2 GLN 32 1HG GLN 32 -0.517 5.608 0.295
209 HG3 GLN 32 2HG GLN 32 -2.134 6.122 0.776
210 HE21 GLN 32 1HE2 GLN 32 -2.933 5.275 -1.187
211 HE22 GLN 32 2HE2 GLN 32 -2.746 6.139 -2.672
212 H ARG 33 H ARG 33 -0.282 8.727 4.321
213 HA ARG 33 HA ARG 33 1.400 10.898 3.625
214 HB2 ARG 33 1HB ARG 33 0.148 10.081 6.248
215 HB3 ARG 33 2HB ARG 33 1.057 11.571 6.033
216 HG2 ARG 33 1HG ARG 33 -0.546 12.274 4.305
217 HG3 ARG 33 2HG ARG 33 -1.475 10.802 4.597
218 HD2 ARG 33 1HD ARG 33 -2.581 12.387 5.885
219 HD3 ARG 33 2HD ARG 33 -1.526 11.590 7.051
220 HE ARG 33 HE ARG 33 -0.353 13.922 5.858
221 HH11 ARG 33 1HH1 ARG 33 -2.430 12.752 8.396
222 HH12 ARG 33 2HH1 ARG 33 -2.157 14.117 9.427
223 HH21 ARG 33 1HH2 ARG 33 0.014 15.725 7.207
224 HH22 ARG 33 2HH2 ARG 33 -0.768 15.808 8.749
225 H ILE 34 H ILE 34 2.013 7.845 5.030
226 HA ILE 34 HA ILE 34 4.387 8.590 6.466
227 HB ILE 34 HB ILE 34 4.688 6.294 6.939
228 HG12 ILE 34 1HG1 ILE 34 2.737 5.700 4.703
229 HG13 ILE 34 2HG1 ILE 34 4.478 5.450 4.638
230 HG21 ILE 34 1HG2 ILE 34 1.979 5.713 7.111
231 HG22 ILE 34 2HG2 ILE 34 2.965 6.525 8.327
232 HG23 ILE 34 3HG2 ILE 34 2.057 7.474 7.150
233 HD11 ILE 34 3HD1 ILE 34 2.387 3.899 6.060
234 HD12 ILE 34 1HD1 ILE 34 3.770 3.341 5.120
235 HD13 ILE 34 2HD1 ILE 34 4.007 3.966 6.752
236 H HIS 35 H HIS 35 3.674 8.206 3.220
237 HA HIS 35 HA HIS 35 6.467 7.538 2.563
238 HB2 HIS 35 1HB HIS 35 4.086 7.378 0.710
239 HB3 HIS 35 2HB HIS 35 5.705 6.749 0.424
240 HD1 HIS 35 HD1 HIS 35 6.396 4.877 2.425
241 HD2 HIS 35 HD2 HIS 35 2.388 5.436 1.483
242 HE1 HIS 35 HE1 HIS 35 5.218 2.809 3.240
243 H THR 36 H THR 36 3.893 9.852 2.159
244 HA THR 36 HA THR 36 4.775 11.389 0.053
245 HB THR 36 HB THR 36 3.720 13.343 1.224
246 HG1 THR 36 HG1 THR 36 3.828 11.513 3.324
247 HG21 THR 36 3HG2 THR 36 2.131 12.315 -0.046
248 HG22 THR 36 1HG2 THR 36 1.446 11.984 1.544
249 HG23 THR 36 2HG2 THR 36 2.384 10.743 0.712
250 H GLY 37 H GLY 37 6.474 12.668 -0.331
251 HA2 GLY 37 1HA GLY 37 8.672 12.775 1.429
252 HA3 GLY 37 2HA GLY 37 8.476 13.747 -0.022
253 H GLU 38 H GLU 38 9.305 14.184 2.949
254 HA GLU 38 HA GLU 38 7.628 16.571 3.363
255 HB2 GLU 38 1HB GLU 38 7.725 14.563 5.093
256 HB3 GLU 38 2HB GLU 38 9.194 15.383 5.606
257 HG2 GLU 38 1HG GLU 38 6.383 16.431 5.619
258 HG3 GLU 38 2HG GLU 38 7.467 16.184 6.988
259 H LYS 39 H LYS 39 8.986 17.862 2.062
260 HA LYS 39 HA LYS 39 10.889 19.030 1.484
261 HB2 LYS 39 1HB LYS 39 11.561 20.572 3.251
262 HB3 LYS 39 2HB LYS 39 9.812 20.391 3.222
263 HG2 LYS 39 1HG LYS 39 9.759 19.252 5.216
264 HG3 LYS 39 2HG LYS 39 11.422 18.684 5.060
265 HD2 LYS 39 1HD LYS 39 12.313 20.721 5.746
266 HD3 LYS 39 2HD LYS 39 10.831 21.605 5.372
267 HE2 LYS 39 1HE LYS 39 10.871 21.486 7.710
268 HE3 LYS 39 2HE LYS 39 9.748 20.217 7.223
269 HZ1 LYS 39 3HZ LYS 39 12.577 19.867 8.052
270 HZ2 LYS 39 1HZ LYS 39 11.610 18.626 7.429
271 HZ3 LYS 39 2HZ LYS 39 11.200 19.363 8.895
272 HA PRO 40 HA PRO 40 13.799 15.775 3.320
273 HB2 PRO 40 1HB PRO 40 14.176 14.341 1.046
274 HB3 PRO 40 2HB PRO 40 12.892 13.981 2.207
275 HG2 PRO 40 1HG PRO 40 12.745 15.491 -0.374
276 HG3 PRO 40 2HG PRO 40 11.625 14.282 0.280
277 HD2 PRO 40 1HD PRO 40 11.143 16.942 0.425
278 HD3 PRO 40 2HD PRO 40 10.596 15.804 1.672
279 H SER 41 H SER 41 15.972 15.100 2.149
280 HA SER 41 HA SER 41 17.086 17.583 1.041
281 HB2 SER 41 1HB SER 41 18.104 16.777 3.139
282 HB3 SER 41 2HB SER 41 18.511 15.253 2.351
283 HG SER 41 HG SER 41 19.622 16.768 0.771
284 H GLY 42 H GLY 42 16.895 17.463 -1.131
285 HA2 GLY 42 1HA GLY 42 17.735 16.864 -3.224
286 HA3 GLY 42 2HA GLY 42 18.490 15.456 -2.491
287 HA PRO 43 HA PRO 43 13.841 14.379 -3.421
288 HB2 PRO 43 1HB PRO 43 12.641 15.985 -5.251
289 HB3 PRO 43 2HB PRO 43 12.565 16.288 -3.511
290 HG2 PRO 43 1HG PRO 43 14.340 17.533 -5.575
291 HG3 PRO 43 2HG PRO 43 13.472 18.303 -4.234
292 HD2 PRO 43 1HD PRO 43 16.113 17.718 -4.115
293 HD3 PRO 43 2HD PRO 43 15.063 17.686 -2.684
294 H SER 44 H SER 44 15.446 16.023 -6.152
295 HA SER 44 HA SER 44 15.735 15.347 -8.331
296 HB2 SER 44 1HB SER 44 17.537 14.212 -6.837
297 HB3 SER 44 2HB SER 44 16.639 12.729 -7.160
298 HG SER 44 HG SER 44 17.424 14.426 -9.268
299 H SER 45 H SER 45 13.092 15.018 -7.691
300 HA SER 45 HA SER 45 12.198 12.354 -8.284
301 HB2 SER 45 1HB SER 45 10.993 14.208 -6.904
302 HB3 SER 45 2HB SER 45 10.444 14.786 -8.477
303 HG SER 45 HG SER 45 9.732 12.515 -8.787
304 H GLY 46 H GLY 46 11.953 15.468 -10.014
305 HA2 GLY 46 1HA GLY 46 12.570 15.579 -12.360
306 HA3 GLY 46 2HA GLY 46 11.974 13.935 -12.536
Start of MODEL 4
1 H1 GLY 1 H GLY 1 18.621 -16.704 -7.449
2 HA2 GLY 1 1HA GLY 1 16.728 -15.205 -7.240
3 HA3 GLY 1 2HA GLY 1 16.099 -16.821 -7.523
4 H SER 2 H SER 2 15.702 -14.165 -5.679
5 HA SER 2 HA SER 2 14.450 -15.727 -3.527
6 HB2 SER 2 1HB SER 2 16.248 -13.322 -3.226
7 HB3 SER 2 2HB SER 2 15.125 -13.823 -1.962
8 HG SER 2 HG SER 2 16.588 -15.205 -1.395
9 H SER 3 H SER 3 12.513 -14.950 -2.771
10 HA SER 3 HA SER 3 11.530 -12.346 -3.466
11 HB2 SER 3 1HB SER 3 10.620 -14.771 -4.982
12 HB3 SER 3 2HB SER 3 9.492 -13.449 -4.682
13 HG SER 3 HG SER 3 11.965 -12.673 -5.619
14 H GLY 4 H GLY 4 9.346 -11.963 -2.619
15 HA2 GLY 4 1HA GLY 4 8.031 -13.896 -0.999
16 HA3 GLY 4 2HA GLY 4 9.023 -12.834 -0.010
17 H SER 5 H SER 5 6.168 -13.110 -1.953
18 HA SER 5 HA SER 5 5.363 -10.527 -2.344
19 HB2 SER 5 1HB SER 5 4.158 -12.807 -2.829
20 HB3 SER 5 2HB SER 5 3.364 -12.496 -1.285
21 HG SER 5 HG SER 5 3.462 -10.466 -3.219
22 H SER 6 H SER 6 4.813 -8.843 -1.116
23 HA SER 6 HA SER 6 5.128 -8.968 1.715
24 HB2 SER 6 1HB SER 6 4.452 -6.564 1.642
25 HB3 SER 6 2HB SER 6 5.766 -6.952 0.532
26 HG SER 6 HG SER 6 4.222 -7.033 -1.148
27 H GLY 7 H GLY 7 3.555 -10.467 2.412
28 HA2 GLY 7 1HA GLY 7 1.550 -10.950 3.436
29 HA3 GLY 7 2HA GLY 7 1.064 -9.287 3.140
30 H SER 8 H SER 8 -0.083 -12.171 2.726
31 HA SER 8 HA SER 8 -0.841 -11.913 -0.092
32 HB2 SER 8 1HB SER 8 -1.316 -14.187 1.850
33 HB3 SER 8 2HB SER 8 -1.717 -14.202 0.133
34 HG SER 8 HG SER 8 0.672 -14.635 1.360
35 H SER 9 H SER 9 -2.256 -10.128 0.196
36 HA SER 9 HA SER 9 -4.958 -10.842 0.593
37 HB2 SER 9 1HB SER 9 -4.608 -10.792 2.934
38 HB3 SER 9 2HB SER 9 -3.601 -9.347 2.834
39 HG SER 9 HG SER 9 -6.212 -9.139 1.896
40 H THR 10 H THR 10 -6.055 -9.587 -0.751
41 HA THR 10 HA THR 10 -4.938 -6.953 -1.442
42 HB THR 10 HB THR 10 -5.110 -8.487 -3.341
43 HG1 THR 10 HG1 THR 10 -6.530 -7.083 -4.634
44 HG21 THR 10 3HG2 THR 10 -7.510 -9.270 -2.132
45 HG22 THR 10 1HG2 THR 10 -6.852 -9.843 -3.664
46 HG23 THR 10 2HG2 THR 10 -7.978 -8.486 -3.641
47 H LYS 11 H LYS 11 -6.067 -5.147 -1.054
48 HA LYS 11 HA LYS 11 -8.845 -5.443 -0.114
49 HB2 LYS 11 1HB LYS 11 -6.870 -4.598 1.443
50 HB3 LYS 11 2HB LYS 11 -7.204 -3.068 0.642
51 HG2 LYS 11 1HG LYS 11 -8.612 -2.842 2.394
52 HG3 LYS 11 2HG LYS 11 -9.696 -3.717 1.310
53 HD2 LYS 11 1HD LYS 11 -7.926 -5.315 3.081
54 HD3 LYS 11 2HD LYS 11 -9.290 -4.476 3.825
55 HE2 LYS 11 1HE LYS 11 -9.432 -6.416 1.518
56 HE3 LYS 11 2HE LYS 11 -9.897 -6.751 3.186
57 HZ1 LYS 11 3HZ LYS 11 -11.878 -5.846 2.843
58 HZ2 LYS 11 1HZ LYS 11 -11.511 -5.762 1.194
59 HZ3 LYS 11 2HZ LYS 11 -11.212 -4.432 2.195
60 H SER 12 H SER 12 -10.300 -3.681 -0.578
61 HA SER 12 HA SER 12 -10.604 -2.964 -3.145
62 HB2 SER 12 1HB SER 12 -11.229 -1.163 -0.792
63 HB3 SER 12 2HB SER 12 -11.936 -1.028 -2.401
64 HG SER 12 HG SER 12 -12.391 -2.923 -0.401
65 H HIS 13 H HIS 13 -9.035 -0.801 -0.778
66 HA HIS 13 HA HIS 13 -7.670 0.522 -3.026
67 HB2 HIS 13 1HB HIS 13 -7.845 1.691 -0.267
68 HB3 HIS 13 2HB HIS 13 -7.642 2.516 -1.810
69 HD1 HIS 13 HD1 HIS 13 -9.825 2.674 -3.330
70 HD2 HIS 13 HD2 HIS 13 -10.438 1.434 0.587
71 HE1 HIS 13 HE1 HIS 13 -12.291 2.941 -2.919
72 H GLN 14 H GLN 14 -5.778 -0.527 -3.289
73 HA GLN 14 HA GLN 14 -4.166 -1.149 -0.920
74 HB2 GLN 14 1HB GLN 14 -4.688 -2.856 -2.786
75 HB3 GLN 14 2HB GLN 14 -3.502 -1.969 -3.735
76 HG2 GLN 14 1HG GLN 14 -2.165 -3.574 -2.847
77 HG3 GLN 14 2HG GLN 14 -2.013 -2.339 -1.599
78 HE21 GLN 14 1HE2 GLN 14 -1.566 -5.117 -1.257
79 HE22 GLN 14 2HE2 GLN 14 -2.724 -5.698 -0.115
80 H CYS 15 H CYS 15 -2.269 -0.167 -0.496
81 HA CYS 15 HA CYS 15 -1.665 2.301 -1.728
82 HB2 CYS 15 1HB CYS 15 -1.115 1.680 0.638
83 HB3 CYS 15 2HB CYS 15 0.160 0.637 0.016
84 H HIS 16 H HIS 16 0.485 2.852 -2.664
85 HA HIS 16 HA HIS 16 1.349 0.733 -4.517
86 HB2 HIS 16 1HB HIS 16 0.922 3.659 -4.846
87 HB3 HIS 16 2HB HIS 16 2.245 2.928 -5.750
88 HD1 HIS 16 HD1 HIS 16 1.563 1.028 -7.474
89 HD2 HIS 16 HD2 HIS 16 -1.591 3.197 -5.859
90 HE1 HIS 16 HE1 HIS 16 -0.410 0.551 -8.957
91 H GLU 17 H GLU 17 2.344 2.968 -2.086
92 HA GLU 17 HA GLU 17 5.139 2.920 -2.706
93 HB2 GLU 17 1HB GLU 17 3.902 3.605 -0.042
94 HB3 GLU 17 2HB GLU 17 5.453 4.137 -0.678
95 HG2 GLU 17 1HG GLU 17 2.776 4.894 -1.826
96 HG3 GLU 17 2HG GLU 17 3.720 5.889 -0.719
97 H CYS 18 H CYS 18 3.035 1.201 -0.444
98 HA CYS 18 HA CYS 18 5.259 -0.661 0.086
99 HB2 CYS 18 1HB CYS 18 4.255 -1.080 2.298
100 HB3 CYS 18 2HB CYS 18 4.710 0.609 2.098
101 H GLY 19 H GLY 19 1.784 -0.291 -0.402
102 HA2 GLY 19 1HA GLY 19 0.565 -1.828 -1.770
103 HA3 GLY 19 2HA GLY 19 1.702 -3.087 -1.309
104 H ARG 20 H ARG 20 0.471 -0.973 1.136
105 HA ARG 20 HA ARG 20 -0.622 -3.147 2.609
106 HB2 ARG 20 1HB ARG 20 -0.386 -0.206 2.984
107 HB3 ARG 20 2HB ARG 20 -1.607 -1.045 3.932
108 HG2 ARG 20 1HG ARG 20 0.412 -2.662 4.454
109 HG3 ARG 20 2HG ARG 20 1.351 -1.220 4.063
110 HD2 ARG 20 1HD ARG 20 0.376 0.019 5.801
111 HD3 ARG 20 2HD ARG 20 -0.946 -1.132 5.993
112 HE ARG 20 HE ARG 20 0.409 -2.433 7.320
113 HH11 ARG 20 1HH1 ARG 20 2.312 0.016 5.738
114 HH12 ARG 20 2HH1 ARG 20 3.731 -0.292 6.682
115 HH21 ARG 20 1HH2 ARG 20 2.271 -2.848 8.569
116 HH22 ARG 20 2HH2 ARG 20 3.708 -1.922 8.292
117 H GLY 21 H GLY 21 -2.853 -3.274 3.391
118 HA2 GLY 21 1HA GLY 21 -4.749 -2.437 1.286
119 HA3 GLY 21 2HA GLY 21 -4.906 -3.912 2.227
120 H PHE 22 H PHE 22 -6.283 -1.042 1.817
121 HA PHE 22 HA PHE 22 -7.073 -0.839 4.647
122 HB2 PHE 22 1HB PHE 22 -6.730 1.419 2.664
123 HB3 PHE 22 2HB PHE 22 -7.404 1.596 4.281
124 HD1 PHE 22 HD1 PHE 22 -5.978 1.331 6.255
125 HD2 PHE 22 HD2 PHE 22 -4.382 1.190 2.312
126 HE1 PHE 22 HE1 PHE 22 -3.716 1.669 7.163
127 HE2 PHE 22 HE2 PHE 22 -2.118 1.527 3.213
128 HZ PHE 22 HZ PHE 22 -1.782 1.766 5.641
129 H THR 23 H THR 23 -9.176 -1.077 5.027
130 HA THR 23 HA THR 23 -10.998 -1.711 2.966
131 HB THR 23 HB THR 23 -11.572 -0.971 5.842
132 HG1 THR 23 HG1 THR 23 -11.456 -3.565 4.685
133 HG21 THR 23 3HG2 THR 23 -13.389 -2.771 4.392
134 HG22 THR 23 1HG2 THR 23 -13.403 -1.098 3.837
135 HG23 THR 23 2HG2 THR 23 -13.749 -1.470 5.526
136 H LEU 24 H LEU 24 -10.677 1.172 5.023
137 HA LEU 24 HA LEU 24 -12.658 2.563 3.386
138 HB2 LEU 24 1HB LEU 24 -11.339 3.158 6.013
139 HB3 LEU 24 2HB LEU 24 -12.222 4.401 5.129
140 HG LEU 24 HG LEU 24 -13.449 1.793 6.011
141 HD11 LEU 24 1HD1 LEU 24 -12.565 3.490 7.813
142 HD12 LEU 24 2HD1 LEU 24 -14.147 2.729 7.978
143 HD13 LEU 24 3HD1 LEU 24 -14.022 4.379 7.368
144 HD21 LEU 24 3HD2 LEU 24 -15.076 2.455 4.645
145 HD22 LEU 24 1HD2 LEU 24 -14.319 4.028 4.389
146 HD23 LEU 24 2HD2 LEU 24 -15.376 3.774 5.778
147 H LYS 25 H LYS 25 -12.095 3.898 1.806
148 HA LYS 25 HA LYS 25 -9.585 4.261 0.803
149 HB2 LYS 25 1HB LYS 25 -11.500 4.911 -0.484
150 HB3 LYS 25 2HB LYS 25 -11.955 6.129 0.700
151 HG2 LYS 25 1HG LYS 25 -11.008 7.307 -1.094
152 HG3 LYS 25 2HG LYS 25 -9.767 7.279 0.160
153 HD2 LYS 25 1HD LYS 25 -8.528 6.706 -1.689
154 HD3 LYS 25 2HD LYS 25 -8.988 5.110 -1.092
155 HE2 LYS 25 1HE LYS 25 -10.637 4.850 -2.740
156 HE3 LYS 25 2HE LYS 25 -10.646 6.570 -3.126
157 HZ1 LYS 25 3HZ LYS 25 -9.438 5.728 -4.857
158 HZ2 LYS 25 1HZ LYS 25 -8.736 4.494 -3.936
159 HZ3 LYS 25 2HZ LYS 25 -8.185 6.085 -3.778
160 H SER 26 H SER 26 -11.251 6.403 3.097
161 HA SER 26 HA SER 26 -9.428 8.434 3.328
162 HB2 SER 26 1HB SER 26 -10.235 8.707 5.667
163 HB3 SER 26 2HB SER 26 -11.550 8.479 4.514
164 HG SER 26 HG SER 26 -12.108 6.980 5.895
165 H HIS 27 H HIS 27 -9.366 5.304 4.995
166 HA HIS 27 HA HIS 27 -7.178 5.706 6.645
167 HB2 HIS 27 1HB HIS 27 -8.125 3.207 5.237
168 HB3 HIS 27 2HB HIS 27 -6.843 3.206 6.444
169 HD1 HIS 27 HD1 HIS 27 -9.411 1.613 6.932
170 HD2 HIS 27 HD2 HIS 27 -8.828 5.520 8.222
171 HE1 HIS 27 HE1 HIS 27 -10.998 1.930 8.857
172 H LEU 28 H LEU 28 -7.106 4.117 3.447
173 HA LEU 28 HA LEU 28 -4.378 3.888 3.164
174 HB2 LEU 28 1HB LEU 28 -5.713 2.822 1.567
175 HB3 LEU 28 2HB LEU 28 -6.573 4.307 1.166
176 HG LEU 28 HG LEU 28 -4.452 5.149 0.128
177 HD11 LEU 28 1HD1 LEU 28 -3.219 3.165 1.466
178 HD12 LEU 28 2HD1 LEU 28 -2.558 3.937 0.026
179 HD13 LEU 28 3HD1 LEU 28 -3.417 2.403 -0.112
180 HD21 LEU 28 3HD2 LEU 28 -6.270 4.223 -1.213
181 HD22 LEU 28 1HD2 LEU 28 -5.605 2.603 -1.006
182 HD23 LEU 28 2HD2 LEU 28 -4.699 3.820 -1.906
183 H ASN 29 H ASN 29 -6.432 6.657 2.348
184 HA ASN 29 HA ASN 29 -4.513 8.271 1.140
185 HB2 ASN 29 1HB ASN 29 -7.095 8.753 2.537
186 HB3 ASN 29 2HB ASN 29 -6.044 10.144 2.283
187 HD21 ASN 29 1HD2 ASN 29 -7.077 7.293 0.431
188 HD22 ASN 29 2HD2 ASN 29 -7.463 8.162 -1.011
189 H GLN 30 H GLN 30 -5.670 8.614 4.499
190 HA GLN 30 HA GLN 30 -3.628 10.331 5.329
191 HB2 GLN 30 1HB GLN 30 -5.535 10.233 6.702
192 HB3 GLN 30 2HB GLN 30 -5.474 8.479 6.812
193 HG2 GLN 30 1HG GLN 30 -4.818 9.602 8.898
194 HG3 GLN 30 2HG GLN 30 -3.544 8.580 8.235
195 HE21 GLN 30 1HE2 GLN 30 -2.046 9.772 9.496
196 HE22 GLN 30 2HE2 GLN 30 -1.498 11.327 8.982
197 H HIS 31 H HIS 31 -3.512 7.027 4.607
198 HA HIS 31 HA HIS 31 -1.356 6.353 6.399
199 HB2 HIS 31 1HB HIS 31 -2.555 4.449 5.931
200 HB3 HIS 31 2HB HIS 31 -2.899 4.942 4.275
201 HD1 HIS 31 HD1 HIS 31 -0.092 3.499 6.360
202 HD2 HIS 31 HD2 HIS 31 -1.231 3.880 2.383
203 HE1 HIS 31 HE1 HIS 31 1.539 2.097 5.057
204 H GLN 32 H GLN 32 -1.712 7.114 2.963
205 HA GLN 32 HA GLN 32 0.907 6.606 2.149
206 HB2 GLN 32 1HB GLN 32 -1.292 8.360 1.144
207 HB3 GLN 32 2HB GLN 32 0.316 8.546 0.457
208 HG2 GLN 32 1HG GLN 32 0.211 5.990 0.116
209 HG3 GLN 32 2HG GLN 32 -1.525 6.196 0.341
210 HE21 GLN 32 1HE2 GLN 32 -1.072 5.214 -1.955
211 HE22 GLN 32 2HE2 GLN 32 -1.088 6.373 -3.236
212 H ARG 33 H ARG 33 -0.408 9.198 4.016
213 HA ARG 33 HA ARG 33 1.392 11.250 3.572
214 HB2 ARG 33 1HB ARG 33 0.344 10.531 6.306
215 HB3 ARG 33 2HB ARG 33 0.756 12.126 5.692
216 HG2 ARG 33 1HG ARG 33 -1.643 10.443 5.117
217 HG3 ARG 33 2HG ARG 33 -1.554 12.125 5.642
218 HD2 ARG 33 1HD ARG 33 -0.656 11.133 2.941
219 HD3 ARG 33 2HD ARG 33 -2.241 11.833 3.266
220 HE ARG 33 HE ARG 33 -0.243 13.606 4.145
221 HH11 ARG 33 1HH1 ARG 33 -1.607 12.328 1.208
222 HH12 ARG 33 2HH1 ARG 33 -1.226 13.731 0.267
223 HH21 ARG 33 1HH2 ARG 33 0.264 15.459 2.916
224 HH22 ARG 33 2HH2 ARG 33 -0.160 15.511 1.239
225 H ILE 34 H ILE 34 1.985 8.173 4.883
226 HA ILE 34 HA ILE 34 4.237 8.878 6.515
227 HB ILE 34 HB ILE 34 4.583 6.557 6.841
228 HG12 ILE 34 1HG1 ILE 34 2.816 6.121 4.424
229 HG13 ILE 34 2HG1 ILE 34 4.549 5.826 4.518
230 HG21 ILE 34 1HG2 ILE 34 1.870 7.622 6.914
231 HG22 ILE 34 2HG2 ILE 34 1.930 5.860 6.878
232 HG23 ILE 34 3HG2 ILE 34 2.778 6.745 8.146
233 HD11 ILE 34 3HD1 ILE 34 3.709 3.714 4.766
234 HD12 ILE 34 1HD1 ILE 34 3.872 4.212 6.450
235 HD13 ILE 34 2HD1 ILE 34 2.294 4.262 5.664
236 H HIS 35 H HIS 35 3.763 7.679 3.231
237 HA HIS 35 HA HIS 35 6.586 7.421 2.724
238 HB2 HIS 35 1HB HIS 35 4.365 7.456 0.679
239 HB3 HIS 35 2HB HIS 35 5.968 6.745 0.514
240 HD1 HIS 35 HD1 HIS 35 6.392 4.694 2.340
241 HD2 HIS 35 HD2 HIS 35 2.472 5.649 1.347
242 HE1 HIS 35 HE1 HIS 35 5.026 2.684 2.985
243 H THR 36 H THR 36 4.137 9.854 2.321
244 HA THR 36 HA THR 36 6.085 11.572 0.928
245 HB THR 36 HB THR 36 4.104 11.220 -0.429
246 HG1 THR 36 HG1 THR 36 3.875 13.817 0.702
247 HG21 THR 36 3HG2 THR 36 2.503 10.642 1.300
248 HG22 THR 36 1HG2 THR 36 1.890 11.994 0.350
249 HG23 THR 36 2HG2 THR 36 2.575 12.279 1.950
250 H GLY 37 H GLY 37 6.136 11.214 3.746
251 HA2 GLY 37 1HA GLY 37 5.586 13.981 4.557
252 HA3 GLY 37 2HA GLY 37 4.952 12.675 5.547
253 H GLU 38 H GLU 38 6.168 12.058 7.202
254 HA GLU 38 HA GLU 38 8.728 13.190 7.661
255 HB2 GLU 38 1HB GLU 38 6.976 12.405 9.380
256 HB3 GLU 38 2HB GLU 38 7.641 10.798 9.127
257 HG2 GLU 38 1HG GLU 38 9.512 13.014 9.766
258 HG3 GLU 38 2HG GLU 38 8.503 12.361 11.055
259 H LYS 39 H LYS 39 10.713 11.980 8.069
260 HA LYS 39 HA LYS 39 12.415 10.812 7.041
261 HB2 LYS 39 1HB LYS 39 12.210 8.394 7.444
262 HB3 LYS 39 2HB LYS 39 11.688 9.333 8.836
263 HG2 LYS 39 1HG LYS 39 9.454 8.810 8.515
264 HG3 LYS 39 2HG LYS 39 9.697 8.374 6.822
265 HD2 LYS 39 1HD LYS 39 10.593 6.304 7.351
266 HD3 LYS 39 2HD LYS 39 11.050 6.805 8.980
267 HE2 LYS 39 1HE LYS 39 8.598 6.959 9.507
268 HE3 LYS 39 2HE LYS 39 8.285 6.208 7.944
269 HZ1 LYS 39 3HZ LYS 39 10.182 4.642 9.229
270 HZ2 LYS 39 1HZ LYS 39 8.566 4.253 8.913
271 HZ3 LYS 39 2HZ LYS 39 8.989 4.979 10.381
272 HA PRO 40 HA PRO 40 9.989 10.207 3.029
273 HB2 PRO 40 1HB PRO 40 11.002 12.356 1.713
274 HB3 PRO 40 2HB PRO 40 9.537 12.436 2.700
275 HG2 PRO 40 1HG PRO 40 12.336 13.241 3.394
276 HG3 PRO 40 2HG PRO 40 10.813 14.084 3.733
277 HD2 PRO 40 1HD PRO 40 12.103 12.603 5.596
278 HD3 PRO 40 2HD PRO 40 10.335 12.753 5.553
279 H SER 41 H SER 41 11.107 10.310 0.742
280 HA SER 41 HA SER 41 13.475 8.683 0.957
281 HB2 SER 41 1HB SER 41 11.922 9.660 -1.450
282 HB3 SER 41 2HB SER 41 13.282 8.540 -1.529
283 HG SER 41 HG SER 41 11.589 7.210 -1.407
284 H GLY 42 H GLY 42 15.374 9.103 -0.481
285 HA2 GLY 42 1HA GLY 42 15.979 11.995 -0.568
286 HA3 GLY 42 2HA GLY 42 17.151 10.801 -0.029
287 HA PRO 43 HA PRO 43 16.593 10.129 -4.795
288 HB2 PRO 43 1HB PRO 43 15.215 12.054 -6.124
289 HB3 PRO 43 2HB PRO 43 14.444 10.615 -5.446
290 HG2 PRO 43 1HG PRO 43 14.592 13.388 -4.329
291 HG3 PRO 43 2HG PRO 43 13.213 12.275 -4.379
292 HD2 PRO 43 1HD PRO 43 14.712 12.636 -2.154
293 HD3 PRO 43 2HD PRO 43 13.946 11.084 -2.547
294 H SER 44 H SER 44 18.328 10.661 -5.978
295 HA SER 44 HA SER 44 19.158 13.440 -6.218
296 HB2 SER 44 1HB SER 44 20.258 12.298 -4.155
297 HB3 SER 44 2HB SER 44 21.229 11.439 -5.352
298 HG SER 44 HG SER 44 21.022 14.254 -5.043
299 H SER 45 H SER 45 20.745 13.781 -7.887
300 HA SER 45 HA SER 45 20.256 12.423 -10.241
301 HB2 SER 45 1HB SER 45 22.005 13.685 -11.210
302 HB3 SER 45 2HB SER 45 21.404 14.694 -9.894
303 HG SER 45 HG SER 45 23.209 13.336 -8.735
304 H GLY 46 H GLY 46 21.532 10.980 -11.511
305 HA2 GLY 46 1HA GLY 46 23.776 9.686 -11.284
306 HA3 GLY 46 2HA GLY 46 22.993 9.052 -9.844
Start of MODEL 5
1 H1 GLY 1 H GLY 1 8.506 -30.351 -7.505
2 HA2 GLY 1 1HA GLY 1 8.808 -28.686 -5.892
3 HA3 GLY 1 2HA GLY 1 9.600 -27.688 -7.102
4 H SER 2 H SER 2 7.519 -26.974 -5.171
5 HA SER 2 HA SER 2 5.707 -25.697 -7.050
6 HB2 SER 2 1HB SER 2 4.410 -27.645 -6.593
7 HB3 SER 2 2HB SER 2 4.775 -27.567 -4.869
8 HG SER 2 HG SER 2 2.722 -26.747 -5.202
9 H SER 3 H SER 3 4.890 -23.759 -6.323
10 HA SER 3 HA SER 3 6.190 -22.679 -3.955
11 HB2 SER 3 1HB SER 3 5.956 -21.541 -6.307
12 HB3 SER 3 2HB SER 3 4.360 -21.083 -5.715
13 HG SER 3 HG SER 3 6.774 -20.574 -4.316
14 H GLY 4 H GLY 4 4.868 -21.159 -2.565
15 HA2 GLY 4 1HA GLY 4 2.245 -22.405 -2.017
16 HA3 GLY 4 2HA GLY 4 3.316 -21.795 -0.765
17 H SER 5 H SER 5 1.010 -20.962 -3.234
18 HA SER 5 HA SER 5 1.251 -18.146 -3.044
19 HB2 SER 5 1HB SER 5 0.128 -19.423 -4.914
20 HB3 SER 5 2HB SER 5 -1.234 -19.683 -3.825
21 HG SER 5 HG SER 5 -0.252 -17.084 -4.271
22 H SER 6 H SER 6 1.368 -17.811 -0.756
23 HA SER 6 HA SER 6 -1.236 -18.012 0.609
24 HB2 SER 6 1HB SER 6 0.049 -17.959 2.730
25 HB3 SER 6 2HB SER 6 0.481 -19.340 1.721
26 HG SER 6 HG SER 6 1.926 -16.902 1.735
27 H GLY 7 H GLY 7 -1.948 -16.019 -0.295
28 HA2 GLY 7 1HA GLY 7 -1.500 -13.774 1.335
29 HA3 GLY 7 2HA GLY 7 -0.547 -13.591 -0.130
30 H SER 8 H SER 8 -3.738 -15.080 0.230
31 HA SER 8 HA SER 8 -4.744 -13.451 -1.936
32 HB2 SER 8 1HB SER 8 -6.221 -15.489 -0.255
33 HB3 SER 8 2HB SER 8 -6.733 -14.833 -1.810
34 HG SER 8 HG SER 8 -5.619 -16.369 -2.687
35 H SER 9 H SER 9 -5.798 -11.597 -1.717
36 HA SER 9 HA SER 9 -7.632 -11.074 0.398
37 HB2 SER 9 1HB SER 9 -5.395 -10.723 1.528
38 HB3 SER 9 2HB SER 9 -5.132 -9.374 0.423
39 HG SER 9 HG SER 9 -6.827 -8.298 1.330
40 H THR 10 H THR 10 -9.175 -10.146 -0.767
41 HA THR 10 HA THR 10 -8.494 -8.407 -3.002
42 HB THR 10 HB THR 10 -10.912 -8.433 -3.500
43 HG1 THR 10 HG1 THR 10 -10.980 -9.595 -0.979
44 HG21 THR 10 3HG2 THR 10 -10.522 -11.296 -3.125
45 HG22 THR 10 1HG2 THR 10 -9.106 -10.497 -3.807
46 HG23 THR 10 2HG2 THR 10 -10.669 -10.362 -4.613
47 H LYS 11 H LYS 11 -7.686 -6.609 -1.831
48 HA LYS 11 HA LYS 11 -9.546 -5.191 -0.087
49 HB2 LYS 11 1HB LYS 11 -6.934 -5.537 0.219
50 HB3 LYS 11 2HB LYS 11 -6.859 -4.098 -0.788
51 HG2 LYS 11 1HG LYS 11 -6.788 -3.356 1.447
52 HG3 LYS 11 2HG LYS 11 -8.414 -2.999 0.859
53 HD2 LYS 11 1HD LYS 11 -8.710 -3.915 3.010
54 HD3 LYS 11 2HD LYS 11 -9.110 -5.217 1.888
55 HE2 LYS 11 1HE LYS 11 -7.750 -6.364 3.310
56 HE3 LYS 11 2HE LYS 11 -6.536 -5.762 2.183
57 HZ1 LYS 11 3HZ LYS 11 -5.596 -5.126 4.132
58 HZ2 LYS 11 1HZ LYS 11 -7.073 -4.960 4.941
59 HZ3 LYS 11 2HZ LYS 11 -6.554 -3.757 3.871
60 H SER 12 H SER 12 -10.367 -3.162 -0.512
61 HA SER 12 HA SER 12 -10.819 -2.521 -3.240
62 HB2 SER 12 1HB SER 12 -11.510 -1.219 -0.625
63 HB3 SER 12 2HB SER 12 -11.775 -0.350 -2.137
64 HG SER 12 HG SER 12 -13.244 -2.312 -1.034
65 H HIS 13 H HIS 13 -9.356 -0.464 -0.719
66 HA HIS 13 HA HIS 13 -7.776 0.852 -2.812
67 HB2 HIS 13 1HB HIS 13 -8.004 1.811 0.029
68 HB3 HIS 13 2HB HIS 13 -7.634 2.739 -1.421
69 HD1 HIS 13 HD1 HIS 13 -9.692 3.193 -3.055
70 HD2 HIS 13 HD2 HIS 13 -10.659 1.700 0.699
71 HE1 HIS 13 HE1 HIS 13 -12.153 3.626 -2.774
72 H GLN 14 H GLN 14 -5.711 0.331 -3.037
73 HA GLN 14 HA GLN 14 -4.250 -0.684 -0.688
74 HB2 GLN 14 1HB GLN 14 -4.830 -2.398 -2.493
75 HB3 GLN 14 2HB GLN 14 -3.689 -1.542 -3.521
76 HG2 GLN 14 1HG GLN 14 -1.952 -1.929 -1.761
77 HG3 GLN 14 2HG GLN 14 -3.114 -2.969 -0.940
78 HE21 GLN 14 1HE2 GLN 14 -0.957 -4.241 -1.477
79 HE22 GLN 14 2HE2 GLN 14 -1.074 -5.241 -2.881
80 H CYS 15 H CYS 15 -2.120 -0.038 -0.437
81 HA CYS 15 HA CYS 15 -1.452 2.488 -1.604
82 HB2 CYS 15 1HB CYS 15 -0.916 1.666 0.771
83 HB3 CYS 15 2HB CYS 15 0.411 0.776 0.031
84 H HIS 16 H HIS 16 0.656 2.928 -2.625
85 HA HIS 16 HA HIS 16 1.438 0.722 -4.415
86 HB2 HIS 16 1HB HIS 16 0.502 2.337 -5.820
87 HB3 HIS 16 2HB HIS 16 1.159 3.675 -4.882
88 HD1 HIS 16 HD1 HIS 16 3.077 4.795 -5.952
89 HD2 HIS 16 HD2 HIS 16 2.756 0.827 -7.140
90 HE1 HIS 16 HE1 HIS 16 4.907 4.450 -7.642
91 H GLU 17 H GLU 17 2.483 2.912 -2.021
92 HA GLU 17 HA GLU 17 5.267 2.902 -2.762
93 HB2 GLU 17 1HB GLU 17 4.113 3.684 -0.088
94 HB3 GLU 17 2HB GLU 17 5.639 4.196 -0.795
95 HG2 GLU 17 1HG GLU 17 2.926 4.902 -1.885
96 HG3 GLU 17 2HG GLU 17 3.895 5.939 -0.840
97 H CYS 18 H CYS 18 3.226 1.261 -0.390
98 HA CYS 18 HA CYS 18 5.476 -0.556 0.179
99 HB2 CYS 18 1HB CYS 18 4.527 -0.914 2.402
100 HB3 CYS 18 2HB CYS 18 4.848 0.797 2.139
101 H GLY 19 H GLY 19 2.021 -0.258 -0.412
102 HA2 GLY 19 1HA GLY 19 0.852 -1.869 -1.733
103 HA3 GLY 19 2HA GLY 19 1.991 -3.092 -1.190
104 H ARG 20 H ARG 20 0.617 -0.866 1.091
105 HA ARG 20 HA ARG 20 -0.514 -3.024 2.602
106 HB2 ARG 20 1HB ARG 20 -0.157 -0.098 2.967
107 HB3 ARG 20 2HB ARG 20 -1.450 -0.861 3.881
108 HG2 ARG 20 1HG ARG 20 0.441 -2.575 4.505
109 HG3 ARG 20 2HG ARG 20 1.492 -1.218 4.093
110 HD2 ARG 20 1HD ARG 20 1.122 -0.969 6.383
111 HD3 ARG 20 2HD ARG 20 -0.009 0.163 5.644
112 HE ARG 20 HE ARG 20 -1.428 -2.158 5.952
113 HH11 ARG 20 1HH1 ARG 20 0.334 -0.019 8.058
114 HH12 ARG 20 2HH1 ARG 20 -0.660 -0.347 9.439
115 HH21 ARG 20 1HH2 ARG 20 -2.744 -2.600 7.763
116 HH22 ARG 20 2HH2 ARG 20 -2.409 -1.816 9.270
117 H GLY 21 H GLY 21 -2.779 -2.940 3.421
118 HA2 GLY 21 1HA GLY 21 -4.612 -2.027 1.289
119 HA3 GLY 21 2HA GLY 21 -4.815 -3.557 2.130
120 H PHE 22 H PHE 22 -6.531 -1.093 1.859
121 HA PHE 22 HA PHE 22 -7.219 -0.916 4.693
122 HB2 PHE 22 1HB PHE 22 -6.937 1.528 2.932
123 HB3 PHE 22 2HB PHE 22 -7.458 1.510 4.613
124 HD1 PHE 22 HD2 PHE 22 -4.597 0.996 2.355
125 HD2 PHE 22 HD1 PHE 22 -5.891 1.394 6.391
126 HE1 PHE 22 HE2 PHE 22 -2.259 1.244 3.077
127 HE2 PHE 22 HE1 PHE 22 -3.554 1.643 7.119
128 HZ PHE 22 HZ PHE 22 -1.734 1.567 5.461
129 H THR 23 H THR 23 -9.321 -1.243 4.971
130 HA THR 23 HA THR 23 -11.094 -1.719 2.857
131 HB THR 23 HB THR 23 -11.881 -0.986 5.682
132 HG1 THR 23 HG1 THR 23 -10.943 -3.417 4.556
133 HG21 THR 23 3HG2 THR 23 -13.265 -2.225 3.357
134 HG22 THR 23 1HG2 THR 23 -13.883 -1.110 4.574
135 HG23 THR 23 2HG2 THR 23 -13.661 -2.814 4.971
136 H LEU 24 H LEU 24 -10.815 1.094 5.017
137 HA LEU 24 HA LEU 24 -12.758 2.555 3.413
138 HB2 LEU 24 1HB LEU 24 -11.408 3.018 6.037
139 HB3 LEU 24 2HB LEU 24 -12.139 4.372 5.178
140 HG LEU 24 HG LEU 24 -13.699 1.895 5.857
141 HD11 LEU 24 1HD1 LEU 24 -14.568 3.319 7.782
142 HD12 LEU 24 2HD1 LEU 24 -13.112 4.291 7.568
143 HD13 LEU 24 3HD1 LEU 24 -12.978 2.581 7.979
144 HD21 LEU 24 3HD2 LEU 24 -15.183 4.316 5.900
145 HD22 LEU 24 1HD2 LEU 24 -15.327 2.954 4.789
146 HD23 LEU 24 2HD2 LEU 24 -14.227 4.281 4.417
147 H LYS 25 H LYS 25 -12.232 3.971 1.881
148 HA LYS 25 HA LYS 25 -9.739 4.263 0.786
149 HB2 LYS 25 1HB LYS 25 -12.138 5.113 0.044
150 HB3 LYS 25 2HB LYS 25 -11.556 6.629 0.719
151 HG2 LYS 25 1HG LYS 25 -9.981 5.088 -1.316
152 HG3 LYS 25 2HG LYS 25 -11.224 6.256 -1.771
153 HD2 LYS 25 1HD LYS 25 -10.029 8.052 -0.909
154 HD3 LYS 25 2HD LYS 25 -9.051 7.023 0.141
155 HE2 LYS 25 1HE LYS 25 -7.522 7.493 -1.493
156 HE3 LYS 25 2HE LYS 25 -8.240 6.028 -2.161
157 HZ1 LYS 25 3HZ LYS 25 -8.030 8.417 -3.437
158 HZ2 LYS 25 1HZ LYS 25 -9.643 8.407 -2.928
159 HZ3 LYS 25 2HZ LYS 25 -9.052 7.147 -3.888
160 H SER 26 H SER 26 -11.291 6.497 3.085
161 HA SER 26 HA SER 26 -9.369 8.423 3.313
162 HB2 SER 26 1HB SER 26 -11.527 8.471 4.515
163 HB3 SER 26 2HB SER 26 -10.935 7.223 5.610
164 HG SER 26 HG SER 26 -10.228 9.922 5.427
165 H HIS 27 H HIS 27 -9.519 5.452 5.278
166 HA HIS 27 HA HIS 27 -7.321 5.682 6.833
167 HB2 HIS 27 1HB HIS 27 -8.381 3.275 5.365
168 HB3 HIS 27 2HB HIS 27 -7.013 3.154 6.468
169 HD1 HIS 27 HD1 HIS 27 -9.486 1.592 7.166
170 HD2 HIS 27 HD2 HIS 27 -8.871 5.506 8.416
171 HE1 HIS 27 HE1 HIS 27 -10.938 1.885 9.199
172 H LEU 28 H LEU 28 -7.143 4.039 3.669
173 HA LEU 28 HA LEU 28 -4.393 3.894 3.480
174 HB2 LEU 28 1HB LEU 28 -5.640 2.680 1.915
175 HB3 LEU 28 2HB LEU 28 -6.546 4.103 1.404
176 HG LEU 28 HG LEU 28 -4.482 4.972 0.334
177 HD11 LEU 28 1HD1 LEU 28 -3.396 2.372 1.347
178 HD12 LEU 28 2HD1 LEU 28 -2.701 3.989 1.456
179 HD13 LEU 28 3HD1 LEU 28 -2.723 3.142 -0.090
180 HD21 LEU 28 3HD2 LEU 28 -5.812 4.022 -1.256
181 HD22 LEU 28 1HD2 LEU 28 -5.825 2.446 -0.466
182 HD23 LEU 28 2HD2 LEU 28 -4.409 2.960 -1.384
183 H ASN 29 H ASN 29 -6.450 6.373 1.939
184 HA ASN 29 HA ASN 29 -4.607 8.020 0.850
185 HB2 ASN 29 1HB ASN 29 -7.203 8.278 1.121
186 HB3 ASN 29 2HB ASN 29 -6.767 9.284 2.499
187 HD21 ASN 29 1HD2 ASN 29 -7.561 11.145 1.563
188 HD22 ASN 29 2HD2 ASN 29 -6.775 11.928 0.238
189 H GLN 30 H GLN 30 -5.628 8.146 4.258
190 HA GLN 30 HA GLN 30 -3.777 10.172 4.981
191 HB2 GLN 30 1HB GLN 30 -5.451 8.223 6.538
192 HB3 GLN 30 2HB GLN 30 -4.288 9.263 7.350
193 HG2 GLN 30 1HG GLN 30 -6.600 10.175 5.652
194 HG3 GLN 30 2HG GLN 30 -6.516 10.219 7.413
195 HE21 GLN 30 1HE2 GLN 30 -5.692 11.777 4.489
196 HE22 GLN 30 2HE2 GLN 30 -4.880 13.139 5.175
197 H HIS 31 H HIS 31 -3.607 6.701 4.779
198 HA HIS 31 HA HIS 31 -1.283 6.361 6.381
199 HB2 HIS 31 1HB HIS 31 -2.377 4.357 6.135
200 HB3 HIS 31 2HB HIS 31 -2.825 4.682 4.463
201 HD1 HIS 31 HD1 HIS 31 -0.114 3.220 6.561
202 HD2 HIS 31 HD2 HIS 31 -0.909 3.928 2.545
203 HE1 HIS 31 HE1 HIS 31 1.609 1.899 5.291
204 H GLN 32 H GLN 32 -1.831 6.882 2.935
205 HA GLN 32 HA GLN 32 0.716 6.386 1.959
206 HB2 GLN 32 1HB GLN 32 -1.480 8.237 1.095
207 HB3 GLN 32 2HB GLN 32 0.065 8.249 0.256
208 HG2 GLN 32 1HG GLN 32 -0.290 5.700 0.054
209 HG3 GLN 32 2HG GLN 32 -1.974 6.072 0.423
210 HE21 GLN 32 1HE2 GLN 32 -1.434 4.907 -1.929
211 HE22 GLN 32 2HE2 GLN 32 -1.619 6.028 -3.230
212 H ARG 33 H ARG 33 -0.274 8.789 4.125
213 HA ARG 33 HA ARG 33 1.468 10.898 3.472
214 HB2 ARG 33 1HB ARG 33 0.262 10.050 6.107
215 HB3 ARG 33 2HB ARG 33 1.194 11.527 5.902
216 HG2 ARG 33 1HG ARG 33 -0.479 12.124 4.071
217 HG3 ARG 33 2HG ARG 33 -1.471 10.820 4.728
218 HD2 ARG 33 1HD ARG 33 -2.085 13.009 5.657
219 HD3 ARG 33 2HD ARG 33 -1.502 11.900 6.898
220 HE ARG 33 HE ARG 33 0.678 13.389 6.035
221 HH11 ARG 33 1HH1 ARG 33 -2.368 13.928 7.632
222 HH12 ARG 33 2HH1 ARG 33 -1.806 15.305 8.522
223 HH21 ARG 33 1HH2 ARG 33 1.429 15.200 7.200
224 HH22 ARG 33 2HH2 ARG 33 0.354 16.028 8.275
225 H ILE 34 H ILE 34 1.951 7.901 5.195
226 HA ILE 34 HA ILE 34 4.402 8.563 6.444
227 HB ILE 34 HB ILE 34 4.660 6.263 6.924
228 HG12 ILE 34 1HG1 ILE 34 2.697 5.725 4.685
229 HG13 ILE 34 2HG1 ILE 34 4.423 5.381 4.657
230 HG21 ILE 34 1HG2 ILE 34 2.962 6.583 8.332
231 HG22 ILE 34 2HG2 ILE 34 2.033 7.478 7.131
232 HG23 ILE 34 3HG2 ILE 34 1.966 5.716 7.163
233 HD11 ILE 34 3HD1 ILE 34 3.909 3.911 6.722
234 HD12 ILE 34 1HD1 ILE 34 2.244 3.995 6.148
235 HD13 ILE 34 2HD1 ILE 34 3.502 3.322 5.110
236 H HIS 35 H HIS 35 3.652 8.234 3.214
237 HA HIS 35 HA HIS 35 6.420 7.498 2.524
238 HB2 HIS 35 1HB HIS 35 3.988 7.329 0.736
239 HB3 HIS 35 2HB HIS 35 5.606 6.732 0.379
240 HD1 HIS 35 HD1 HIS 35 6.385 4.934 2.489
241 HD2 HIS 35 HD2 HIS 35 2.388 5.275 1.409
242 HE1 HIS 35 HE1 HIS 35 5.288 2.820 3.296
243 H THR 36 H THR 36 4.078 9.971 2.486
244 HA THR 36 HA THR 36 5.407 11.471 0.364
245 HB THR 36 HB THR 36 3.602 13.003 0.435
246 HG1 THR 36 HG1 THR 36 2.490 13.388 2.210
247 HG21 THR 36 3HG2 THR 36 3.062 10.161 0.368
248 HG22 THR 36 1HG2 THR 36 2.416 11.450 -0.646
249 HG23 THR 36 2HG2 THR 36 1.648 11.073 0.896
250 H GLY 37 H GLY 37 7.123 11.083 2.437
251 HA2 GLY 37 1HA GLY 37 7.372 13.813 3.498
252 HA3 GLY 37 2HA GLY 37 7.479 12.456 4.610
253 H GLU 38 H GLU 38 9.609 13.427 5.064
254 HA GLU 38 HA GLU 38 11.656 13.391 3.086
255 HB2 GLU 38 1HB GLU 38 13.189 13.801 4.932
256 HB3 GLU 38 2HB GLU 38 11.770 14.829 5.078
257 HG2 GLU 38 1HG GLU 38 10.862 13.021 6.649
258 HG3 GLU 38 2HG GLU 38 12.522 12.430 6.701
259 H LYS 39 H LYS 39 13.442 11.973 2.921
260 HA LYS 39 HA LYS 39 13.549 9.525 4.401
261 HB2 LYS 39 1HB LYS 39 13.240 8.064 2.369
262 HB3 LYS 39 2HB LYS 39 11.774 8.817 2.982
263 HG2 LYS 39 1HG LYS 39 11.483 9.243 0.780
264 HG3 LYS 39 2HG LYS 39 12.441 10.666 1.195
265 HD2 LYS 39 1HD LYS 39 14.479 9.436 0.497
266 HD3 LYS 39 2HD LYS 39 13.453 8.096 -0.021
267 HE2 LYS 39 1HE LYS 39 13.937 9.377 -1.958
268 HE3 LYS 39 2HE LYS 39 12.266 9.730 -1.521
269 HZ1 LYS 39 3HZ LYS 39 13.031 11.770 -0.451
270 HZ2 LYS 39 1HZ LYS 39 13.443 11.745 -2.092
271 HZ3 LYS 39 2HZ LYS 39 14.622 11.435 -0.919
272 HA PRO 40 HA PRO 40 17.754 9.915 3.164
273 HB2 PRO 40 1HB PRO 40 18.600 7.388 3.684
274 HB3 PRO 40 2HB PRO 40 18.252 8.565 4.956
275 HG2 PRO 40 1HG PRO 40 16.544 6.336 3.919
276 HG3 PRO 40 2HG PRO 40 16.824 6.844 5.594
277 HD2 PRO 40 1HD PRO 40 14.594 7.527 4.218
278 HD3 PRO 40 2HD PRO 40 15.315 8.580 5.453
279 H SER 41 H SER 41 18.840 9.776 1.290
280 HA SER 41 HA SER 41 18.106 7.635 -0.595
281 HB2 SER 41 1HB SER 41 18.467 10.581 -1.153
282 HB3 SER 41 2HB SER 41 18.497 9.360 -2.424
283 HG SER 41 HG SER 41 16.362 8.818 -1.074
284 H GLY 42 H GLY 42 19.773 7.412 -2.381
285 HA2 GLY 42 1HA GLY 42 22.427 7.455 -1.127
286 HA3 GLY 42 2HA GLY 42 21.943 6.436 -2.474
287 HA PRO 43 HA PRO 43 24.008 9.235 -5.157
288 HB2 PRO 43 1HB PRO 43 22.745 8.629 -7.483
289 HB3 PRO 43 2HB PRO 43 23.930 7.558 -6.726
290 HG2 PRO 43 1HG PRO 43 20.940 7.436 -6.640
291 HG3 PRO 43 2HG PRO 43 22.108 6.119 -6.855
292 HD2 PRO 43 1HD PRO 43 20.914 6.634 -4.480
293 HD3 PRO 43 2HD PRO 43 22.562 5.984 -4.599
294 H SER 44 H SER 44 23.637 11.069 -6.575
295 HA SER 44 HA SER 44 21.004 12.325 -6.151
296 HB2 SER 44 1HB SER 44 22.025 14.428 -5.808
297 HB3 SER 44 2HB SER 44 23.010 13.302 -4.875
298 HG SER 44 HG SER 44 24.393 14.571 -6.056
299 H SER 45 H SER 45 20.459 14.003 -7.775
300 HA SER 45 HA SER 45 21.675 13.497 -10.401
301 HB2 SER 45 1HB SER 45 18.711 13.514 -9.788
302 HB3 SER 45 2HB SER 45 19.394 13.513 -11.414
303 HG SER 45 HG SER 45 18.789 11.406 -10.419
304 H GLY 46 H GLY 46 22.228 15.316 -11.401
305 HA2 GLY 46 1HA GLY 46 20.928 17.821 -10.527
306 HA3 GLY 46 2HA GLY 46 22.605 17.711 -11.040
Start of MODEL 6
1 H1 GLY 1 H GLY 1 9.899 -11.370 12.715
2 HA2 GLY 1 1HA GLY 1 10.259 -9.276 11.392
3 HA3 GLY 1 2HA GLY 1 11.268 -10.259 10.342
4 H SER 2 H SER 2 7.982 -10.400 11.726
5 HA SER 2 HA SER 2 6.823 -11.988 9.783
6 HB2 SER 2 1HB SER 2 5.841 -11.078 12.007
7 HB3 SER 2 2HB SER 2 5.302 -9.712 11.030
8 HG SER 2 HG SER 2 4.760 -12.239 10.021
9 H SER 3 H SER 3 5.741 -11.614 7.863
10 HA SER 3 HA SER 3 6.641 -9.299 6.382
11 HB2 SER 3 1HB SER 3 6.712 -11.426 5.244
12 HB3 SER 3 2HB SER 3 5.005 -11.714 5.577
13 HG SER 3 HG SER 3 4.501 -10.529 3.917
14 H GLY 4 H GLY 4 3.484 -10.762 7.166
15 HA2 GLY 4 1HA GLY 4 1.927 -8.924 8.075
16 HA3 GLY 4 2HA GLY 4 2.215 -8.188 6.506
17 H SER 5 H SER 5 1.543 -9.400 4.596
18 HA SER 5 HA SER 5 -1.037 -10.053 4.432
19 HB2 SER 5 1HB SER 5 0.642 -10.040 2.538
20 HB3 SER 5 2HB SER 5 1.034 -11.703 2.974
21 HG SER 5 HG SER 5 -1.637 -11.367 2.757
22 H SER 6 H SER 6 -2.310 -11.358 5.550
23 HA SER 6 HA SER 6 -1.240 -13.960 6.428
24 HB2 SER 6 1HB SER 6 -2.764 -13.848 8.333
25 HB3 SER 6 2HB SER 6 -1.742 -12.410 8.295
26 HG SER 6 HG SER 6 -3.431 -11.198 7.785
27 H GLY 7 H GLY 7 -2.302 -13.705 3.879
28 HA2 GLY 7 1HA GLY 7 -3.648 -15.528 2.931
29 HA3 GLY 7 2HA GLY 7 -4.848 -15.178 4.167
30 H SER 8 H SER 8 -5.272 -15.283 1.327
31 HA SER 8 HA SER 8 -5.293 -12.939 -0.065
32 HB2 SER 8 1HB SER 8 -6.168 -15.184 -0.838
33 HB3 SER 8 2HB SER 8 -7.668 -14.808 0.008
34 HG SER 8 HG SER 8 -7.561 -12.781 -1.328
35 H SER 9 H SER 9 -5.995 -10.970 0.380
36 HA SER 9 HA SER 9 -8.222 -10.655 2.275
37 HB2 SER 9 1HB SER 9 -6.044 -8.698 1.502
38 HB3 SER 9 2HB SER 9 -7.347 -8.366 2.643
39 HG SER 9 HG SER 9 -6.468 -9.734 4.075
40 H THR 10 H THR 10 -10.079 -9.766 1.629
41 HA THR 10 HA THR 10 -10.386 -9.054 -1.161
42 HB THR 10 HB THR 10 -12.097 -10.437 -0.045
43 HG1 THR 10 HG1 THR 10 -12.610 -8.043 -1.332
44 HG21 THR 10 3HG2 THR 10 -13.067 -8.018 1.423
45 HG22 THR 10 1HG2 THR 10 -11.828 -9.043 2.146
46 HG23 THR 10 2HG2 THR 10 -13.401 -9.723 1.729
47 H LYS 11 H LYS 11 -8.726 -7.234 0.000
48 HA LYS 11 HA LYS 11 -10.164 -4.928 0.930
49 HB2 LYS 11 1HB LYS 11 -7.658 -5.690 1.327
50 HB3 LYS 11 2HB LYS 11 -7.376 -4.733 -0.121
51 HG2 LYS 11 1HG LYS 11 -6.988 -3.298 1.703
52 HG3 LYS 11 2HG LYS 11 -8.561 -2.837 1.047
53 HD2 LYS 11 1HD LYS 11 -8.807 -2.880 3.403
54 HD3 LYS 11 2HD LYS 11 -9.592 -4.341 2.797
55 HE2 LYS 11 1HE LYS 11 -6.724 -4.507 3.554
56 HE3 LYS 11 2HE LYS 11 -7.913 -4.389 4.850
57 HZ1 LYS 11 3HZ LYS 11 -8.629 -6.305 2.838
58 HZ2 LYS 11 1HZ LYS 11 -8.567 -6.477 4.520
59 HZ3 LYS 11 2HZ LYS 11 -7.164 -6.675 3.598
60 H SER 12 H SER 12 -10.069 -2.825 -0.160
61 HA SER 12 HA SER 12 -10.352 -3.142 -3.073
62 HB2 SER 12 1HB SER 12 -11.732 -1.357 -1.086
63 HB3 SER 12 2HB SER 12 -11.686 -0.928 -2.796
64 HG SER 12 HG SER 12 -12.413 -3.375 -2.852
65 H HIS 13 H HIS 13 -9.461 -0.654 -0.676
66 HA HIS 13 HA HIS 13 -7.830 0.707 -2.657
67 HB2 HIS 13 1HB HIS 13 -8.106 1.440 0.255
68 HB3 HIS 13 2HB HIS 13 -7.644 2.482 -1.088
69 HD1 HIS 13 HD1 HIS 13 -9.719 2.647 -2.980
70 HD2 HIS 13 HD2 HIS 13 -10.678 1.799 0.972
71 HE1 HIS 13 HE1 HIS 13 -12.155 3.224 -2.741
72 H GLN 14 H GLN 14 -5.743 0.314 -2.942
73 HA GLN 14 HA GLN 14 -4.192 -0.778 -0.692
74 HB2 GLN 14 1HB GLN 14 -4.812 -2.456 -2.527
75 HB3 GLN 14 2HB GLN 14 -3.702 -1.563 -3.557
76 HG2 GLN 14 1HG GLN 14 -2.023 -1.951 -1.602
77 HG3 GLN 14 2HG GLN 14 -3.129 -3.255 -1.174
78 HE21 GLN 14 1HE2 GLN 14 -0.673 -2.190 -3.299
79 HE22 GLN 14 2HE2 GLN 14 -0.571 -3.619 -4.265
80 H CYS 15 H CYS 15 -2.118 -0.026 -0.447
81 HA CYS 15 HA CYS 15 -1.528 2.495 -1.678
82 HB2 CYS 15 1HB CYS 15 -1.003 1.851 0.720
83 HB3 CYS 15 2HB CYS 15 0.308 0.867 0.080
84 H HIS 16 H HIS 16 0.554 2.979 -2.708
85 HA HIS 16 HA HIS 16 1.408 0.757 -4.440
86 HB2 HIS 16 1HB HIS 16 1.103 3.698 -4.911
87 HB3 HIS 16 2HB HIS 16 2.275 2.790 -5.861
88 HD1 HIS 16 HD1 HIS 16 1.050 0.457 -6.919
89 HD2 HIS 16 HD2 HIS 16 -1.280 3.811 -6.156
90 HE1 HIS 16 HE1 HIS 16 -1.016 0.173 -8.324
91 H GLU 17 H GLU 17 2.433 3.093 -2.124
92 HA GLU 17 HA GLU 17 5.215 3.050 -2.766
93 HB2 GLU 17 1HB GLU 17 4.009 3.745 -0.091
94 HB3 GLU 17 2HB GLU 17 5.542 4.291 -0.756
95 HG2 GLU 17 1HG GLU 17 2.815 5.019 -1.802
96 HG3 GLU 17 2HG GLU 17 3.851 6.045 -0.812
97 H CYS 18 H CYS 18 3.166 1.327 -0.457
98 HA CYS 18 HA CYS 18 5.424 -0.493 0.071
99 HB2 CYS 18 1HB CYS 18 4.445 -0.913 2.289
100 HB3 CYS 18 2HB CYS 18 4.847 0.787 2.073
101 H GLY 19 H GLY 19 1.923 -0.210 -0.338
102 HA2 GLY 19 1HA GLY 19 0.698 -1.760 -1.680
103 HA3 GLY 19 2HA GLY 19 1.898 -2.986 -1.301
104 H ARG 20 H ARG 20 0.188 -0.823 0.922
105 HA ARG 20 HA ARG 20 -0.612 -3.130 2.498
106 HB2 ARG 20 1HB ARG 20 -0.434 -0.194 2.951
107 HB3 ARG 20 2HB ARG 20 -1.612 -1.090 3.901
108 HG2 ARG 20 1HG ARG 20 0.389 -2.666 4.412
109 HG3 ARG 20 2HG ARG 20 1.364 -1.285 3.907
110 HD2 ARG 20 1HD ARG 20 0.494 0.082 5.621
111 HD3 ARG 20 2HD ARG 20 -0.814 -1.050 5.963
112 HE ARG 20 HE ARG 20 0.613 -2.243 7.300
113 HH11 ARG 20 1HH1 ARG 20 2.458 -0.053 5.320
114 HH12 ARG 20 2HH1 ARG 20 3.950 -0.358 6.145
115 HH21 ARG 20 1HH2 ARG 20 2.572 -2.653 8.394
116 HH22 ARG 20 2HH2 ARG 20 4.014 -1.838 7.893
117 H GLY 21 H GLY 21 -2.848 -3.206 3.392
118 HA2 GLY 21 1HA GLY 21 -4.786 -2.427 1.302
119 HA3 GLY 21 2HA GLY 21 -4.915 -3.891 2.265
120 H PHE 22 H PHE 22 -6.389 -1.105 1.837
121 HA PHE 22 HA PHE 22 -7.128 -0.870 4.675
122 HB2 PHE 22 1HB PHE 22 -6.778 1.410 2.717
123 HB3 PHE 22 2HB PHE 22 -7.418 1.568 4.349
124 HD1 PHE 22 HD1 PHE 22 -5.942 1.127 6.296
125 HD2 PHE 22 HD2 PHE 22 -4.455 1.290 2.311
126 HE1 PHE 22 HE1 PHE 22 -3.659 1.426 7.163
127 HE2 PHE 22 HE2 PHE 22 -2.170 1.588 3.172
128 HZ PHE 22 HZ PHE 22 -1.769 1.656 5.601
129 H THR 23 H THR 23 -9.243 -1.023 5.065
130 HA THR 23 HA THR 23 -11.067 -1.617 2.975
131 HB THR 23 HB THR 23 -11.722 -0.917 5.843
132 HG1 THR 23 HG1 THR 23 -11.607 -3.196 6.152
133 HG21 THR 23 3HG2 THR 23 -13.292 -2.797 4.134
134 HG22 THR 23 1HG2 THR 23 -13.524 -1.060 3.939
135 HG23 THR 23 2HG2 THR 23 -13.817 -1.819 5.504
136 H LEU 24 H LEU 24 -10.721 1.190 5.132
137 HA LEU 24 HA LEU 24 -12.737 2.648 3.620
138 HB2 LEU 24 1HB LEU 24 -11.113 3.422 6.039
139 HB3 LEU 24 2HB LEU 24 -12.371 4.416 5.307
140 HG LEU 24 HG LEU 24 -12.851 1.695 6.515
141 HD11 LEU 24 1HD1 LEU 24 -12.067 3.611 8.066
142 HD12 LEU 24 2HD1 LEU 24 -13.504 2.687 8.501
143 HD13 LEU 24 3HD1 LEU 24 -13.670 4.283 7.770
144 HD21 LEU 24 3HD2 LEU 24 -14.776 1.875 5.408
145 HD22 LEU 24 1HD2 LEU 24 -14.452 3.551 4.961
146 HD23 LEU 24 2HD2 LEU 24 -15.184 3.180 6.523
147 H LYS 25 H LYS 25 -12.215 3.810 1.903
148 HA LYS 25 HA LYS 25 -9.800 4.173 0.751
149 HB2 LYS 25 1HB LYS 25 -11.956 4.845 -0.258
150 HB3 LYS 25 2HB LYS 25 -11.994 6.253 0.795
151 HG2 LYS 25 1HG LYS 25 -11.219 7.060 -1.252
152 HG3 LYS 25 2HG LYS 25 -9.768 6.899 -0.259
153 HD2 LYS 25 1HD LYS 25 -9.400 4.658 -1.318
154 HD3 LYS 25 2HD LYS 25 -10.731 5.026 -2.417
155 HE2 LYS 25 1HE LYS 25 -9.454 7.131 -3.026
156 HE3 LYS 25 2HE LYS 25 -8.086 6.437 -2.157
157 HZ1 LYS 25 3HZ LYS 25 -9.382 5.465 -4.625
158 HZ2 LYS 25 1HZ LYS 25 -8.450 4.429 -3.665
159 HZ3 LYS 25 2HZ LYS 25 -7.748 5.806 -4.351
160 H SER 26 H SER 26 -11.236 6.316 3.186
161 HA SER 26 HA SER 26 -9.345 8.324 3.236
162 HB2 SER 26 1HB SER 26 -11.438 8.384 4.536
163 HB3 SER 26 2HB SER 26 -10.801 7.143 5.615
164 HG SER 26 HG SER 26 -9.045 8.681 6.024
165 H HIS 27 H HIS 27 -9.368 5.384 5.255
166 HA HIS 27 HA HIS 27 -7.115 5.654 6.712
167 HB2 HIS 27 1HB HIS 27 -8.209 3.233 5.302
168 HB3 HIS 27 2HB HIS 27 -6.768 3.125 6.309
169 HD1 HIS 27 HD1 HIS 27 -9.378 1.623 7.025
170 HD2 HIS 27 HD2 HIS 27 -8.311 5.345 8.529
171 HE1 HIS 27 HE1 HIS 27 -10.641 1.862 9.187
172 H LEU 28 H LEU 28 -7.064 4.102 3.497
173 HA LEU 28 HA LEU 28 -4.325 3.935 3.195
174 HB2 LEU 28 1HB LEU 28 -5.729 2.814 1.653
175 HB3 LEU 28 2HB LEU 28 -6.515 4.316 1.170
176 HG LEU 28 HG LEU 28 -4.396 5.031 0.104
177 HD11 LEU 28 1HD1 LEU 28 -2.911 3.636 1.523
178 HD12 LEU 28 2HD1 LEU 28 -2.591 3.485 -0.205
179 HD13 LEU 28 3HD1 LEU 28 -3.472 2.214 0.643
180 HD21 LEU 28 3HD2 LEU 28 -6.203 3.890 -1.151
181 HD22 LEU 28 1HD2 LEU 28 -5.381 2.354 -0.874
182 HD23 LEU 28 2HD2 LEU 28 -4.598 3.613 -1.830
183 H ASN 29 H ASN 29 -6.405 6.492 1.820
184 HA ASN 29 HA ASN 29 -4.553 8.159 0.756
185 HB2 ASN 29 1HB ASN 29 -7.161 8.640 2.117
186 HB3 ASN 29 2HB ASN 29 -6.153 10.040 1.761
187 HD21 ASN 29 1HD2 ASN 29 -8.087 7.493 0.455
188 HD22 ASN 29 2HD2 ASN 29 -8.119 8.068 -1.174
189 H GLN 30 H GLN 30 -5.652 8.341 4.146
190 HA GLN 30 HA GLN 30 -3.750 10.279 4.920
191 HB2 GLN 30 1HB GLN 30 -5.925 9.579 6.104
192 HB3 GLN 30 2HB GLN 30 -4.974 8.274 6.800
193 HG2 GLN 30 1HG GLN 30 -3.661 9.717 8.045
194 HG3 GLN 30 2HG GLN 30 -4.049 11.104 7.029
195 HE21 GLN 30 1HE2 GLN 30 -6.275 11.897 7.127
196 HE22 GLN 30 2HE2 GLN 30 -7.124 11.802 8.628
197 H HIS 31 H HIS 31 -3.640 6.808 4.680
198 HA HIS 31 HA HIS 31 -1.369 6.377 6.319
199 HB2 HIS 31 1HB HIS 31 -2.447 4.390 5.953
200 HB3 HIS 31 2HB HIS 31 -2.879 4.805 4.297
201 HD1 HIS 31 HD1 HIS 31 -0.185 3.228 6.338
202 HD2 HIS 31 HD2 HIS 31 -0.965 4.123 2.356
203 HE1 HIS 31 HE1 HIS 31 1.534 1.958 5.014
204 H GLN 32 H GLN 32 -1.758 6.848 2.824
205 HA GLN 32 HA GLN 32 0.803 6.425 1.946
206 HB2 GLN 32 1HB GLN 32 -1.175 8.527 1.062
207 HB3 GLN 32 2HB GLN 32 0.308 8.160 0.192
208 HG2 GLN 32 1HG GLN 32 -0.475 5.829 -0.072
209 HG3 GLN 32 2HG GLN 32 -1.995 6.290 0.694
210 HE21 GLN 32 1HE2 GLN 32 -2.051 5.203 -1.777
211 HE22 GLN 32 2HE2 GLN 32 -2.471 6.397 -2.952
212 H ARG 33 H ARG 33 -0.304 8.895 4.044
213 HA ARG 33 HA ARG 33 1.526 10.942 3.566
214 HB2 ARG 33 1HB ARG 33 0.247 10.046 6.152
215 HB3 ARG 33 2HB ARG 33 1.156 11.541 5.972
216 HG2 ARG 33 1HG ARG 33 -0.461 12.245 4.223
217 HG3 ARG 33 2HG ARG 33 -1.409 10.801 4.584
218 HD2 ARG 33 1HD ARG 33 -1.762 11.544 6.849
219 HD3 ARG 33 2HD ARG 33 -0.687 12.919 6.603
220 HE ARG 33 HE ARG 33 -2.952 12.820 4.816
221 HH11 ARG 33 1HH1 ARG 33 -1.713 13.956 7.864
222 HH12 ARG 33 2HH1 ARG 33 -2.861 15.247 7.998
223 HH21 ARG 33 1HH2 ARG 33 -4.469 14.515 4.980
224 HH22 ARG 33 2HH2 ARG 33 -4.429 15.563 6.358
225 H ILE 34 H ILE 34 1.874 7.926 5.319
226 HA ILE 34 HA ILE 34 4.280 8.496 6.658
227 HB ILE 34 HB ILE 34 4.500 6.175 7.051
228 HG12 ILE 34 1HG1 ILE 34 2.546 5.659 4.800
229 HG13 ILE 34 2HG1 ILE 34 4.293 5.504 4.649
230 HG21 ILE 34 1HG2 ILE 34 2.742 6.523 8.391
231 HG22 ILE 34 2HG2 ILE 34 1.838 7.372 7.138
232 HG23 ILE 34 3HG2 ILE 34 1.828 5.610 7.191
233 HD11 ILE 34 3HD1 ILE 34 4.124 3.844 6.582
234 HD12 ILE 34 1HD1 ILE 34 2.393 3.831 6.244
235 HD13 ILE 34 2HD1 ILE 34 3.539 3.333 4.999
236 H HIS 35 H HIS 35 3.679 8.267 3.378
237 HA HIS 35 HA HIS 35 6.464 7.514 2.790
238 HB2 HIS 35 1HB HIS 35 4.103 7.534 0.898
239 HB3 HIS 35 2HB HIS 35 5.724 6.941 0.546
240 HD1 HIS 35 HD1 HIS 35 6.416 4.978 2.535
241 HD2 HIS 35 HD2 HIS 35 2.457 5.459 1.367
242 HE1 HIS 35 HE1 HIS 35 5.268 2.827 3.148
243 H THR 36 H THR 36 3.992 9.947 2.346
244 HA THR 36 HA THR 36 5.055 11.549 0.386
245 HB THR 36 HB THR 36 3.939 13.452 1.448
246 HG1 THR 36 HG1 THR 36 3.364 11.723 3.633
247 HG21 THR 36 3HG2 THR 36 2.363 12.244 0.280
248 HG22 THR 36 1HG2 THR 36 1.669 12.205 1.900
249 HG23 THR 36 2HG2 THR 36 2.558 10.810 1.288
250 H GLY 37 H GLY 37 6.909 12.610 0.146
251 HA2 GLY 37 1HA GLY 37 8.199 14.379 1.636
252 HA3 GLY 37 2HA GLY 37 8.682 12.897 2.448
253 H GLU 38 H GLU 38 10.859 13.631 1.844
254 HA GLU 38 HA GLU 38 11.504 12.878 -0.932
255 HB2 GLU 38 1HB GLU 38 12.636 15.029 0.829
256 HB3 GLU 38 2HB GLU 38 13.598 14.347 -0.474
257 HG2 GLU 38 1HG GLU 38 10.854 15.319 -1.080
258 HG3 GLU 38 2HG GLU 38 12.144 16.495 -0.836
259 H LYS 39 H LYS 39 13.996 12.350 -1.039
260 HA LYS 39 HA LYS 39 15.347 10.505 -0.683
261 HB2 LYS 39 1HB LYS 39 15.482 12.256 1.746
262 HB3 LYS 39 2HB LYS 39 16.440 10.783 1.676
263 HG2 LYS 39 1HG LYS 39 16.573 12.701 -0.598
264 HG3 LYS 39 2HG LYS 39 17.435 13.071 0.898
265 HD2 LYS 39 1HD LYS 39 19.068 11.905 -0.186
266 HD3 LYS 39 2HD LYS 39 18.244 10.561 0.608
267 HE2 LYS 39 1HE LYS 39 17.327 9.795 -1.339
268 HE3 LYS 39 2HE LYS 39 17.272 11.398 -2.071
269 HZ1 LYS 39 3HZ LYS 39 18.917 9.903 -3.103
270 HZ2 LYS 39 1HZ LYS 39 19.762 9.840 -1.639
271 HZ3 LYS 39 2HZ LYS 39 19.618 11.306 -2.469
272 HA PRO 40 HA PRO 40 12.130 8.244 1.951
273 HB2 PRO 40 1HB PRO 40 11.041 6.769 -0.052
274 HB3 PRO 40 2HB PRO 40 10.433 8.364 0.407
275 HG2 PRO 40 1HG PRO 40 12.252 7.606 -1.846
276 HG3 PRO 40 2HG PRO 40 10.883 8.733 -1.845
277 HD2 PRO 40 1HD PRO 40 13.456 9.565 -1.695
278 HD3 PRO 40 2HD PRO 40 12.124 10.435 -0.907
279 H SER 41 H SER 41 13.511 6.901 2.989
280 HA SER 41 HA SER 41 15.534 5.357 1.953
281 HB2 SER 41 1HB SER 41 15.554 4.168 4.009
282 HB3 SER 41 2HB SER 41 14.957 5.779 4.406
283 HG SER 41 HG SER 41 12.793 4.652 3.973
284 H GLY 42 H GLY 42 15.661 3.578 0.743
285 HA2 GLY 42 1HA GLY 42 13.202 1.973 0.399
286 HA3 GLY 42 2HA GLY 42 14.306 2.327 -0.922
287 HA PRO 43 HA PRO 43 16.293 -1.508 -0.130
288 HB2 PRO 43 1HB PRO 43 18.712 -1.001 -1.254
289 HB3 PRO 43 2HB PRO 43 17.249 -1.276 -2.206
290 HG2 PRO 43 1HG PRO 43 18.564 1.307 -1.458
291 HG3 PRO 43 2HG PRO 43 17.872 0.814 -3.014
292 HD2 PRO 43 1HD PRO 43 16.554 2.418 -1.276
293 HD3 PRO 43 2HD PRO 43 15.715 1.274 -2.343
294 H SER 44 H SER 44 16.323 -1.191 2.203
295 HA SER 44 HA SER 44 18.735 -0.019 3.339
296 HB2 SER 44 1HB SER 44 16.121 -0.976 4.442
297 HB3 SER 44 2HB SER 44 17.514 -0.866 5.518
298 HG SER 44 HG SER 44 16.030 1.061 5.170
299 H SER 45 H SER 45 17.045 -3.153 3.399
300 HA SER 45 HA SER 45 19.643 -4.474 3.700
301 HB2 SER 45 1HB SER 45 17.328 -4.634 5.579
302 HB3 SER 45 2HB SER 45 18.269 -6.097 5.290
303 HG SER 45 HG SER 45 20.078 -5.077 6.053
304 H GLY 46 H GLY 46 19.464 -6.866 3.313
305 HA2 GLY 46 1HA GLY 46 18.667 -7.560 0.859
306 HA3 GLY 46 2HA GLY 46 18.588 -8.706 2.188
Start of MODEL 7
1 H1 GLY 1 H GLY 1 6.942 -3.605 -4.224
2 HA2 GLY 1 1HA GLY 1 5.907 -4.537 -6.764
3 HA3 GLY 1 2HA GLY 1 7.497 -5.163 -6.352
4 H SER 2 H SER 2 4.356 -5.941 -6.324
5 HA SER 2 HA SER 2 4.747 -8.062 -4.418
6 HB2 SER 2 1HB SER 2 4.052 -6.423 -2.824
7 HB3 SER 2 2HB SER 2 2.755 -5.855 -3.875
8 HG SER 2 HG SER 2 1.527 -7.433 -3.207
9 H SER 3 H SER 3 3.675 -9.825 -5.058
10 HA SER 3 HA SER 3 1.562 -9.480 -7.083
11 HB2 SER 3 1HB SER 3 3.783 -11.457 -6.805
12 HB3 SER 3 2HB SER 3 2.276 -11.995 -7.545
13 HG SER 3 HG SER 3 2.559 -9.986 -8.878
14 H GLY 4 H GLY 4 -0.194 -9.425 -5.698
15 HA2 GLY 4 1HA GLY 4 -1.757 -10.206 -4.189
16 HA3 GLY 4 2HA GLY 4 -1.540 -11.704 -5.080
17 H SER 5 H SER 5 -0.628 -9.895 -2.231
18 HA SER 5 HA SER 5 1.290 -11.418 -1.055
19 HB2 SER 5 1HB SER 5 0.283 -10.788 1.139
20 HB3 SER 5 2HB SER 5 0.418 -9.428 0.025
21 HG SER 5 HG SER 5 -1.619 -9.319 0.818
22 H SER 6 H SER 6 1.102 -13.023 0.737
23 HA SER 6 HA SER 6 -0.414 -15.284 -0.178
24 HB2 SER 6 1HB SER 6 0.656 -16.438 1.778
25 HB3 SER 6 2HB SER 6 1.806 -15.680 0.677
26 HG SER 6 HG SER 6 2.228 -15.259 2.920
27 H GLY 7 H GLY 7 -2.577 -14.576 0.090
28 HA2 GLY 7 1HA GLY 7 -4.539 -14.967 1.318
29 HA3 GLY 7 2HA GLY 7 -3.577 -15.051 2.786
30 H SER 8 H SER 8 -5.874 -13.684 2.928
31 HA SER 8 HA SER 8 -6.867 -11.629 3.202
32 HB2 SER 8 1HB SER 8 -4.134 -11.228 4.435
33 HB3 SER 8 2HB SER 8 -5.489 -10.124 4.668
34 HG SER 8 HG SER 8 -6.356 -12.573 5.171
35 H SER 9 H SER 9 -5.987 -11.823 0.608
36 HA SER 9 HA SER 9 -4.885 -9.142 0.071
37 HB2 SER 9 1HB SER 9 -4.105 -10.056 -2.099
38 HB3 SER 9 2HB SER 9 -3.385 -10.892 -0.724
39 HG SER 9 HG SER 9 -5.710 -11.838 -2.030
40 H THR 10 H THR 10 -7.580 -9.406 0.603
41 HA THR 10 HA THR 10 -8.791 -9.057 -2.063
42 HB THR 10 HB THR 10 -10.976 -9.639 -0.969
43 HG1 THR 10 HG1 THR 10 -10.516 -10.996 1.036
44 HG21 THR 10 3HG2 THR 10 -9.521 -11.248 -2.285
45 HG22 THR 10 1HG2 THR 10 -10.678 -11.981 -1.175
46 HG23 THR 10 2HG2 THR 10 -8.974 -11.877 -0.731
47 H LYS 11 H LYS 11 -7.463 -6.975 -0.709
48 HA LYS 11 HA LYS 11 -9.443 -5.340 0.616
49 HB2 LYS 11 1HB LYS 11 -6.802 -5.446 0.913
50 HB3 LYS 11 2HB LYS 11 -6.855 -4.209 -0.336
51 HG2 LYS 11 1HG LYS 11 -6.810 -3.083 1.738
52 HG3 LYS 11 2HG LYS 11 -8.462 -2.948 1.129
53 HD2 LYS 11 1HD LYS 11 -8.760 -3.505 3.370
54 HD3 LYS 11 2HD LYS 11 -8.919 -5.057 2.542
55 HE2 LYS 11 1HE LYS 11 -6.357 -5.238 2.986
56 HE3 LYS 11 2HE LYS 11 -6.672 -4.019 4.220
57 HZ1 LYS 11 3HZ LYS 11 -7.580 -6.806 4.089
58 HZ2 LYS 11 1HZ LYS 11 -8.551 -5.672 4.886
59 HZ3 LYS 11 2HZ LYS 11 -6.963 -5.936 5.402
60 H SER 12 H SER 12 -10.099 -3.242 -0.132
61 HA SER 12 HA SER 12 -10.602 -3.230 -2.991
62 HB2 SER 12 1HB SER 12 -11.668 -1.673 -0.654
63 HB3 SER 12 2HB SER 12 -11.935 -1.099 -2.300
64 HG SER 12 HG SER 12 -12.869 -3.439 -1.053
65 H HIS 13 H HIS 13 -9.105 -1.106 -0.572
66 HA HIS 13 HA HIS 13 -7.821 0.370 -2.774
67 HB2 HIS 13 1HB HIS 13 -8.132 1.386 0.047
68 HB3 HIS 13 2HB HIS 13 -7.755 2.307 -1.407
69 HD1 HIS 13 HD1 HIS 13 -9.840 2.215 -3.255
70 HD2 HIS 13 HD2 HIS 13 -10.731 1.568 0.751
71 HE1 HIS 13 HE1 HIS 13 -12.310 2.633 -3.039
72 H GLN 14 H GLN 14 -5.802 -0.293 -3.079
73 HA GLN 14 HA GLN 14 -4.189 -1.014 -0.723
74 HB2 GLN 14 1HB GLN 14 -4.431 -2.921 -2.147
75 HB3 GLN 14 2HB GLN 14 -4.041 -1.976 -3.579
76 HG2 GLN 14 1HG GLN 14 -1.759 -1.648 -2.695
77 HG3 GLN 14 2HG GLN 14 -2.168 -2.696 -1.337
78 HE21 GLN 14 1HE2 GLN 14 -1.731 -4.771 -1.549
79 HE22 GLN 14 2HE2 GLN 14 -1.442 -5.601 -3.036
80 H CYS 15 H CYS 15 -2.205 -0.094 -0.427
81 HA CYS 15 HA CYS 15 -1.726 2.425 -1.644
82 HB2 CYS 15 1HB CYS 15 -1.068 1.802 0.693
83 HB3 CYS 15 2HB CYS 15 0.199 0.786 0.013
84 H HIS 16 H HIS 16 0.387 3.016 -2.651
85 HA HIS 16 HA HIS 16 1.186 0.935 -4.575
86 HB2 HIS 16 1HB HIS 16 1.047 3.936 -4.817
87 HB3 HIS 16 2HB HIS 16 1.951 2.948 -5.960
88 HD1 HIS 16 HD1 HIS 16 0.319 0.876 -6.971
89 HD2 HIS 16 HD2 HIS 16 -1.466 4.395 -5.671
90 HE1 HIS 16 HE1 HIS 16 -1.941 0.930 -8.073
91 H GLU 17 H GLU 17 2.298 3.210 -2.199
92 HA GLU 17 HA GLU 17 5.058 3.128 -2.899
93 HB2 GLU 17 1HB GLU 17 3.920 3.758 -0.177
94 HB3 GLU 17 2HB GLU 17 5.453 4.293 -0.850
95 HG2 GLU 17 1HG GLU 17 2.742 5.097 -1.878
96 HG3 GLU 17 2HG GLU 17 3.749 6.063 -0.802
97 H CYS 18 H CYS 18 3.081 1.427 -0.495
98 HA CYS 18 HA CYS 18 5.312 -0.461 -0.115
99 HB2 CYS 18 1HB CYS 18 4.420 -0.917 2.118
100 HB3 CYS 18 2HB CYS 18 4.773 0.798 1.928
101 H GLY 19 H GLY 19 1.806 -0.126 -0.428
102 HA2 GLY 19 1HA GLY 19 0.548 -1.634 -1.799
103 HA3 GLY 19 2HA GLY 19 1.724 -2.888 -1.437
104 H ARG 20 H ARG 20 0.429 -0.810 1.049
105 HA ARG 20 HA ARG 20 -0.463 -3.043 2.577
106 HB2 ARG 20 1HB ARG 20 -0.390 -0.096 2.918
107 HB3 ARG 20 2HB ARG 20 -1.575 -0.973 3.877
108 HG2 ARG 20 1HG ARG 20 0.410 -2.480 4.540
109 HG3 ARG 20 2HG ARG 20 1.408 -1.152 3.944
110 HD2 ARG 20 1HD ARG 20 0.144 0.374 5.467
111 HD3 ARG 20 2HD ARG 20 -0.650 -1.048 6.143
112 HE ARG 20 HE ARG 20 2.076 -0.193 6.590
113 HH11 ARG 20 1HH1 ARG 20 -0.231 -2.792 6.793
114 HH12 ARG 20 2HH1 ARG 20 0.657 -3.660 8.001
115 HH21 ARG 20 1HH2 ARG 20 3.255 -1.327 8.180
116 HH22 ARG 20 2HH2 ARG 20 2.639 -2.825 8.790
117 H GLY 21 H GLY 21 -2.768 -2.774 3.655
118 HA2 GLY 21 1HA GLY 21 -4.720 -2.320 1.485
119 HA3 GLY 21 2HA GLY 21 -4.791 -3.748 2.507
120 H PHE 22 H PHE 22 -6.410 -1.087 1.984
121 HA PHE 22 HA PHE 22 -7.130 -0.759 4.814
122 HB2 PHE 22 1HB PHE 22 -6.872 1.491 2.807
123 HB3 PHE 22 2HB PHE 22 -7.445 1.654 4.464
124 HD1 PHE 22 HD2 PHE 22 -4.519 1.024 2.342
125 HD2 PHE 22 HD1 PHE 22 -5.925 1.666 6.308
126 HE1 PHE 22 HE2 PHE 22 -2.206 1.385 3.100
127 HE2 PHE 22 HE1 PHE 22 -3.614 2.029 7.072
128 HZ PHE 22 HZ PHE 22 -1.751 1.887 5.468
129 H THR 23 H THR 23 -9.230 -1.029 5.185
130 HA THR 23 HA THR 23 -11.039 -1.751 3.162
131 HB THR 23 HB THR 23 -11.658 -0.817 5.972
132 HG1 THR 23 HG1 THR 23 -11.899 -3.315 6.017
133 HG21 THR 23 3HG2 THR 23 -13.380 -2.702 4.436
134 HG22 THR 23 1HG2 THR 23 -13.500 -0.978 4.087
135 HG23 THR 23 2HG2 THR 23 -13.812 -1.571 5.718
136 H LEU 24 H LEU 24 -10.763 1.256 5.045
137 HA LEU 24 HA LEU 24 -12.718 2.534 3.291
138 HB2 LEU 24 1HB LEU 24 -11.375 3.447 5.828
139 HB3 LEU 24 2HB LEU 24 -12.487 4.443 4.891
140 HG LEU 24 HG LEU 24 -13.276 1.786 6.066
141 HD11 LEU 24 1HD1 LEU 24 -12.470 3.693 7.687
142 HD12 LEU 24 2HD1 LEU 24 -13.920 2.753 8.035
143 HD13 LEU 24 3HD1 LEU 24 -14.062 4.363 7.329
144 HD21 LEU 24 3HD2 LEU 24 -15.268 2.167 5.150
145 HD22 LEU 24 1HD2 LEU 24 -14.503 3.458 4.223
146 HD23 LEU 24 2HD2 LEU 24 -15.305 3.826 5.750
147 H LYS 25 H LYS 25 -12.106 3.698 1.602
148 HA LYS 25 HA LYS 25 -9.601 4.028 0.622
149 HB2 LYS 25 1HB LYS 25 -11.627 4.612 -0.627
150 HB3 LYS 25 2HB LYS 25 -11.863 6.023 0.396
151 HG2 LYS 25 1HG LYS 25 -10.911 6.886 -1.538
152 HG3 LYS 25 2HG LYS 25 -9.550 6.763 -0.421
153 HD2 LYS 25 1HD LYS 25 -8.688 4.871 -1.505
154 HD3 LYS 25 2HD LYS 25 -10.205 4.557 -2.350
155 HE2 LYS 25 1HE LYS 25 -8.677 5.453 -3.941
156 HE3 LYS 25 2HE LYS 25 -9.859 6.710 -3.582
157 HZ1 LYS 25 3HZ LYS 25 -7.015 6.590 -2.919
158 HZ2 LYS 25 1HZ LYS 25 -8.042 7.352 -1.811
159 HZ3 LYS 25 2HZ LYS 25 -7.957 7.908 -3.406
160 H SER 26 H SER 26 -11.283 6.352 2.727
161 HA SER 26 HA SER 26 -9.426 8.358 2.866
162 HB2 SER 26 1HB SER 26 -10.269 8.767 5.194
163 HB3 SER 26 2HB SER 26 -11.548 8.569 3.996
164 HG SER 26 HG SER 26 -12.217 6.878 5.039
165 H HIS 27 H HIS 27 -9.563 5.545 5.056
166 HA HIS 27 HA HIS 27 -7.410 5.951 6.637
167 HB2 HIS 27 1HB HIS 27 -8.462 3.438 5.377
168 HB3 HIS 27 2HB HIS 27 -7.033 3.382 6.405
169 HD1 HIS 27 HD1 HIS 27 -9.775 2.020 7.116
170 HD2 HIS 27 HD2 HIS 27 -8.464 5.699 8.532
171 HE1 HIS 27 HE1 HIS 27 -11.029 2.400 9.262
172 H LEU 28 H LEU 28 -7.148 4.130 3.577
173 HA LEU 28 HA LEU 28 -4.433 3.884 3.422
174 HB2 LEU 28 1HB LEU 28 -5.757 2.815 1.791
175 HB3 LEU 28 2HB LEU 28 -6.475 4.336 1.266
176 HG LEU 28 HG LEU 28 -4.248 4.989 0.349
177 HD11 LEU 28 1HD1 LEU 28 -2.412 3.733 0.568
178 HD12 LEU 28 2HD1 LEU 28 -3.288 2.231 0.272
179 HD13 LEU 28 3HD1 LEU 28 -3.282 2.945 1.884
180 HD21 LEU 28 3HD2 LEU 28 -6.207 3.373 -0.727
181 HD22 LEU 28 1HD2 LEU 28 -4.715 2.503 -1.083
182 HD23 LEU 28 2HD2 LEU 28 -4.911 4.173 -1.618
183 H ASN 29 H ASN 29 -6.296 6.558 1.965
184 HA ASN 29 HA ASN 29 -4.310 8.113 0.970
185 HB2 ASN 29 1HB ASN 29 -6.929 8.743 2.242
186 HB3 ASN 29 2HB ASN 29 -5.827 10.083 1.936
187 HD21 ASN 29 1HD2 ASN 29 -8.433 8.858 0.733
188 HD22 ASN 29 2HD2 ASN 29 -8.149 8.984 -0.967
189 H GLN 30 H GLN 30 -5.541 8.435 4.305
190 HA GLN 30 HA GLN 30 -3.635 10.258 5.197
191 HB2 GLN 30 1HB GLN 30 -5.777 9.490 6.357
192 HB3 GLN 30 2HB GLN 30 -4.843 8.119 6.942
193 HG2 GLN 30 1HG GLN 30 -3.445 9.481 8.238
194 HG3 GLN 30 2HG GLN 30 -3.961 10.946 7.404
195 HE21 GLN 30 1HE2 GLN 30 -5.337 8.279 9.297
196 HE22 GLN 30 2HE2 GLN 30 -6.430 9.261 10.206
197 H HIS 31 H HIS 31 -3.504 6.759 4.955
198 HA HIS 31 HA HIS 31 -1.156 6.379 6.485
199 HB2 HIS 31 1HB HIS 31 -2.222 4.374 6.192
200 HB3 HIS 31 2HB HIS 31 -2.736 4.764 4.553
201 HD1 HIS 31 HD1 HIS 31 0.113 3.301 6.484
202 HD2 HIS 31 HD2 HIS 31 -0.952 4.020 2.533
203 HE1 HIS 31 HE1 HIS 31 1.773 2.019 5.095
204 H GLN 32 H GLN 32 -1.635 6.491 2.953
205 HA GLN 32 HA GLN 32 0.888 6.189 2.030
206 HB2 GLN 32 1HB GLN 32 -1.358 7.945 1.131
207 HB3 GLN 32 2HB GLN 32 0.201 8.080 0.329
208 HG2 GLN 32 1HG GLN 32 0.117 5.872 -0.451
209 HG3 GLN 32 2HG GLN 32 -1.186 5.443 0.657
210 HE21 GLN 32 1HE2 GLN 32 -2.175 4.620 -1.321
211 HE22 GLN 32 2HE2 GLN 32 -3.077 5.707 -2.315
212 H ARG 33 H ARG 33 -0.294 8.834 3.914
213 HA ARG 33 HA ARG 33 1.506 10.852 3.301
214 HB2 ARG 33 1HB ARG 33 0.297 10.131 5.976
215 HB3 ARG 33 2HB ARG 33 1.132 11.641 5.637
216 HG2 ARG 33 1HG ARG 33 -0.555 12.105 3.869
217 HG3 ARG 33 2HG ARG 33 -1.427 10.663 4.394
218 HD2 ARG 33 1HD ARG 33 -2.519 12.261 5.614
219 HD3 ARG 33 2HD ARG 33 -1.246 11.819 6.751
220 HE ARG 33 HE ARG 33 -0.220 13.886 5.257
221 HH11 ARG 33 1HH1 ARG 33 -2.973 13.401 7.332
222 HH12 ARG 33 2HH1 ARG 33 -3.038 15.053 7.850
223 HH21 ARG 33 1HH2 ARG 33 -0.295 16.064 5.932
224 HH22 ARG 33 2HH2 ARG 33 -1.515 16.567 7.053
225 H ILE 34 H ILE 34 1.867 8.142 5.555
226 HA ILE 34 HA ILE 34 4.213 8.747 6.809
227 HB ILE 34 HB ILE 34 4.609 6.418 7.126
228 HG12 ILE 34 1HG1 ILE 34 2.672 5.850 4.875
229 HG13 ILE 34 2HG1 ILE 34 4.422 5.824 4.692
230 HG21 ILE 34 1HG2 ILE 34 1.897 5.785 7.153
231 HG22 ILE 34 2HG2 ILE 34 2.837 6.493 8.465
232 HG23 ILE 34 3HG2 ILE 34 1.959 7.536 7.347
233 HD11 ILE 34 3HD1 ILE 34 2.621 3.844 5.847
234 HD12 ILE 34 1HD1 ILE 34 4.227 3.652 5.145
235 HD13 ILE 34 2HD1 ILE 34 4.054 4.168 6.822
236 H HIS 35 H HIS 35 3.764 7.845 3.475
237 HA HIS 35 HA HIS 35 6.592 7.440 3.002
238 HB2 HIS 35 1HB HIS 35 4.364 7.654 0.970
239 HB3 HIS 35 2HB HIS 35 5.969 6.976 0.716
240 HD1 HIS 35 HD1 HIS 35 6.362 4.926 2.736
241 HD2 HIS 35 HD2 HIS 35 2.590 5.640 1.147
242 HE1 HIS 35 HE1 HIS 35 5.050 2.820 3.145
243 H THR 36 H THR 36 4.176 9.935 2.508
244 HA THR 36 HA THR 36 6.133 11.641 1.157
245 HB THR 36 HB THR 36 3.802 11.439 0.247
246 HG1 THR 36 HG1 THR 36 4.152 14.118 1.013
247 HG21 THR 36 3HG2 THR 36 2.038 11.714 1.577
248 HG22 THR 36 1HG2 THR 36 2.556 13.359 1.947
249 HG23 THR 36 2HG2 THR 36 3.118 12.013 2.939
250 H GLY 37 H GLY 37 5.928 14.055 1.821
251 HA2 GLY 37 1HA GLY 37 5.348 15.453 3.829
252 HA3 GLY 37 2HA GLY 37 6.081 14.163 4.770
253 H GLU 38 H GLU 38 8.388 13.736 4.406
254 HA GLU 38 HA GLU 38 9.813 16.201 3.643
255 HB2 GLU 38 1HB GLU 38 10.519 14.173 5.770
256 HB3 GLU 38 2HB GLU 38 11.553 15.510 5.286
257 HG2 GLU 38 1HG GLU 38 10.112 17.108 6.186
258 HG3 GLU 38 2HG GLU 38 8.762 15.978 6.265
259 H LYS 39 H LYS 39 10.326 15.673 1.555
260 HA LYS 39 HA LYS 39 10.986 13.370 0.354
261 HB2 LYS 39 1HB LYS 39 12.636 14.671 -1.042
262 HB3 LYS 39 2HB LYS 39 11.029 15.378 -0.923
263 HG2 LYS 39 1HG LYS 39 12.264 17.242 -0.570
264 HG3 LYS 39 2HG LYS 39 12.157 16.671 1.097
265 HD2 LYS 39 1HD LYS 39 14.338 15.404 0.577
266 HD3 LYS 39 2HD LYS 39 14.459 16.478 -0.819
267 HE2 LYS 39 1HE LYS 39 15.711 17.438 0.983
268 HE3 LYS 39 2HE LYS 39 14.263 18.413 0.733
269 HZ1 LYS 39 3HZ LYS 39 14.520 16.306 2.809
270 HZ2 LYS 39 1HZ LYS 39 13.233 17.388 2.615
271 HZ3 LYS 39 2HZ LYS 39 14.752 17.958 3.093
272 HA PRO 40 HA PRO 40 14.486 11.576 2.325
273 HB2 PRO 40 1HB PRO 40 15.435 10.075 0.272
274 HB3 PRO 40 2HB PRO 40 13.971 9.658 1.170
275 HG2 PRO 40 1HG PRO 40 14.244 11.025 -1.479
276 HG3 PRO 40 2HG PRO 40 13.110 9.753 -0.988
277 HD2 PRO 40 1HD PRO 40 12.404 12.364 -1.116
278 HD3 PRO 40 2HD PRO 40 11.701 11.241 0.066
279 H SER 41 H SER 41 16.898 10.970 1.514
280 HA SER 41 HA SER 41 18.976 11.760 1.030
281 HB2 SER 41 1HB SER 41 17.534 13.575 -0.918
282 HB3 SER 41 2HB SER 41 19.258 13.205 -0.921
283 HG SER 41 HG SER 41 17.951 11.946 -2.411
284 H GLY 42 H GLY 42 17.817 12.777 3.287
285 HA2 GLY 42 1HA GLY 42 19.368 14.843 4.080
286 HA3 GLY 42 2HA GLY 42 18.021 15.662 3.304
287 HA PRO 43 HA PRO 43 16.041 13.295 7.011
288 HB2 PRO 43 1HB PRO 43 17.711 11.916 8.647
289 HB3 PRO 43 2HB PRO 43 16.951 11.196 7.222
290 HG2 PRO 43 1HG PRO 43 19.720 12.286 7.544
291 HG3 PRO 43 2HG PRO 43 19.189 10.804 6.729
292 HD2 PRO 43 1HD PRO 43 19.793 13.072 5.379
293 HD3 PRO 43 2HD PRO 43 18.553 11.930 4.821
294 H SER 44 H SER 44 19.168 14.807 7.311
295 HA SER 44 HA SER 44 20.091 16.167 8.914
296 HB2 SER 44 1HB SER 44 18.778 18.144 9.340
297 HB3 SER 44 2HB SER 44 18.435 17.609 7.695
298 HG SER 44 HG SER 44 16.742 16.425 9.404
299 H SER 45 H SER 45 19.373 13.745 10.048
300 HA SER 45 HA SER 45 18.168 14.483 12.627
301 HB2 SER 45 1HB SER 45 18.302 11.946 11.065
302 HB3 SER 45 2HB SER 45 18.283 11.826 12.824
303 HG SER 45 HG SER 45 16.365 13.122 12.776
304 H GLY 46 H GLY 46 19.337 14.454 14.456
305 HA2 GLY 46 1HA GLY 46 22.146 13.576 14.232
306 HA3 GLY 46 2HA GLY 46 21.577 14.845 15.307
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.996 -18.648 -4.895
2 HA2 GLY 1 1HA GLY 1 2.719 -18.770 -2.258
3 HA3 GLY 1 2HA GLY 1 4.201 -17.831 -2.367
4 H SER 2 H SER 2 4.126 -15.705 -3.042
5 HA SER 2 HA SER 2 1.516 -14.457 -2.824
6 HB2 SER 2 1HB SER 2 4.238 -13.175 -3.165
7 HB3 SER 2 2HB SER 2 2.744 -12.352 -2.716
8 HG SER 2 HG SER 2 4.283 -14.178 -1.218
9 H SER 3 H SER 3 1.744 -15.990 -5.129
10 HA SER 3 HA SER 3 2.339 -14.206 -7.340
11 HB2 SER 3 1HB SER 3 1.774 -16.136 -8.762
12 HB3 SER 3 2HB SER 3 2.948 -16.578 -7.522
13 HG SER 3 HG SER 3 0.766 -17.095 -6.354
14 H GLY 4 H GLY 4 0.661 -14.203 -9.183
15 HA2 GLY 4 1HA GLY 4 -1.573 -14.003 -9.895
16 HA3 GLY 4 2HA GLY 4 -2.096 -14.160 -8.225
17 H SER 5 H SER 5 -2.553 -12.146 -10.493
18 HA SER 5 HA SER 5 -1.435 -9.682 -9.641
19 HB2 SER 5 1HB SER 5 -3.762 -10.386 -11.426
20 HB3 SER 5 2HB SER 5 -3.336 -8.712 -11.067
21 HG SER 5 HG SER 5 -1.313 -10.436 -11.932
22 H SER 6 H SER 6 -4.754 -10.958 -9.347
23 HA SER 6 HA SER 6 -5.024 -9.454 -6.839
24 HB2 SER 6 1HB SER 6 -6.123 -8.218 -8.732
25 HB3 SER 6 2HB SER 6 -7.198 -9.600 -8.939
26 HG SER 6 HG SER 6 -7.917 -9.264 -6.796
27 H GLY 7 H GLY 7 -4.643 -11.507 -5.833
28 HA2 GLY 7 1HA GLY 7 -7.107 -13.057 -5.590
29 HA3 GLY 7 2HA GLY 7 -5.668 -13.929 -6.097
30 H SER 8 H SER 8 -3.685 -13.056 -4.583
31 HA SER 8 HA SER 8 -4.162 -14.261 -2.080
32 HB2 SER 8 1HB SER 8 -1.888 -13.665 -1.536
33 HB3 SER 8 2HB SER 8 -1.939 -14.137 -3.235
34 HG SER 8 HG SER 8 -2.009 -11.899 -3.756
35 H SER 9 H SER 9 -3.854 -10.870 -3.055
36 HA SER 9 HA SER 9 -5.101 -10.109 -0.501
37 HB2 SER 9 1HB SER 9 -3.676 -8.086 -0.446
38 HB3 SER 9 2HB SER 9 -2.723 -9.567 -0.350
39 HG SER 9 HG SER 9 -2.857 -9.107 -2.874
40 H THR 10 H THR 10 -7.110 -9.920 -1.507
41 HA THR 10 HA THR 10 -7.370 -8.033 -3.722
42 HB THR 10 HB THR 10 -9.464 -9.779 -2.412
43 HG1 THR 10 HG1 THR 10 -9.197 -10.745 -4.676
44 HG21 THR 10 3HG2 THR 10 -9.609 -7.632 -4.395
45 HG22 THR 10 1HG2 THR 10 -10.885 -8.362 -3.422
46 HG23 THR 10 2HG2 THR 10 -10.366 -9.136 -4.918
47 H LYS 11 H LYS 11 -6.909 -6.106 -2.573
48 HA LYS 11 HA LYS 11 -8.976 -5.298 -0.637
49 HB2 LYS 11 1HB LYS 11 -6.385 -5.317 -0.110
50 HB3 LYS 11 2HB LYS 11 -6.425 -3.777 -0.960
51 HG2 LYS 11 1HG LYS 11 -6.687 -3.171 1.258
52 HG3 LYS 11 2HG LYS 11 -8.343 -3.181 0.647
53 HD2 LYS 11 1HD LYS 11 -8.269 -5.685 1.473
54 HD3 LYS 11 2HD LYS 11 -6.991 -5.063 2.520
55 HE2 LYS 11 1HE LYS 11 -9.010 -4.891 3.746
56 HE3 LYS 11 2HE LYS 11 -8.601 -3.258 3.223
57 HZ1 LYS 11 3HZ LYS 11 -10.620 -5.056 1.995
58 HZ2 LYS 11 1HZ LYS 11 -10.166 -3.554 1.361
59 HZ3 LYS 11 2HZ LYS 11 -10.923 -3.640 2.871
60 H SER 12 H SER 12 -10.088 -3.398 -0.924
61 HA SER 12 HA SER 12 -10.383 -2.466 -3.590
62 HB2 SER 12 1HB SER 12 -11.570 -1.774 -0.942
63 HB3 SER 12 2HB SER 12 -11.738 -0.606 -2.253
64 HG SER 12 HG SER 12 -13.464 -1.921 -2.468
65 H HIS 13 H HIS 13 -9.028 -0.987 -0.656
66 HA HIS 13 HA HIS 13 -7.761 1.051 -2.365
67 HB2 HIS 13 1HB HIS 13 -8.133 1.319 0.609
68 HB3 HIS 13 2HB HIS 13 -7.849 2.587 -0.580
69 HD1 HIS 13 HD1 HIS 13 -9.974 2.687 -2.436
70 HD2 HIS 13 HD2 HIS 13 -10.709 1.245 1.391
71 HE1 HIS 13 HE1 HIS 13 -12.459 2.890 -2.107
72 H GLN 14 H GLN 14 -5.874 -0.009 -2.871
73 HA GLN 14 HA GLN 14 -4.178 -0.853 -0.621
74 HB2 GLN 14 1HB GLN 14 -4.594 -2.641 -2.197
75 HB3 GLN 14 2HB GLN 14 -4.094 -1.623 -3.541
76 HG2 GLN 14 1HG GLN 14 -1.822 -1.548 -2.626
77 HG3 GLN 14 2HG GLN 14 -2.331 -2.602 -1.307
78 HE21 GLN 14 1HE2 GLN 14 -1.773 -4.627 -1.581
79 HE22 GLN 14 2HE2 GLN 14 -1.637 -5.459 -3.089
80 H CYS 15 H CYS 15 -2.123 -0.054 -0.383
81 HA CYS 15 HA CYS 15 -1.612 2.518 -1.525
82 HB2 CYS 15 1HB CYS 15 -0.986 1.787 0.816
83 HB3 CYS 15 2HB CYS 15 0.305 0.835 0.091
84 H HIS 16 H HIS 16 0.480 3.077 -2.552
85 HA HIS 16 HA HIS 16 1.264 0.982 -4.466
86 HB2 HIS 16 1HB HIS 16 0.158 3.209 -5.233
87 HB3 HIS 16 2HB HIS 16 1.741 3.913 -4.914
88 HD1 HIS 16 HD1 HIS 16 3.693 2.076 -6.107
89 HD2 HIS 16 HD2 HIS 16 -0.007 2.737 -7.878
90 HE1 HIS 16 HE1 HIS 16 3.981 1.443 -8.524
91 H GLU 17 H GLU 17 2.389 3.219 -2.072
92 HA GLU 17 HA GLU 17 5.150 3.139 -2.777
93 HB2 GLU 17 1HB GLU 17 4.042 3.733 -0.037
94 HB3 GLU 17 2HB GLU 17 5.551 4.300 -0.739
95 HG2 GLU 17 1HG GLU 17 2.798 5.077 -1.675
96 HG3 GLU 17 2HG GLU 17 3.839 6.050 -0.637
97 H CYS 18 H CYS 18 3.175 1.432 -0.373
98 HA CYS 18 HA CYS 18 5.402 -0.463 -0.005
99 HB2 CYS 18 1HB CYS 18 4.388 -0.983 2.199
100 HB3 CYS 18 2HB CYS 18 4.889 0.699 2.062
101 H GLY 19 H GLY 19 1.888 -0.155 -0.323
102 HA2 GLY 19 1HA GLY 19 0.666 -1.649 -1.754
103 HA3 GLY 19 2HA GLY 19 1.842 -2.901 -1.384
104 H ARG 20 H ARG 20 0.402 -0.820 1.041
105 HA ARG 20 HA ARG 20 -0.506 -3.104 2.524
106 HB2 ARG 20 1HB ARG 20 -0.380 -0.166 2.965
107 HB3 ARG 20 2HB ARG 20 -1.562 -1.070 3.902
108 HG2 ARG 20 1HG ARG 20 0.557 -2.620 4.333
109 HG3 ARG 20 2HG ARG 20 1.391 -1.092 4.039
110 HD2 ARG 20 1HD ARG 20 0.288 -0.030 5.830
111 HD3 ARG 20 2HD ARG 20 -0.908 -1.320 5.960
112 HE ARG 20 HE ARG 20 0.610 -2.583 7.163
113 HH11 ARG 20 1HH1 ARG 20 2.138 0.279 5.901
114 HH12 ARG 20 2HH1 ARG 20 3.563 0.103 6.870
115 HH21 ARG 20 1HH2 ARG 20 2.482 -2.825 8.444
116 HH22 ARG 20 2HH2 ARG 20 3.758 -1.663 8.315
117 H GLY 21 H GLY 21 -2.778 -3.052 3.488
118 HA2 GLY 21 1HA GLY 21 -4.709 -2.342 1.365
119 HA3 GLY 21 2HA GLY 21 -4.809 -3.842 2.276
120 H PHE 22 H PHE 22 -6.470 -1.223 1.933
121 HA PHE 22 HA PHE 22 -7.164 -1.045 4.781
122 HB2 PHE 22 1HB PHE 22 -6.950 1.308 2.891
123 HB3 PHE 22 2HB PHE 22 -7.535 1.380 4.550
124 HD1 PHE 22 HD2 PHE 22 -4.595 0.993 2.409
125 HD2 PHE 22 HD1 PHE 22 -6.015 1.243 6.414
126 HE1 PHE 22 HE2 PHE 22 -2.294 1.358 3.199
127 HE2 PHE 22 HE1 PHE 22 -3.716 1.609 7.210
128 HZ PHE 22 HZ PHE 22 -1.851 1.666 5.602
129 H THR 23 H THR 23 -9.318 -0.952 5.229
130 HA THR 23 HA THR 23 -11.128 -1.767 3.184
131 HB THR 23 HB THR 23 -11.748 -0.859 6.001
132 HG1 THR 23 HG1 THR 23 -11.962 -3.453 5.814
133 HG21 THR 23 3HG2 THR 23 -13.895 -1.527 5.704
134 HG22 THR 23 1HG2 THR 23 -13.454 -2.814 4.583
135 HG23 THR 23 2HG2 THR 23 -13.544 -1.146 4.018
136 H LEU 24 H LEU 24 -10.726 1.222 5.059
137 HA LEU 24 HA LEU 24 -12.734 2.546 3.401
138 HB2 LEU 24 1HB LEU 24 -11.368 3.198 5.976
139 HB3 LEU 24 2HB LEU 24 -12.106 4.488 5.028
140 HG LEU 24 HG LEU 24 -13.625 2.060 5.960
141 HD11 LEU 24 1HD1 LEU 24 -14.305 4.441 7.385
142 HD12 LEU 24 2HD1 LEU 24 -12.581 4.118 7.570
143 HD13 LEU 24 3HD1 LEU 24 -13.762 2.884 8.011
144 HD21 LEU 24 3HD2 LEU 24 -14.402 3.566 4.018
145 HD22 LEU 24 1HD2 LEU 24 -14.723 4.762 5.275
146 HD23 LEU 24 2HD2 LEU 24 -15.545 3.202 5.312
147 H LYS 25 H LYS 25 -12.255 3.961 1.837
148 HA LYS 25 HA LYS 25 -9.748 4.154 0.692
149 HB2 LYS 25 1HB LYS 25 -11.694 4.750 -0.574
150 HB3 LYS 25 2HB LYS 25 -12.101 6.040 0.550
151 HG2 LYS 25 1HG LYS 25 -11.197 7.102 -1.335
152 HG3 LYS 25 2HG LYS 25 -9.917 7.130 -0.119
153 HD2 LYS 25 1HD LYS 25 -8.816 6.480 -2.072
154 HD3 LYS 25 2HD LYS 25 -9.100 4.958 -1.225
155 HE2 LYS 25 1HE LYS 25 -9.710 4.516 -3.441
156 HE3 LYS 25 2HE LYS 25 -11.241 4.793 -2.611
157 HZ1 LYS 25 3HZ LYS 25 -10.075 6.236 -4.774
158 HZ2 LYS 25 1HZ LYS 25 -10.461 7.267 -3.489
159 HZ3 LYS 25 2HZ LYS 25 -11.657 6.289 -4.177
160 H SER 26 H SER 26 -11.274 6.288 3.060
161 HA SER 26 HA SER 26 -9.411 8.352 3.074
162 HB2 SER 26 1HB SER 26 -10.188 8.782 5.404
163 HB3 SER 26 2HB SER 26 -11.515 8.548 4.267
164 HG SER 26 HG SER 26 -11.797 7.371 6.225
165 H HIS 27 H HIS 27 -9.449 5.346 4.962
166 HA HIS 27 HA HIS 27 -7.280 5.731 6.597
167 HB2 HIS 27 1HB HIS 27 -8.278 3.247 5.214
168 HB3 HIS 27 2HB HIS 27 -6.925 3.203 6.340
169 HD1 HIS 27 HD1 HIS 27 -9.594 1.712 6.888
170 HD2 HIS 27 HD2 HIS 27 -8.645 5.487 8.341
171 HE1 HIS 27 HE1 HIS 27 -11.028 2.027 8.930
172 H LEU 28 H LEU 28 -7.092 4.020 3.469
173 HA LEU 28 HA LEU 28 -4.357 3.853 3.261
174 HB2 LEU 28 1HB LEU 28 -5.706 2.699 1.697
175 HB3 LEU 28 2HB LEU 28 -6.466 4.191 1.146
176 HG LEU 28 HG LEU 28 -4.292 4.868 0.152
177 HD11 LEU 28 1HD1 LEU 28 -3.050 3.225 1.748
178 HD12 LEU 28 2HD1 LEU 28 -2.429 3.517 0.124
179 HD13 LEU 28 3HD1 LEU 28 -3.352 2.053 0.464
180 HD21 LEU 28 3HD2 LEU 28 -5.619 4.045 -1.499
181 HD22 LEU 28 1HD2 LEU 28 -5.854 2.494 -0.693
182 HD23 LEU 28 2HD2 LEU 28 -4.347 2.823 -1.546
183 H ASN 29 H ASN 29 -6.383 6.412 1.817
184 HA ASN 29 HA ASN 29 -4.523 8.039 0.720
185 HB2 ASN 29 1HB ASN 29 -7.092 8.583 2.129
186 HB3 ASN 29 2HB ASN 29 -6.064 9.959 1.742
187 HD21 ASN 29 1HD2 ASN 29 -8.636 8.393 0.692
188 HD22 ASN 29 2HD2 ASN 29 -8.472 8.588 -1.016
189 H GLN 30 H GLN 30 -5.631 8.474 4.086
190 HA GLN 30 HA GLN 30 -3.670 10.315 4.822
191 HB2 GLN 30 1HB GLN 30 -5.664 9.958 6.163
192 HB3 GLN 30 2HB GLN 30 -5.160 8.313 6.527
193 HG2 GLN 30 1HG GLN 30 -3.186 9.219 7.702
194 HG3 GLN 30 2HG GLN 30 -3.797 10.847 7.409
195 HE21 GLN 30 1HE2 GLN 30 -5.145 11.700 8.842
196 HE22 GLN 30 2HE2 GLN 30 -5.920 10.842 10.125
197 H HIS 31 H HIS 31 -3.644 6.796 4.866
198 HA HIS 31 HA HIS 31 -1.308 6.406 6.359
199 HB2 HIS 31 1HB HIS 31 -2.408 4.419 6.055
200 HB3 HIS 31 2HB HIS 31 -2.863 4.800 4.397
201 HD1 HIS 31 HD1 HIS 31 -0.222 3.160 6.423
202 HD2 HIS 31 HD2 HIS 31 -0.908 4.158 2.449
203 HE1 HIS 31 HE1 HIS 31 1.489 1.875 5.103
204 H GLN 32 H GLN 32 -1.784 6.938 2.895
205 HA GLN 32 HA GLN 32 0.745 6.437 1.936
206 HB2 GLN 32 1HB GLN 32 -1.299 8.494 1.128
207 HB3 GLN 32 2HB GLN 32 0.215 8.298 0.256
208 HG2 GLN 32 1HG GLN 32 -0.407 5.879 -0.050
209 HG3 GLN 32 2HG GLN 32 -2.001 6.298 0.576
210 HE21 GLN 32 1HE2 GLN 32 -2.386 5.348 -1.680
211 HE22 GLN 32 2HE2 GLN 32 -2.500 6.495 -2.966
212 H ARG 33 H ARG 33 -0.214 8.857 4.132
213 HA ARG 33 HA ARG 33 1.658 10.878 3.586
214 HB2 ARG 33 1HB ARG 33 0.305 10.042 6.152
215 HB3 ARG 33 2HB ARG 33 1.340 11.459 6.031
216 HG2 ARG 33 1HG ARG 33 -0.145 12.512 4.499
217 HG3 ARG 33 2HG ARG 33 -1.101 11.038 4.326
218 HD2 ARG 33 1HD ARG 33 -1.518 11.234 6.841
219 HD3 ARG 33 2HD ARG 33 -0.898 12.877 6.691
220 HE ARG 33 HE ARG 33 -2.923 12.413 4.774
221 HH11 ARG 33 1HH1 ARG 33 -2.453 12.945 8.182
222 HH12 ARG 33 2HH1 ARG 33 -4.017 13.651 8.421
223 HH21 ARG 33 1HH2 ARG 33 -4.986 13.340 5.076
224 HH22 ARG 33 2HH2 ARG 33 -5.457 13.874 6.653
225 H ILE 34 H ILE 34 1.928 7.836 5.284
226 HA ILE 34 HA ILE 34 4.328 8.314 6.665
227 HB ILE 34 HB ILE 34 4.499 5.980 6.987
228 HG12 ILE 34 1HG1 ILE 34 2.569 5.559 4.698
229 HG13 ILE 34 2HG1 ILE 34 4.316 5.405 4.552
230 HG21 ILE 34 1HG2 ILE 34 1.881 7.241 7.104
231 HG22 ILE 34 2HG2 ILE 34 1.790 5.483 7.024
232 HG23 ILE 34 3HG2 ILE 34 2.720 6.259 8.305
233 HD11 ILE 34 3HD1 ILE 34 4.149 3.671 6.404
234 HD12 ILE 34 1HD1 ILE 34 2.413 3.688 6.101
235 HD13 ILE 34 2HD1 ILE 34 3.528 3.225 4.815
236 H HIS 35 H HIS 35 3.769 8.229 3.376
237 HA HIS 35 HA HIS 35 6.560 7.476 2.804
238 HB2 HIS 35 1HB HIS 35 4.239 7.493 0.867
239 HB3 HIS 35 2HB HIS 35 5.864 6.884 0.564
240 HD1 HIS 35 HD1 HIS 35 6.516 4.851 2.405
241 HD2 HIS 35 HD2 HIS 35 2.521 5.508 1.471
242 HE1 HIS 35 HE1 HIS 35 5.321 2.731 3.038
243 H THR 36 H THR 36 5.254 10.113 3.604
244 HA THR 36 HA THR 36 6.085 11.712 1.275
245 HB THR 36 HB THR 36 4.762 13.541 2.163
246 HG1 THR 36 HG1 THR 36 5.085 12.462 4.454
247 HG21 THR 36 3HG2 THR 36 3.467 10.873 1.822
248 HG22 THR 36 1HG2 THR 36 3.383 12.303 0.793
249 HG23 THR 36 2HG2 THR 36 2.476 12.250 2.305
250 H GLY 37 H GLY 37 6.850 10.894 4.515
251 HA2 GLY 37 1HA GLY 37 8.249 13.239 5.275
252 HA3 GLY 37 2HA GLY 37 8.449 11.644 5.985
253 H GLU 38 H GLU 38 9.758 10.081 4.654
254 HA GLU 38 HA GLU 38 12.327 11.012 4.279
255 HB2 GLU 38 1HB GLU 38 12.738 8.899 3.032
256 HB3 GLU 38 2HB GLU 38 11.895 8.658 4.556
257 HG2 GLU 38 1HG GLU 38 9.766 8.804 3.026
258 HG3 GLU 38 2HG GLU 38 10.912 8.337 1.771
259 H LYS 39 H LYS 39 12.759 12.693 2.974
260 HA LYS 39 HA LYS 39 11.800 12.572 0.193
261 HB2 LYS 39 1HB LYS 39 12.357 14.825 2.065
262 HB3 LYS 39 2HB LYS 39 12.640 15.090 0.349
263 HG2 LYS 39 1HG LYS 39 10.038 13.986 1.336
264 HG3 LYS 39 2HG LYS 39 10.357 15.722 1.323
265 HD2 LYS 39 1HD LYS 39 10.716 13.998 -1.116
266 HD3 LYS 39 2HD LYS 39 9.173 14.754 -0.712
267 HE2 LYS 39 1HE LYS 39 11.770 16.246 -1.057
268 HE3 LYS 39 2HE LYS 39 10.551 16.064 -2.317
269 HZ1 LYS 39 3HZ LYS 39 9.594 17.088 0.225
270 HZ2 LYS 39 1HZ LYS 39 9.204 17.562 -1.352
271 HZ3 LYS 39 2HZ LYS 39 10.629 18.117 -0.631
272 HA PRO 40 HA PRO 40 16.370 11.736 0.054
273 HB2 PRO 40 1HB PRO 40 16.182 9.701 -1.732
274 HB3 PRO 40 2HB PRO 40 16.035 9.464 0.013
275 HG2 PRO 40 1HG PRO 40 13.883 9.686 -2.056
276 HG3 PRO 40 2HG PRO 40 14.010 8.562 -0.690
277 HD2 PRO 40 1HD PRO 40 12.444 10.770 -0.619
278 HD3 PRO 40 2HD PRO 40 13.245 10.121 0.826
279 H SER 41 H SER 41 14.097 11.499 -2.689
280 HA SER 41 HA SER 41 15.336 13.688 -4.054
281 HB2 SER 41 1HB SER 41 16.241 12.520 -5.944
282 HB3 SER 41 2HB SER 41 16.922 11.774 -4.498
283 HG SER 41 HG SER 41 15.830 9.989 -4.885
284 H GLY 42 H GLY 42 14.396 13.843 -6.371
285 HA2 GLY 42 1HA GLY 42 11.575 13.862 -6.141
286 HA3 GLY 42 2HA GLY 42 12.490 14.189 -7.606
287 HA PRO 43 HA PRO 43 10.492 9.791 -7.418
288 HB2 PRO 43 1HB PRO 43 7.934 10.279 -8.186
289 HB3 PRO 43 2HB PRO 43 8.432 10.215 -6.492
290 HG2 PRO 43 1HG PRO 43 7.988 12.599 -8.247
291 HG3 PRO 43 2HG PRO 43 7.502 12.346 -6.561
292 HD2 PRO 43 1HD PRO 43 9.678 13.804 -7.246
293 HD3 PRO 43 2HD PRO 43 9.599 12.854 -5.748
294 H SER 44 H SER 44 11.625 9.243 -9.230
295 HA SER 44 HA SER 44 11.226 10.528 -11.757
296 HB2 SER 44 1HB SER 44 12.688 7.977 -11.036
297 HB3 SER 44 2HB SER 44 12.735 8.748 -12.621
298 HG SER 44 HG SER 44 13.598 10.617 -11.546
299 H SER 45 H SER 45 10.492 9.458 -13.703
300 HA SER 45 HA SER 45 8.969 8.304 -14.937
301 HB2 SER 45 1HB SER 45 9.192 6.317 -12.664
302 HB3 SER 45 2HB SER 45 8.368 6.005 -14.192
303 HG SER 45 HG SER 45 10.952 6.951 -14.417
304 H GLY 46 H GLY 46 8.006 10.358 -13.335
305 HA2 GLY 46 1HA GLY 46 5.550 10.789 -13.406
306 HA3 GLY 46 2HA GLY 46 5.379 9.299 -12.491
Start of MODEL 9
1 H1 GLY 1 H GLY 1 6.248 -19.943 2.284
2 HA2 GLY 1 1HA GLY 1 4.150 -21.162 2.057
3 HA3 GLY 1 2HA GLY 1 5.082 -22.531 1.469
4 H SER 2 H SER 2 5.557 -20.428 4.296
5 HA SER 2 HA SER 2 5.824 -22.818 5.953
6 HB2 SER 2 1HB SER 2 7.512 -20.912 6.000
7 HB3 SER 2 2HB SER 2 6.271 -19.956 6.811
8 HG SER 2 HG SER 2 7.574 -20.945 8.351
9 H SER 3 H SER 3 4.650 -23.132 7.869
10 HA SER 3 HA SER 3 1.929 -22.643 7.764
11 HB2 SER 3 1HB SER 3 1.856 -23.376 10.112
12 HB3 SER 3 2HB SER 3 2.931 -24.400 9.161
13 HG SER 3 HG SER 3 3.489 -22.848 11.309
14 H GLY 4 H GLY 4 1.192 -20.598 7.536
15 HA2 GLY 4 1HA GLY 4 1.815 -18.726 9.733
16 HA3 GLY 4 2HA GLY 4 1.764 -18.187 8.061
17 H SER 5 H SER 5 0.194 -17.138 10.191
18 HA SER 5 HA SER 5 -2.441 -18.217 10.123
19 HB2 SER 5 1HB SER 5 -3.083 -16.115 11.269
20 HB3 SER 5 2HB SER 5 -1.686 -16.882 12.022
21 HG SER 5 HG SER 5 -1.269 -14.695 11.785
22 H SER 6 H SER 6 -0.862 -15.493 8.495
23 HA SER 6 HA SER 6 -2.885 -14.227 7.239
24 HB2 SER 6 1HB SER 6 -1.368 -13.610 5.500
25 HB3 SER 6 2HB SER 6 -0.399 -13.807 6.961
26 HG SER 6 HG SER 6 -0.218 -16.107 6.046
27 H GLY 7 H GLY 7 -4.275 -14.539 5.555
28 HA2 GLY 7 1HA GLY 7 -4.317 -17.262 4.410
29 HA3 GLY 7 2HA GLY 7 -5.760 -16.317 4.745
30 H SER 8 H SER 8 -6.605 -16.220 2.717
31 HA SER 8 HA SER 8 -5.007 -14.752 0.726
32 HB2 SER 8 1HB SER 8 -5.124 -17.084 0.025
33 HB3 SER 8 2HB SER 8 -6.878 -17.076 0.206
34 HG SER 8 HG SER 8 -5.348 -15.553 -1.638
35 H SER 9 H SER 9 -5.908 -12.783 0.761
36 HA SER 9 HA SER 9 -8.703 -12.546 -0.004
37 HB2 SER 9 1HB SER 9 -9.392 -11.199 1.805
38 HB3 SER 9 2HB SER 9 -8.503 -12.520 2.563
39 HG SER 9 HG SER 9 -7.700 -9.847 2.154
40 H THR 10 H THR 10 -9.258 -10.173 -0.387
41 HA THR 10 HA THR 10 -6.896 -8.704 -1.353
42 HB THR 10 HB THR 10 -8.017 -9.779 -3.265
43 HG1 THR 10 HG1 THR 10 -8.659 -7.047 -3.484
44 HG21 THR 10 3HG2 THR 10 -10.242 -10.006 -3.136
45 HG22 THR 10 1HG2 THR 10 -10.329 -8.324 -3.658
46 HG23 THR 10 2HG2 THR 10 -10.386 -8.718 -1.940
47 H LYS 11 H LYS 11 -7.111 -6.420 -1.451
48 HA LYS 11 HA LYS 11 -9.226 -5.379 0.313
49 HB2 LYS 11 1HB LYS 11 -6.617 -5.219 0.807
50 HB3 LYS 11 2HB LYS 11 -6.752 -3.811 -0.238
51 HG2 LYS 11 1HG LYS 11 -7.173 -2.767 1.708
52 HG3 LYS 11 2HG LYS 11 -8.815 -3.342 1.410
53 HD2 LYS 11 1HD LYS 11 -6.980 -5.187 2.826
54 HD3 LYS 11 2HD LYS 11 -7.526 -3.762 3.714
55 HE2 LYS 11 1HE LYS 11 -9.440 -5.566 2.262
56 HE3 LYS 11 2HE LYS 11 -8.923 -5.895 3.915
57 HZ1 LYS 11 3HZ LYS 11 -10.782 -4.662 4.298
58 HZ2 LYS 11 1HZ LYS 11 -10.617 -3.736 2.891
59 HZ3 LYS 11 2HZ LYS 11 -9.644 -3.412 4.236
60 H SER 12 H SER 12 -10.155 -3.329 -0.174
61 HA SER 12 HA SER 12 -10.698 -2.965 -2.943
62 HB2 SER 12 1HB SER 12 -11.353 -1.047 -0.699
63 HB3 SER 12 2HB SER 12 -12.169 -1.192 -2.256
64 HG SER 12 HG SER 12 -13.306 -2.785 -1.491
65 H HIS 13 H HIS 13 -9.117 -0.850 -0.546
66 HA HIS 13 HA HIS 13 -7.801 0.549 -2.777
67 HB2 HIS 13 1HB HIS 13 -8.092 1.583 0.043
68 HB3 HIS 13 2HB HIS 13 -7.650 2.490 -1.400
69 HD1 HIS 13 HD1 HIS 13 -9.653 2.698 -3.232
70 HD2 HIS 13 HD2 HIS 13 -10.742 1.642 0.636
71 HE1 HIS 13 HE1 HIS 13 -12.121 3.154 -3.081
72 H GLN 14 H GLN 14 -5.841 -0.286 -3.107
73 HA GLN 14 HA GLN 14 -4.199 -0.981 -0.766
74 HB2 GLN 14 1HB GLN 14 -4.559 -2.865 -2.242
75 HB3 GLN 14 2HB GLN 14 -4.030 -1.925 -3.631
76 HG2 GLN 14 1HG GLN 14 -1.811 -2.035 -3.034
77 HG3 GLN 14 2HG GLN 14 -2.174 -2.321 -1.333
78 HE21 GLN 14 1HE2 GLN 14 -0.335 -3.898 -2.286
79 HE22 GLN 14 2HE2 GLN 14 -0.928 -5.487 -2.617
80 H CYS 15 H CYS 15 -2.181 -0.120 -0.504
81 HA CYS 15 HA CYS 15 -1.655 2.373 -1.791
82 HB2 CYS 15 1HB CYS 15 -1.080 1.895 0.583
83 HB3 CYS 15 2HB CYS 15 0.153 0.769 0.027
84 H HIS 16 H HIS 16 0.473 2.891 -2.781
85 HA HIS 16 HA HIS 16 1.315 0.702 -4.560
86 HB2 HIS 16 1HB HIS 16 0.300 2.524 -5.788
87 HB3 HIS 16 2HB HIS 16 1.348 3.694 -4.993
88 HD1 HIS 16 HD1 HIS 16 1.443 0.937 -7.558
89 HD2 HIS 16 HD2 HIS 16 3.833 4.028 -6.144
90 HE1 HIS 16 HE1 HIS 16 3.372 1.084 -9.164
91 H GLU 17 H GLU 17 2.375 3.106 -2.289
92 HA GLU 17 HA GLU 17 5.142 3.029 -2.897
93 HB2 GLU 17 1HB GLU 17 3.937 3.647 -0.202
94 HB3 GLU 17 2HB GLU 17 5.473 4.208 -0.845
95 HG2 GLU 17 1HG GLU 17 2.750 4.975 -1.872
96 HG3 GLU 17 2HG GLU 17 3.795 5.969 -0.858
97 H CYS 18 H CYS 18 3.136 1.288 -0.550
98 HA CYS 18 HA CYS 18 5.381 -0.579 -0.144
99 HB2 CYS 18 1HB CYS 18 4.439 -1.031 2.102
100 HB3 CYS 18 2HB CYS 18 4.936 0.647 1.905
101 H GLY 19 H GLY 19 1.866 -0.241 -0.381
102 HA2 GLY 19 1HA GLY 19 0.596 -1.764 -1.740
103 HA3 GLY 19 2HA GLY 19 1.762 -3.020 -1.350
104 H ARG 20 H ARG 20 0.388 -0.832 1.022
105 HA ARG 20 HA ARG 20 -0.507 -3.044 2.615
106 HB2 ARG 20 1HB ARG 20 -0.361 -0.092 2.923
107 HB3 ARG 20 2HB ARG 20 -1.544 -0.941 3.909
108 HG2 ARG 20 1HG ARG 20 0.490 -2.487 4.478
109 HG3 ARG 20 2HG ARG 20 1.428 -1.081 3.970
110 HD2 ARG 20 1HD ARG 20 1.196 -0.580 6.179
111 HD3 ARG 20 2HD ARG 20 -0.280 0.166 5.567
112 HE ARG 20 HE ARG 20 -1.525 -1.487 6.601
113 HH11 ARG 20 1HH1 ARG 20 1.874 -2.213 6.806
114 HH12 ARG 20 2HH1 ARG 20 1.667 -3.473 7.977
115 HH21 ARG 20 1HH2 ARG 20 -1.810 -3.144 8.143
116 HH22 ARG 20 2HH2 ARG 20 -0.429 -4.002 8.736
117 H GLY 21 H GLY 21 -2.770 -2.910 3.624
118 HA2 GLY 21 1HA GLY 21 -4.729 -2.309 1.494
119 HA3 GLY 21 2HA GLY 21 -4.819 -3.762 2.478
120 H PHE 22 H PHE 22 -6.399 -1.064 2.032
121 HA PHE 22 HA PHE 22 -7.092 -0.790 4.875
122 HB2 PHE 22 1HB PHE 22 -6.886 1.500 2.909
123 HB3 PHE 22 2HB PHE 22 -7.379 1.622 4.595
124 HD1 PHE 22 HD2 PHE 22 -4.568 1.126 2.309
125 HD2 PHE 22 HD1 PHE 22 -5.764 1.495 6.377
126 HE1 PHE 22 HE2 PHE 22 -2.221 1.460 2.964
127 HE2 PHE 22 HE1 PHE 22 -3.418 1.831 7.039
128 HZ PHE 22 HZ PHE 22 -1.643 1.813 5.332
129 H THR 23 H THR 23 -9.188 -1.061 5.268
130 HA THR 23 HA THR 23 -11.034 -1.826 3.342
131 HB THR 23 HB THR 23 -11.655 -0.594 6.033
132 HG1 THR 23 HG1 THR 23 -10.361 -2.384 6.352
133 HG21 THR 23 3HG2 THR 23 -13.383 -2.677 4.856
134 HG22 THR 23 1HG2 THR 23 -13.437 -1.099 4.071
135 HG23 THR 23 2HG2 THR 23 -13.810 -1.244 5.789
136 H LEU 24 H LEU 24 -10.939 1.289 5.085
137 HA LEU 24 HA LEU 24 -12.765 2.456 3.156
138 HB2 LEU 24 1HB LEU 24 -11.487 3.439 5.688
139 HB3 LEU 24 2HB LEU 24 -12.372 4.523 4.616
140 HG LEU 24 HG LEU 24 -13.552 2.082 5.938
141 HD11 LEU 24 1HD1 LEU 24 -14.595 3.546 7.499
142 HD12 LEU 24 2HD1 LEU 24 -13.971 4.972 6.670
143 HD13 LEU 24 3HD1 LEU 24 -12.866 3.893 7.521
144 HD21 LEU 24 3HD2 LEU 24 -15.667 3.487 5.304
145 HD22 LEU 24 1HD2 LEU 24 -14.895 2.444 4.110
146 HD23 LEU 24 2HD2 LEU 24 -14.590 4.181 4.091
147 H LYS 25 H LYS 25 -12.294 4.219 1.824
148 HA LYS 25 HA LYS 25 -9.756 4.203 0.607
149 HB2 LYS 25 1HB LYS 25 -11.822 4.867 -0.561
150 HB3 LYS 25 2HB LYS 25 -11.923 6.307 0.444
151 HG2 LYS 25 1HG LYS 25 -11.014 7.053 -1.569
152 HG3 LYS 25 2HG LYS 25 -9.628 6.913 -0.484
153 HD2 LYS 25 1HD LYS 25 -9.262 4.608 -1.460
154 HD3 LYS 25 2HD LYS 25 -10.461 5.032 -2.684
155 HE2 LYS 25 1HE LYS 25 -9.110 6.687 -3.608
156 HE3 LYS 25 2HE LYS 25 -8.114 6.818 -2.159
157 HZ1 LYS 25 3HZ LYS 25 -8.066 4.720 -4.237
158 HZ2 LYS 25 1HZ LYS 25 -7.418 4.443 -2.699
159 HZ3 LYS 25 2HZ LYS 25 -6.791 5.677 -3.671
160 H SER 26 H SER 26 -11.258 6.459 2.890
161 HA SER 26 HA SER 26 -9.257 8.399 2.931
162 HB2 SER 26 1HB SER 26 -10.162 9.060 5.109
163 HB3 SER 26 2HB SER 26 -11.471 8.688 3.987
164 HG SER 26 HG SER 26 -10.431 6.829 5.858
165 H HIS 27 H HIS 27 -9.514 5.340 4.647
166 HA HIS 27 HA HIS 27 -7.494 5.638 6.521
167 HB2 HIS 27 1HB HIS 27 -8.525 3.240 5.026
168 HB3 HIS 27 2HB HIS 27 -7.215 3.090 6.192
169 HD1 HIS 27 HD1 HIS 27 -9.793 1.621 6.760
170 HD2 HIS 27 HD2 HIS 27 -9.061 5.499 8.058
171 HE1 HIS 27 HE1 HIS 27 -11.321 1.972 8.726
172 H LEU 28 H LEU 28 -7.203 4.240 3.253
173 HA LEU 28 HA LEU 28 -4.437 3.873 3.284
174 HB2 LEU 28 1HB LEU 28 -5.657 2.806 1.583
175 HB3 LEU 28 2HB LEU 28 -6.408 4.313 1.064
176 HG LEU 28 HG LEU 28 -4.188 5.056 0.217
177 HD11 LEU 28 1HD1 LEU 28 -3.390 2.217 0.841
178 HD12 LEU 28 2HD1 LEU 28 -2.774 3.669 1.630
179 HD13 LEU 28 3HD1 LEU 28 -2.433 3.381 -0.076
180 HD21 LEU 28 3HD2 LEU 28 -4.169 3.062 -1.571
181 HD22 LEU 28 1HD2 LEU 28 -5.389 4.336 -1.559
182 HD23 LEU 28 2HD2 LEU 28 -5.742 2.770 -0.828
183 H ASN 29 H ASN 29 -6.328 6.606 2.005
184 HA ASN 29 HA ASN 29 -4.311 8.187 1.029
185 HB2 ASN 29 1HB ASN 29 -6.786 8.663 0.950
186 HB3 ASN 29 2HB ASN 29 -6.660 9.252 2.605
187 HD21 ASN 29 1HD2 ASN 29 -7.462 10.692 0.239
188 HD22 ASN 29 2HD2 ASN 29 -6.357 12.009 0.063
189 H GLN 30 H GLN 30 -5.594 8.290 4.355
190 HA GLN 30 HA GLN 30 -3.765 10.150 5.357
191 HB2 GLN 30 1HB GLN 30 -5.570 8.108 6.545
192 HB3 GLN 30 2HB GLN 30 -4.303 8.759 7.576
193 HG2 GLN 30 1HG GLN 30 -5.972 10.223 8.045
194 HG3 GLN 30 2HG GLN 30 -5.222 11.056 6.684
195 HE21 GLN 30 1HE2 GLN 30 -8.059 9.739 7.930
196 HE22 GLN 30 2HE2 GLN 30 -9.040 9.867 6.514
197 H HIS 31 H HIS 31 -3.538 6.670 4.966
198 HA HIS 31 HA HIS 31 -1.244 6.238 6.538
199 HB2 HIS 31 1HB HIS 31 -2.237 4.240 6.011
200 HB3 HIS 31 2HB HIS 31 -2.658 4.755 4.381
201 HD1 HIS 31 HD1 HIS 31 0.174 3.303 6.373
202 HD2 HIS 31 HD2 HIS 31 -0.791 4.142 2.420
203 HE1 HIS 31 HE1 HIS 31 1.942 2.165 4.993
204 H GLN 32 H GLN 32 -1.589 6.800 3.040
205 HA GLN 32 HA GLN 32 0.999 6.608 2.207
206 HB2 GLN 32 1HB GLN 32 -1.164 8.535 1.387
207 HB3 GLN 32 2HB GLN 32 0.401 8.504 0.585
208 HG2 GLN 32 1HG GLN 32 0.042 6.413 -0.328
209 HG3 GLN 32 2HG GLN 32 -1.190 5.994 0.861
210 HE21 GLN 32 1HE2 GLN 32 -2.057 5.371 -1.413
211 HE22 GLN 32 2HE2 GLN 32 -3.097 6.545 -2.138
212 H ARG 33 H ARG 33 -0.363 9.029 4.271
213 HA ARG 33 HA ARG 33 1.338 11.168 3.975
214 HB2 ARG 33 1HB ARG 33 0.143 10.015 6.498
215 HB3 ARG 33 2HB ARG 33 0.964 11.569 6.434
216 HG2 ARG 33 1HG ARG 33 -0.691 12.493 5.022
217 HG3 ARG 33 2HG ARG 33 -1.406 10.910 4.711
218 HD2 ARG 33 1HD ARG 33 -2.868 11.716 6.277
219 HD3 ARG 33 2HD ARG 33 -1.707 10.898 7.323
220 HE ARG 33 HE ARG 33 -1.167 13.697 6.828
221 HH11 ARG 33 1HH1 ARG 33 -2.689 11.342 8.892
222 HH12 ARG 33 2HH1 ARG 33 -2.726 12.386 10.274
223 HH21 ARG 33 1HH2 ARG 33 -1.210 15.080 8.641
224 HH22 ARG 33 2HH2 ARG 33 -1.886 14.512 10.130
225 H ILE 34 H ILE 34 2.108 8.014 5.023
226 HA ILE 34 HA ILE 34 4.465 8.738 6.517
227 HB ILE 34 HB ILE 34 4.876 6.403 6.765
228 HG12 ILE 34 1HG1 ILE 34 2.754 5.935 4.659
229 HG13 ILE 34 2HG1 ILE 34 4.487 5.771 4.403
230 HG21 ILE 34 1HG2 ILE 34 2.154 7.437 7.135
231 HG22 ILE 34 2HG2 ILE 34 2.299 5.682 7.193
232 HG23 ILE 34 3HG2 ILE 34 3.250 6.682 8.291
233 HD11 ILE 34 3HD1 ILE 34 3.885 3.598 4.756
234 HD12 ILE 34 1HD1 ILE 34 4.310 4.088 6.396
235 HD13 ILE 34 2HD1 ILE 34 2.617 4.020 5.907
236 H HIS 35 H HIS 35 3.685 7.781 3.244
237 HA HIS 35 HA HIS 35 6.472 7.468 2.504
238 HB2 HIS 35 1HB HIS 35 4.047 7.482 0.700
239 HB3 HIS 35 2HB HIS 35 5.651 6.866 0.317
240 HD1 HIS 35 HD1 HIS 35 6.373 4.867 2.215
241 HD2 HIS 35 HD2 HIS 35 2.366 5.467 1.298
242 HE1 HIS 35 HE1 HIS 35 5.205 2.742 2.883
243 H THR 36 H THR 36 3.907 9.832 2.209
244 HA THR 36 HA THR 36 5.566 11.549 0.526
245 HB THR 36 HB THR 36 3.205 11.348 -0.082
246 HG1 THR 36 HG1 THR 36 3.106 13.432 -0.567
247 HG21 THR 36 3HG2 THR 36 2.636 12.624 2.596
248 HG22 THR 36 1HG2 THR 36 2.309 10.943 2.178
249 HG23 THR 36 2HG2 THR 36 1.449 12.242 1.350
250 H GLY 37 H GLY 37 4.016 11.545 3.716
251 HA2 GLY 37 1HA GLY 37 4.274 12.951 5.526
252 HA3 GLY 37 2HA GLY 37 5.979 12.811 5.126
253 H GLU 38 H GLU 38 5.812 15.030 6.182
254 HA GLU 38 HA GLU 38 4.869 17.099 4.350
255 HB2 GLU 38 1HB GLU 38 4.441 17.122 6.875
256 HB3 GLU 38 2HB GLU 38 6.140 17.542 7.045
257 HG2 GLU 38 1HG GLU 38 5.861 19.610 6.018
258 HG3 GLU 38 2HG GLU 38 4.327 19.143 5.284
259 H LYS 39 H LYS 39 6.418 16.906 2.705
260 HA LYS 39 HA LYS 39 8.943 18.226 3.322
261 HB2 LYS 39 1HB LYS 39 8.670 15.446 2.255
262 HB3 LYS 39 2HB LYS 39 9.999 16.447 1.684
263 HG2 LYS 39 1HG LYS 39 10.928 16.626 3.839
264 HG3 LYS 39 2HG LYS 39 9.465 15.999 4.604
265 HD2 LYS 39 1HD LYS 39 11.101 14.370 2.675
266 HD3 LYS 39 2HD LYS 39 11.438 14.402 4.408
267 HE2 LYS 39 1HE LYS 39 8.680 13.807 3.409
268 HE3 LYS 39 2HE LYS 39 9.909 12.544 3.434
269 HZ1 LYS 39 3HZ LYS 39 8.958 14.118 5.766
270 HZ2 LYS 39 1HZ LYS 39 10.212 12.984 5.815
271 HZ3 LYS 39 2HZ LYS 39 8.636 12.487 5.456
272 HA PRO 40 HA PRO 40 8.314 20.283 -0.502
273 HB2 PRO 40 1HB PRO 40 10.855 20.609 -1.400
274 HB3 PRO 40 2HB PRO 40 10.196 21.515 -0.034
275 HG2 PRO 40 1HG PRO 40 11.945 19.086 -0.028
276 HG3 PRO 40 2HG PRO 40 12.046 20.540 0.982
277 HD2 PRO 40 1HD PRO 40 10.952 18.226 1.866
278 HD3 PRO 40 2HD PRO 40 10.385 19.819 2.408
279 H SER 41 H SER 41 9.162 17.124 -0.389
280 HA SER 41 HA SER 41 10.224 16.410 -2.822
281 HB2 SER 41 1HB SER 41 8.228 15.065 -1.024
282 HB3 SER 41 2HB SER 41 8.689 14.324 -2.556
283 HG SER 41 HG SER 41 10.947 14.810 -1.654
284 H GLY 42 H GLY 42 6.742 16.686 -2.080
285 HA2 GLY 42 1HA GLY 42 5.751 16.211 -4.623
286 HA3 GLY 42 2HA GLY 42 4.957 17.220 -3.423
287 HA PRO 43 HA PRO 43 5.649 20.819 -5.817
288 HB2 PRO 43 1HB PRO 43 6.332 22.683 -3.965
289 HB3 PRO 43 2HB PRO 43 4.693 22.041 -4.123
290 HG2 PRO 43 1HG PRO 43 6.845 21.284 -2.185
291 HG3 PRO 43 2HG PRO 43 5.114 21.534 -1.893
292 HD2 PRO 43 1HD PRO 43 6.207 19.070 -2.153
293 HD3 PRO 43 2HD PRO 43 4.551 19.441 -2.676
294 H SER 44 H SER 44 7.291 21.132 -7.172
295 HA SER 44 HA SER 44 9.856 20.428 -7.047
296 HB2 SER 44 1HB SER 44 8.796 21.567 -8.991
297 HB3 SER 44 2HB SER 44 8.991 23.109 -8.158
298 HG SER 44 HG SER 44 10.690 22.563 -9.684
299 H SER 45 H SER 45 8.659 23.534 -5.797
300 HA SER 45 HA SER 45 10.998 23.625 -4.020
301 HB2 SER 45 1HB SER 45 9.947 25.858 -5.760
302 HB3 SER 45 2HB SER 45 10.988 26.149 -4.367
303 HG SER 45 HG SER 45 11.674 25.385 -6.834
304 H GLY 46 H GLY 46 10.620 24.373 -1.972
305 HA2 GLY 46 1HA GLY 46 8.420 25.912 -1.156
306 HA3 GLY 46 2HA GLY 46 8.004 24.216 -0.954
Start of MODEL 10
1 H1 GLY 1 H GLY 1 10.095 -24.215 -9.036
2 HA2 GLY 1 1HA GLY 1 10.222 -23.009 -6.510
3 HA3 GLY 1 2HA GLY 1 11.484 -22.301 -7.507
4 H SER 2 H SER 2 8.008 -22.837 -7.255
5 HA SER 2 HA SER 2 7.511 -20.836 -9.324
6 HB2 SER 2 1HB SER 2 5.734 -22.780 -7.854
7 HB3 SER 2 2HB SER 2 5.074 -21.491 -8.860
8 HG SER 2 HG SER 2 5.903 -23.843 -9.651
9 H SER 3 H SER 3 6.558 -21.468 -5.949
10 HA SER 3 HA SER 3 5.551 -20.054 -4.423
11 HB2 SER 3 1HB SER 3 7.111 -18.436 -3.609
12 HB3 SER 3 2HB SER 3 8.066 -19.774 -4.248
13 HG SER 3 HG SER 3 8.683 -17.537 -4.868
14 H GLY 4 H GLY 4 4.266 -19.732 -6.864
15 HA2 GLY 4 1HA GLY 4 3.956 -16.814 -7.129
16 HA3 GLY 4 2HA GLY 4 3.486 -17.995 -8.342
17 H SER 5 H SER 5 2.644 -16.549 -5.262
18 HA SER 5 HA SER 5 -0.139 -17.363 -5.721
19 HB2 SER 5 1HB SER 5 1.438 -17.657 -3.165
20 HB3 SER 5 2HB SER 5 -0.325 -17.611 -3.179
21 HG SER 5 HG SER 5 -0.302 -19.614 -3.776
22 H SER 6 H SER 6 -1.113 -15.488 -6.145
23 HA SER 6 HA SER 6 -0.288 -13.046 -4.808
24 HB2 SER 6 1HB SER 6 -0.873 -13.182 -7.278
25 HB3 SER 6 2HB SER 6 -2.555 -13.365 -6.780
26 HG SER 6 HG SER 6 -2.582 -11.277 -6.655
27 H GLY 7 H GLY 7 -2.216 -11.543 -4.173
28 HA2 GLY 7 1HA GLY 7 -4.282 -11.276 -3.067
29 HA3 GLY 7 2HA GLY 7 -4.375 -13.020 -2.869
30 H SER 8 H SER 8 -2.251 -10.334 -1.869
31 HA SER 8 HA SER 8 -2.430 -11.325 0.886
32 HB2 SER 8 1HB SER 8 0.039 -10.863 1.144
33 HB3 SER 8 2HB SER 8 -0.351 -12.249 0.126
34 HG SER 8 HG SER 8 0.848 -9.859 -0.527
35 H SER 9 H SER 9 -3.214 -9.722 2.066
36 HA SER 9 HA SER 9 -3.766 -7.627 2.782
37 HB2 SER 9 1HB SER 9 -1.931 -6.242 3.355
38 HB3 SER 9 2HB SER 9 -1.293 -7.885 3.400
39 HG SER 9 HG SER 9 0.043 -6.342 2.262
40 H THR 10 H THR 10 -4.598 -8.061 0.196
41 HA THR 10 HA THR 10 -4.113 -5.456 -1.098
42 HB THR 10 HB THR 10 -4.796 -6.553 -3.233
43 HG1 THR 10 HG1 THR 10 -5.716 -8.443 -2.987
44 HG21 THR 10 3HG2 THR 10 -2.353 -7.183 -1.703
45 HG22 THR 10 1HG2 THR 10 -2.535 -6.438 -3.290
46 HG23 THR 10 2HG2 THR 10 -2.651 -8.190 -3.120
47 H LYS 11 H LYS 11 -5.770 -4.162 -0.621
48 HA LYS 11 HA LYS 11 -8.496 -5.264 -0.834
49 HB2 LYS 11 1HB LYS 11 -7.543 -4.386 1.460
50 HB3 LYS 11 2HB LYS 11 -7.917 -2.809 0.775
51 HG2 LYS 11 1HG LYS 11 -10.201 -3.236 0.720
52 HG3 LYS 11 2HG LYS 11 -9.974 -4.983 0.837
53 HD2 LYS 11 1HD LYS 11 -9.156 -3.128 3.054
54 HD3 LYS 11 2HD LYS 11 -10.802 -3.750 2.923
55 HE2 LYS 11 1HE LYS 11 -10.129 -5.949 3.282
56 HE3 LYS 11 2HE LYS 11 -8.454 -5.608 2.850
57 HZ1 LYS 11 3HZ LYS 11 -7.998 -5.241 4.969
58 HZ2 LYS 11 1HZ LYS 11 -9.588 -5.638 5.390
59 HZ3 LYS 11 2HZ LYS 11 -9.177 -4.031 5.062
60 H SER 12 H SER 12 -10.151 -3.524 -1.330
61 HA SER 12 HA SER 12 -10.002 -2.536 -3.797
62 HB2 SER 12 1HB SER 12 -12.002 -2.307 -2.384
63 HB3 SER 12 2HB SER 12 -11.217 -1.015 -1.476
64 HG SER 12 HG SER 12 -12.102 -1.011 -4.156
65 H HIS 13 H HIS 13 -9.113 -0.517 -0.991
66 HA HIS 13 HA HIS 13 -7.598 1.231 -2.785
67 HB2 HIS 13 1HB HIS 13 -7.967 1.769 0.140
68 HB3 HIS 13 2HB HIS 13 -7.788 2.912 -1.187
69 HD1 HIS 13 HD1 HIS 13 -9.938 3.201 -2.750
70 HD2 HIS 13 HD2 HIS 13 -10.550 1.184 0.830
71 HE1 HIS 13 HE1 HIS 13 -12.427 3.207 -2.392
72 H GLN 14 H GLN 14 -5.860 -0.262 -3.104
73 HA GLN 14 HA GLN 14 -4.200 -0.829 -0.762
74 HB2 GLN 14 1HB GLN 14 -4.809 -2.611 -2.479
75 HB3 GLN 14 2HB GLN 14 -3.723 -1.778 -3.583
76 HG2 GLN 14 1HG GLN 14 -1.967 -2.046 -1.730
77 HG3 GLN 14 2HG GLN 14 -3.074 -3.241 -1.056
78 HE21 GLN 14 1HE2 GLN 14 -0.397 -3.611 -2.112
79 HE22 GLN 14 2HE2 GLN 14 -0.536 -4.751 -3.403
80 H CYS 15 H CYS 15 -2.184 -0.005 -0.472
81 HA CYS 15 HA CYS 15 -1.526 2.404 -1.858
82 HB2 CYS 15 1HB CYS 15 -1.055 1.943 0.576
83 HB3 CYS 15 2HB CYS 15 0.227 0.854 0.054
84 H HIS 16 H HIS 16 0.564 2.817 -2.886
85 HA HIS 16 HA HIS 16 1.467 0.479 -4.434
86 HB2 HIS 16 1HB HIS 16 0.331 2.427 -5.642
87 HB3 HIS 16 2HB HIS 16 1.782 3.357 -5.278
88 HD1 HIS 16 HD1 HIS 16 4.028 1.563 -5.973
89 HD2 HIS 16 HD2 HIS 16 0.533 1.659 -8.217
90 HE1 HIS 16 HE1 HIS 16 4.658 0.671 -8.239
91 H GLU 17 H GLU 17 2.404 2.945 -2.247
92 HA GLU 17 HA GLU 17 5.191 2.977 -2.873
93 HB2 GLU 17 1HB GLU 17 3.939 3.740 -0.238
94 HB3 GLU 17 2HB GLU 17 5.459 4.309 -0.912
95 HG2 GLU 17 1HG GLU 17 2.721 4.901 -2.013
96 HG3 GLU 17 2HG GLU 17 3.710 6.001 -1.053
97 H CYS 18 H CYS 18 3.145 1.143 -0.691
98 HA CYS 18 HA CYS 18 5.451 -0.577 -0.078
99 HB2 CYS 18 1HB CYS 18 4.517 -0.901 2.211
100 HB3 CYS 18 2HB CYS 18 5.065 0.744 1.906
101 H GLY 19 H GLY 19 1.935 -0.272 -0.302
102 HA2 GLY 19 1HA GLY 19 0.624 -1.874 -1.494
103 HA3 GLY 19 2HA GLY 19 1.830 -3.095 -1.114
104 H ARG 20 H ARG 20 -0.180 -0.817 0.761
105 HA ARG 20 HA ARG 20 -0.752 -3.002 2.635
106 HB2 ARG 20 1HB ARG 20 -0.700 -0.022 2.869
107 HB3 ARG 20 2HB ARG 20 -1.726 -0.943 3.960
108 HG2 ARG 20 1HG ARG 20 0.396 -2.318 4.447
109 HG3 ARG 20 2HG ARG 20 1.254 -0.960 3.716
110 HD2 ARG 20 1HD ARG 20 -0.261 0.433 5.368
111 HD3 ARG 20 2HD ARG 20 -0.298 -1.093 6.252
112 HE ARG 20 HE ARG 20 2.350 -0.289 5.511
113 HH11 ARG 20 1HH1 ARG 20 -0.183 0.105 7.866
114 HH12 ARG 20 2HH1 ARG 20 0.894 0.572 9.139
115 HH21 ARG 20 1HH2 ARG 20 3.779 0.325 7.179
116 HH22 ARG 20 2HH2 ARG 20 3.148 0.698 8.747
117 H GLY 21 H GLY 21 -2.866 -3.502 3.258
118 HA2 GLY 21 1HA GLY 21 -4.893 -2.710 1.282
119 HA3 GLY 21 2HA GLY 21 -4.951 -4.149 2.288
120 H PHE 22 H PHE 22 -6.198 -1.108 1.852
121 HA PHE 22 HA PHE 22 -7.016 -0.913 4.676
122 HB2 PHE 22 1HB PHE 22 -6.796 1.268 2.591
123 HB3 PHE 22 2HB PHE 22 -7.431 1.496 4.218
124 HD1 PHE 22 HD1 PHE 22 -5.943 1.338 6.163
125 HD2 PHE 22 HD2 PHE 22 -4.455 1.105 2.182
126 HE1 PHE 22 HE1 PHE 22 -3.668 1.776 6.991
127 HE2 PHE 22 HE2 PHE 22 -2.178 1.541 3.004
128 HZ PHE 22 HZ PHE 22 -1.781 1.877 5.411
129 H THR 23 H THR 23 -9.139 -0.916 5.173
130 HA THR 23 HA THR 23 -11.006 -1.792 3.205
131 HB THR 23 HB THR 23 -11.473 -0.890 6.054
132 HG1 THR 23 HG1 THR 23 -11.603 -3.560 5.192
133 HG21 THR 23 3HG2 THR 23 -13.562 -0.724 4.963
134 HG22 THR 23 1HG2 THR 23 -13.578 -2.293 5.768
135 HG23 THR 23 2HG2 THR 23 -13.281 -2.195 4.032
136 H LEU 24 H LEU 24 -10.697 1.207 5.099
137 HA LEU 24 HA LEU 24 -12.737 2.476 3.444
138 HB2 LEU 24 1HB LEU 24 -11.229 3.461 5.861
139 HB3 LEU 24 2HB LEU 24 -12.476 4.373 5.014
140 HG LEU 24 HG LEU 24 -12.955 1.724 6.373
141 HD11 LEU 24 1HD1 LEU 24 -12.365 3.238 8.098
142 HD12 LEU 24 2HD1 LEU 24 -14.126 3.149 8.083
143 HD13 LEU 24 3HD1 LEU 24 -13.308 4.540 7.372
144 HD21 LEU 24 3HD2 LEU 24 -14.455 2.591 4.461
145 HD22 LEU 24 1HD2 LEU 24 -15.003 3.783 5.640
146 HD23 LEU 24 2HD2 LEU 24 -15.217 2.062 5.962
147 H LYS 25 H LYS 25 -12.346 4.019 1.954
148 HA LYS 25 HA LYS 25 -9.895 4.236 0.693
149 HB2 LYS 25 1HB LYS 25 -11.849 4.908 -0.485
150 HB3 LYS 25 2HB LYS 25 -12.265 6.098 0.741
151 HG2 LYS 25 1HG LYS 25 -11.414 7.471 -0.857
152 HG3 LYS 25 2HG LYS 25 -9.938 7.122 0.045
153 HD2 LYS 25 1HD LYS 25 -10.666 5.286 -2.171
154 HD3 LYS 25 2HD LYS 25 -10.072 6.891 -2.600
155 HE2 LYS 25 1HE LYS 25 -8.073 6.506 -1.237
156 HE3 LYS 25 2HE LYS 25 -8.669 4.901 -0.818
157 HZ1 LYS 25 3HZ LYS 25 -8.543 4.267 -3.129
158 HZ2 LYS 25 1HZ LYS 25 -7.038 4.844 -2.618
159 HZ3 LYS 25 2HZ LYS 25 -8.038 5.820 -3.571
160 H SER 26 H SER 26 -11.298 6.322 3.185
161 HA SER 26 HA SER 26 -9.376 8.335 3.196
162 HB2 SER 26 1HB SER 26 -11.562 8.323 4.460
163 HB3 SER 26 2HB SER 26 -10.790 7.278 5.652
164 HG SER 26 HG SER 26 -10.445 9.265 6.438
165 H HIS 27 H HIS 27 -9.502 5.380 5.180
166 HA HIS 27 HA HIS 27 -7.323 5.597 6.748
167 HB2 HIS 27 1HB HIS 27 -8.445 3.260 5.252
168 HB3 HIS 27 2HB HIS 27 -6.944 3.060 6.151
169 HD1 HIS 27 HD1 HIS 27 -9.817 1.769 6.805
170 HD2 HIS 27 HD2 HIS 27 -8.000 4.960 8.748
171 HE1 HIS 27 HE1 HIS 27 -10.856 1.842 9.094
172 H LEU 28 H LEU 28 -7.073 4.075 3.528
173 HA LEU 28 HA LEU 28 -4.321 3.985 3.366
174 HB2 LEU 28 1HB LEU 28 -5.609 2.831 1.751
175 HB3 LEU 28 2HB LEU 28 -6.413 4.312 1.233
176 HG LEU 28 HG LEU 28 -4.178 5.082 0.353
177 HD11 LEU 28 1HD1 LEU 28 -2.886 3.430 1.748
178 HD12 LEU 28 2HD1 LEU 28 -2.420 3.528 0.051
179 HD13 LEU 28 3HD1 LEU 28 -3.413 2.185 0.615
180 HD21 LEU 28 3HD2 LEU 28 -5.037 2.533 -0.968
181 HD22 LEU 28 1HD2 LEU 28 -4.506 4.046 -1.703
182 HD23 LEU 28 2HD2 LEU 28 -6.094 3.945 -0.942
183 H ASN 29 H ASN 29 -6.448 6.548 2.095
184 HA ASN 29 HA ASN 29 -4.677 8.271 0.997
185 HB2 ASN 29 1HB ASN 29 -7.218 8.539 1.372
186 HB3 ASN 29 2HB ASN 29 -6.772 9.323 2.885
187 HD21 ASN 29 1HD2 ASN 29 -7.328 11.374 2.470
188 HD22 ASN 29 2HD2 ASN 29 -6.668 12.332 1.192
189 H GLN 30 H GLN 30 -5.609 8.451 4.439
190 HA GLN 30 HA GLN 30 -3.663 10.318 5.178
191 HB2 GLN 30 1HB GLN 30 -4.998 8.186 6.854
192 HB3 GLN 30 2HB GLN 30 -4.078 9.540 7.496
193 HG2 GLN 30 1HG GLN 30 -6.342 10.121 5.666
194 HG3 GLN 30 2HG GLN 30 -6.701 9.607 7.313
195 HE21 GLN 30 1HE2 GLN 30 -7.544 11.571 7.927
196 HE22 GLN 30 2HE2 GLN 30 -6.572 12.984 8.140
197 H HIS 31 H HIS 31 -3.550 6.811 4.980
198 HA HIS 31 HA HIS 31 -1.141 6.387 6.352
199 HB2 HIS 31 1HB HIS 31 -2.203 4.393 5.975
200 HB3 HIS 31 2HB HIS 31 -2.755 4.866 4.371
201 HD1 HIS 31 HD1 HIS 31 0.200 3.399 6.158
202 HD2 HIS 31 HD2 HIS 31 -1.063 4.172 2.277
203 HE1 HIS 31 HE1 HIS 31 1.825 2.188 4.669
204 H GLN 32 H GLN 32 -1.740 6.805 2.866
205 HA GLN 32 HA GLN 32 0.741 6.528 1.818
206 HB2 GLN 32 1HB GLN 32 -1.479 8.431 1.174
207 HB3 GLN 32 2HB GLN 32 0.047 8.558 0.309
208 HG2 GLN 32 1HG GLN 32 -0.163 6.282 -0.472
209 HG3 GLN 32 2HG GLN 32 -1.638 6.070 0.470
210 HE21 GLN 32 1HE2 GLN 32 -1.169 5.833 -2.412
211 HE22 GLN 32 2HE2 GLN 32 -2.276 6.927 -3.162
212 H ARG 33 H ARG 33 -0.321 9.041 3.952
213 HA ARG 33 HA ARG 33 1.528 11.047 3.455
214 HB2 ARG 33 1HB ARG 33 0.374 10.159 6.105
215 HB3 ARG 33 2HB ARG 33 1.217 11.679 5.837
216 HG2 ARG 33 1HG ARG 33 -0.515 12.298 4.182
217 HG3 ARG 33 2HG ARG 33 -1.382 10.816 4.589
218 HD2 ARG 33 1HD ARG 33 -0.645 12.920 6.613
219 HD3 ARG 33 2HD ARG 33 -2.184 12.900 5.752
220 HE ARG 33 HE ARG 33 -2.145 10.451 6.799
221 HH11 ARG 33 1HH1 ARG 33 -1.424 13.547 8.219
222 HH12 ARG 33 2HH1 ARG 33 -1.936 13.083 9.808
223 HH21 ARG 33 1HH2 ARG 33 -2.822 9.828 8.886
224 HH22 ARG 33 2HH2 ARG 33 -2.730 10.967 10.187
225 H ILE 34 H ILE 34 1.847 8.168 5.499
226 HA ILE 34 HA ILE 34 4.275 8.642 6.694
227 HB ILE 34 HB ILE 34 4.522 6.317 7.010
228 HG12 ILE 34 1HG1 ILE 34 2.610 5.827 4.719
229 HG13 ILE 34 2HG1 ILE 34 4.362 5.752 4.567
230 HG21 ILE 34 1HG2 ILE 34 2.716 6.319 8.297
231 HG22 ILE 34 2HG2 ILE 34 1.971 7.555 7.284
232 HG23 ILE 34 3HG2 ILE 34 1.738 5.848 6.907
233 HD11 ILE 34 3HD1 ILE 34 4.102 4.055 6.570
234 HD12 ILE 34 1HD1 ILE 34 2.487 3.878 5.886
235 HD13 ILE 34 2HD1 ILE 34 3.907 3.554 4.891
236 H HIS 35 H HIS 35 3.627 8.126 3.362
237 HA HIS 35 HA HIS 35 6.440 7.566 2.771
238 HB2 HIS 35 1HB HIS 35 4.090 7.648 0.869
239 HB3 HIS 35 2HB HIS 35 5.707 7.041 0.520
240 HD1 HIS 35 HD1 HIS 35 6.349 5.030 2.482
241 HD2 HIS 35 HD2 HIS 35 2.414 5.584 1.269
242 HE1 HIS 35 HE1 HIS 35 5.166 2.881 3.035
243 H THR 36 H THR 36 4.065 10.073 2.622
244 HA THR 36 HA THR 36 4.851 11.754 0.648
245 HB THR 36 HB THR 36 3.129 12.090 2.610
246 HG1 THR 36 HG1 THR 36 2.803 13.725 1.318
247 HG21 THR 36 3HG2 THR 36 5.327 13.914 3.555
248 HG22 THR 36 1HG2 THR 36 5.062 12.322 4.264
249 HG23 THR 36 2HG2 THR 36 3.793 13.545 4.341
250 H GLY 37 H GLY 37 6.516 11.219 3.714
251 HA2 GLY 37 1HA GLY 37 8.780 11.509 4.156
252 HA3 GLY 37 2HA GLY 37 8.966 12.247 2.572
253 H GLU 38 H GLU 38 10.167 13.211 4.943
254 HA GLU 38 HA GLU 38 8.619 15.584 5.656
255 HB2 GLU 38 1HB GLU 38 11.102 14.312 6.783
256 HB3 GLU 38 2HB GLU 38 10.619 15.941 7.235
257 HG2 GLU 38 1HG GLU 38 9.777 14.539 8.912
258 HG3 GLU 38 2HG GLU 38 8.393 14.960 7.906
259 H LYS 39 H LYS 39 9.194 17.636 5.128
260 HA LYS 39 HA LYS 39 9.991 19.192 3.623
261 HB2 LYS 39 1HB LYS 39 11.531 19.074 5.714
262 HB3 LYS 39 2HB LYS 39 12.699 18.354 4.614
263 HG2 LYS 39 1HG LYS 39 12.914 20.297 3.365
264 HG3 LYS 39 2HG LYS 39 11.383 20.956 3.947
265 HD2 LYS 39 1HD LYS 39 13.697 20.467 5.800
266 HD3 LYS 39 2HD LYS 39 13.552 21.963 4.874
267 HE2 LYS 39 1HE LYS 39 11.375 20.906 6.666
268 HE3 LYS 39 2HE LYS 39 12.620 22.028 7.215
269 HZ1 LYS 39 3HZ LYS 39 10.254 22.559 5.733
270 HZ2 LYS 39 1HZ LYS 39 11.616 23.129 4.907
271 HZ3 LYS 39 2HZ LYS 39 11.309 23.644 6.489
272 HA PRO 40 HA PRO 40 11.544 15.919 0.589
273 HB2 PRO 40 1HB PRO 40 9.349 15.897 -1.009
274 HB3 PRO 40 2HB PRO 40 9.532 14.829 0.388
275 HG2 PRO 40 1HG PRO 40 8.015 17.399 0.154
276 HG3 PRO 40 2HG PRO 40 7.536 15.885 0.943
277 HD2 PRO 40 1HD PRO 40 8.480 18.014 2.325
278 HD3 PRO 40 2HD PRO 40 8.764 16.339 2.839
279 H SER 41 H SER 41 10.798 19.132 0.751
280 HA SER 41 HA SER 41 10.624 20.036 -1.863
281 HB2 SER 41 1HB SER 41 11.247 22.164 -1.051
282 HB3 SER 41 2HB SER 41 10.482 21.374 0.328
283 HG SER 41 HG SER 41 13.149 22.052 -0.089
284 H GLY 42 H GLY 42 11.946 19.930 -3.550
285 HA2 GLY 42 1HA GLY 42 14.381 18.615 -3.583
286 HA3 GLY 42 2HA GLY 42 13.858 19.758 -4.811
287 HA PRO 43 HA PRO 43 17.572 21.333 -2.314
288 HB2 PRO 43 1HB PRO 43 19.446 21.099 -4.264
289 HB3 PRO 43 2HB PRO 43 19.102 19.811 -3.103
290 HG2 PRO 43 1HG PRO 43 18.151 20.121 -5.925
291 HG3 PRO 43 2HG PRO 43 18.739 18.668 -5.096
292 HD2 PRO 43 1HD PRO 43 16.104 19.167 -5.469
293 HD3 PRO 43 2HD PRO 43 16.719 18.295 -4.050
294 H SER 44 H SER 44 16.872 23.424 -2.331
295 HA SER 44 HA SER 44 17.385 24.956 -4.792
296 HB2 SER 44 1HB SER 44 15.438 26.425 -4.107
297 HB3 SER 44 2HB SER 44 15.001 24.808 -4.659
298 HG SER 44 HG SER 44 15.466 25.113 -1.938
299 H SER 45 H SER 45 17.412 27.400 -4.237
300 HA SER 45 HA SER 45 19.485 27.780 -2.305
301 HB2 SER 45 1HB SER 45 19.284 30.194 -2.970
302 HB3 SER 45 2HB SER 45 19.545 29.095 -4.324
303 HG SER 45 HG SER 45 17.796 29.924 -5.121
304 H GLY 46 H GLY 46 19.369 28.511 -0.263
305 HA2 GLY 46 1HA GLY 46 18.275 30.022 1.338
306 HA3 GLY 46 2HA GLY 46 16.739 29.461 0.694
Start of MODEL 11
1 H1 GLY 1 H GLY 1 15.713 -20.895 -4.890
2 HA2 GLY 1 1HA GLY 1 17.460 -19.127 -5.392
3 HA3 GLY 1 2HA GLY 1 16.311 -18.560 -6.594
4 H SER 2 H SER 2 14.312 -17.649 -5.880
5 HA SER 2 HA SER 2 14.584 -16.351 -3.273
6 HB2 SER 2 1HB SER 2 12.809 -15.754 -5.649
7 HB3 SER 2 2HB SER 2 12.743 -14.867 -4.127
8 HG SER 2 HG SER 2 14.918 -15.050 -5.936
9 H SER 3 H SER 3 13.964 -18.164 -2.005
10 HA SER 3 HA SER 3 11.342 -19.320 -2.353
11 HB2 SER 3 1HB SER 3 13.480 -20.475 -1.431
12 HB3 SER 3 2HB SER 3 13.052 -19.696 0.092
13 HG SER 3 HG SER 3 12.027 -21.911 -0.994
14 H GLY 4 H GLY 4 9.767 -17.820 -2.004
15 HA2 GLY 4 1HA GLY 4 9.587 -16.775 0.744
16 HA3 GLY 4 2HA GLY 4 9.338 -15.696 -0.620
17 H SER 5 H SER 5 7.582 -16.740 1.635
18 HA SER 5 HA SER 5 5.421 -17.876 -0.006
19 HB2 SER 5 1HB SER 5 6.319 -19.023 2.166
20 HB3 SER 5 2HB SER 5 5.352 -17.803 2.994
21 HG SER 5 HG SER 5 4.214 -19.781 2.577
22 H SER 6 H SER 6 3.791 -16.596 -0.541
23 HA SER 6 HA SER 6 2.549 -14.777 1.230
24 HB2 SER 6 1HB SER 6 4.699 -13.542 0.616
25 HB3 SER 6 2HB SER 6 4.035 -13.405 -1.012
26 HG SER 6 HG SER 6 2.371 -12.644 1.076
27 H GLY 7 H GLY 7 0.556 -14.165 0.491
28 HA2 GLY 7 1HA GLY 7 -0.265 -15.366 -2.045
29 HA3 GLY 7 2HA GLY 7 -1.333 -14.794 -0.772
30 H SER 8 H SER 8 -1.919 -14.166 -3.345
31 HA SER 8 HA SER 8 -0.928 -11.457 -3.821
32 HB2 SER 8 1HB SER 8 -2.023 -11.632 -5.998
33 HB3 SER 8 2HB SER 8 -1.003 -13.043 -5.722
34 HG SER 8 HG SER 8 -3.226 -13.823 -4.789
35 H SER 9 H SER 9 -2.460 -11.636 -1.550
36 HA SER 9 HA SER 9 -5.213 -11.166 -1.923
37 HB2 SER 9 1HB SER 9 -3.414 -10.258 0.338
38 HB3 SER 9 2HB SER 9 -5.177 -10.293 0.382
39 HG SER 9 HG SER 9 -4.925 -12.262 1.057
40 H THR 10 H THR 10 -6.376 -9.156 -1.600
41 HA THR 10 HA THR 10 -4.942 -6.672 -1.997
42 HB THR 10 HB THR 10 -6.424 -6.088 -3.992
43 HG1 THR 10 HG1 THR 10 -6.499 -8.845 -4.531
44 HG21 THR 10 3HG2 THR 10 -4.575 -8.270 -4.807
45 HG22 THR 10 1HG2 THR 10 -3.902 -6.913 -3.906
46 HG23 THR 10 2HG2 THR 10 -4.733 -6.630 -5.435
47 H LYS 11 H LYS 11 -6.041 -4.934 -1.228
48 HA LYS 11 HA LYS 11 -8.739 -5.455 -0.172
49 HB2 LYS 11 1HB LYS 11 -6.660 -4.798 1.316
50 HB3 LYS 11 2HB LYS 11 -7.061 -3.172 0.781
51 HG2 LYS 11 1HG LYS 11 -9.005 -3.109 1.964
52 HG3 LYS 11 2HG LYS 11 -9.252 -4.854 1.866
53 HD2 LYS 11 1HD LYS 11 -7.204 -5.032 3.401
54 HD3 LYS 11 2HD LYS 11 -7.444 -3.309 3.702
55 HE2 LYS 11 1HE LYS 11 -9.765 -3.803 4.410
56 HE3 LYS 11 2HE LYS 11 -9.434 -5.522 4.199
57 HZ1 LYS 11 3HZ LYS 11 -8.377 -3.669 6.228
58 HZ2 LYS 11 1HZ LYS 11 -7.495 -5.051 5.810
59 HZ3 LYS 11 2HZ LYS 11 -9.059 -5.204 6.434
60 H SER 12 H SER 12 -10.204 -3.574 -0.086
61 HA SER 12 HA SER 12 -10.950 -2.545 -2.427
62 HB2 SER 12 1HB SER 12 -10.969 -1.050 0.205
63 HB3 SER 12 2HB SER 12 -11.896 -0.573 -1.217
64 HG SER 12 HG SER 12 -13.291 -1.803 -0.113
65 H HIS 13 H HIS 13 -8.751 -0.756 -0.259
66 HA HIS 13 HA HIS 13 -7.671 0.600 -2.643
67 HB2 HIS 13 1HB HIS 13 -7.652 1.813 0.112
68 HB3 HIS 13 2HB HIS 13 -7.432 2.614 -1.441
69 HD1 HIS 13 HD1 HIS 13 -9.703 2.579 -2.997
70 HD2 HIS 13 HD2 HIS 13 -10.166 2.016 1.093
71 HE1 HIS 13 HE1 HIS 13 -12.124 3.066 -2.521
72 H GLN 14 H GLN 14 -5.822 -0.474 -3.041
73 HA GLN 14 HA GLN 14 -4.053 -1.149 -0.809
74 HB2 GLN 14 1HB GLN 14 -4.509 -2.954 -2.365
75 HB3 GLN 14 2HB GLN 14 -3.991 -1.959 -3.720
76 HG2 GLN 14 1HG GLN 14 -1.771 -2.187 -3.222
77 HG3 GLN 14 2HG GLN 14 -2.072 -2.464 -1.507
78 HE21 GLN 14 1HE2 GLN 14 -0.333 -4.028 -2.982
79 HE22 GLN 14 2HE2 GLN 14 -0.982 -5.624 -3.114
80 H CYS 15 H CYS 15 -2.136 -0.181 -0.468
81 HA CYS 15 HA CYS 15 -1.575 2.279 -1.801
82 HB2 CYS 15 1HB CYS 15 -1.090 1.879 0.603
83 HB3 CYS 15 2HB CYS 15 0.161 0.732 0.135
84 H HIS 16 H HIS 16 0.509 2.805 -2.799
85 HA HIS 16 HA HIS 16 1.495 0.556 -4.423
86 HB2 HIS 16 1HB HIS 16 1.108 3.470 -5.009
87 HB3 HIS 16 2HB HIS 16 2.319 2.557 -5.904
88 HD1 HIS 16 HD1 HIS 16 -1.270 1.717 -4.931
89 HD2 HIS 16 HD2 HIS 16 1.199 1.903 -8.267
90 HE1 HIS 16 HE1 HIS 16 -2.682 0.930 -6.857
91 H GLU 17 H GLU 17 2.378 3.067 -2.215
92 HA GLU 17 HA GLU 17 5.155 3.153 -2.764
93 HB2 GLU 17 1HB GLU 17 3.873 3.711 -0.093
94 HB3 GLU 17 2HB GLU 17 5.372 4.374 -0.728
95 HG2 GLU 17 1HG GLU 17 2.609 4.940 -1.778
96 HG3 GLU 17 2HG GLU 17 3.580 6.016 -0.775
97 H CYS 18 H CYS 18 3.180 1.215 -0.574
98 HA CYS 18 HA CYS 18 5.535 -0.486 -0.081
99 HB2 CYS 18 1HB CYS 18 4.593 -0.977 2.164
100 HB3 CYS 18 2HB CYS 18 5.034 0.716 1.962
101 H GLY 19 H GLY 19 2.015 -0.318 -0.369
102 HA2 GLY 19 1HA GLY 19 0.907 -1.950 -1.785
103 HA3 GLY 19 2HA GLY 19 2.051 -3.149 -1.201
104 H ARG 20 H ARG 20 0.669 -0.895 1.036
105 HA ARG 20 HA ARG 20 -0.440 -3.003 2.606
106 HB2 ARG 20 1HB ARG 20 -0.239 -0.042 2.827
107 HB3 ARG 20 2HB ARG 20 -1.472 -0.847 3.788
108 HG2 ARG 20 1HG ARG 20 0.554 -2.405 4.444
109 HG3 ARG 20 2HG ARG 20 1.484 -0.973 3.998
110 HD2 ARG 20 1HD ARG 20 1.076 -0.761 6.306
111 HD3 ARG 20 2HD ARG 20 -0.067 0.330 5.524
112 HE ARG 20 HE ARG 20 -1.751 -0.897 6.439
113 HH11 ARG 20 1HH1 ARG 20 1.099 -2.890 6.277
114 HH12 ARG 20 2HH1 ARG 20 0.366 -4.232 7.093
115 HH21 ARG 20 1HH2 ARG 20 -2.727 -2.657 7.514
116 HH22 ARG 20 2HH2 ARG 20 -1.810 -4.098 7.795
117 H GLY 21 H GLY 21 -2.755 -2.746 3.480
118 HA2 GLY 21 1HA GLY 21 -4.589 -2.015 1.289
119 HA3 GLY 21 2HA GLY 21 -4.720 -3.579 2.079
120 H PHE 22 H PHE 22 -6.407 -0.986 1.875
121 HA PHE 22 HA PHE 22 -7.164 -0.988 4.712
122 HB2 PHE 22 1HB PHE 22 -6.980 1.482 2.975
123 HB3 PHE 22 2HB PHE 22 -7.559 1.433 4.637
124 HD1 PHE 22 HD2 PHE 22 -4.606 1.130 2.474
125 HD2 PHE 22 HD1 PHE 22 -6.044 1.324 6.475
126 HE1 PHE 22 HE2 PHE 22 -2.309 1.490 3.279
127 HE2 PHE 22 HE1 PHE 22 -3.749 1.684 7.286
128 HZ PHE 22 HZ PHE 22 -1.878 1.767 5.688
129 H THR 23 H THR 23 -9.352 -0.761 5.134
130 HA THR 23 HA THR 23 -11.111 -1.628 3.065
131 HB THR 23 HB THR 23 -11.764 -0.627 5.844
132 HG1 THR 23 HG1 THR 23 -10.494 -2.501 5.904
133 HG21 THR 23 3HG2 THR 23 -13.914 -1.624 5.578
134 HG22 THR 23 1HG2 THR 23 -13.461 -2.337 4.030
135 HG23 THR 23 2HG2 THR 23 -13.650 -0.590 4.175
136 H LEU 24 H LEU 24 -11.092 1.345 5.043
137 HA LEU 24 HA LEU 24 -12.857 2.647 3.139
138 HB2 LEU 24 1HB LEU 24 -11.681 3.489 5.776
139 HB3 LEU 24 2HB LEU 24 -12.630 4.576 4.764
140 HG LEU 24 HG LEU 24 -13.754 1.954 5.691
141 HD11 LEU 24 1HD1 LEU 24 -14.859 3.550 7.461
142 HD12 LEU 24 2HD1 LEU 24 -13.363 4.459 7.250
143 HD13 LEU 24 3HD1 LEU 24 -13.305 2.777 7.778
144 HD21 LEU 24 3HD2 LEU 24 -14.692 3.753 3.919
145 HD22 LEU 24 1HD2 LEU 24 -15.380 4.396 5.410
146 HD23 LEU 24 2HD2 LEU 24 -15.725 2.736 4.924
147 H LYS 25 H LYS 25 -12.310 4.276 1.771
148 HA LYS 25 HA LYS 25 -9.748 4.457 0.743
149 HB2 LYS 25 1HB LYS 25 -11.635 5.215 -0.541
150 HB3 LYS 25 2HB LYS 25 -12.016 6.449 0.653
151 HG2 LYS 25 1HG LYS 25 -10.998 7.604 -1.101
152 HG3 LYS 25 2HG LYS 25 -9.734 7.441 0.121
153 HD2 LYS 25 1HD LYS 25 -8.681 6.898 -1.904
154 HD3 LYS 25 2HD LYS 25 -9.023 5.340 -1.147
155 HE2 LYS 25 1HE LYS 25 -9.757 4.941 -3.282
156 HE3 LYS 25 2HE LYS 25 -11.246 5.516 -2.531
157 HZ1 LYS 25 3HZ LYS 25 -11.224 7.408 -3.730
158 HZ2 LYS 25 1HZ LYS 25 -10.292 6.491 -4.803
159 HZ3 LYS 25 2HZ LYS 25 -9.539 7.548 -3.719
160 H SER 26 H SER 26 -11.337 6.565 3.112
161 HA SER 26 HA SER 26 -9.416 8.522 3.392
162 HB2 SER 26 1HB SER 26 -11.681 8.410 4.527
163 HB3 SER 26 2HB SER 26 -10.941 7.341 5.719
164 HG SER 26 HG SER 26 -9.317 9.201 5.817
165 H HIS 27 H HIS 27 -9.592 5.392 5.061
166 HA HIS 27 HA HIS 27 -7.456 5.610 6.774
167 HB2 HIS 27 1HB HIS 27 -8.475 3.238 5.215
168 HB3 HIS 27 2HB HIS 27 -7.184 3.097 6.405
169 HD1 HIS 27 HD1 HIS 27 -9.991 1.711 6.675
170 HD2 HIS 27 HD2 HIS 27 -8.869 5.272 8.496
171 HE1 HIS 27 HE1 HIS 27 -11.501 1.949 8.671
172 H LEU 28 H LEU 28 -7.281 4.182 3.506
173 HA LEU 28 HA LEU 28 -4.514 3.941 3.387
174 HB2 LEU 28 1HB LEU 28 -5.822 2.822 1.769
175 HB3 LEU 28 2HB LEU 28 -6.586 4.321 1.245
176 HG LEU 28 HG LEU 28 -4.362 5.036 0.340
177 HD11 LEU 28 1HD1 LEU 28 -2.888 3.656 1.630
178 HD12 LEU 28 2HD1 LEU 28 -2.718 3.219 -0.070
179 HD13 LEU 28 3HD1 LEU 28 -3.649 2.188 1.015
180 HD21 LEU 28 3HD2 LEU 28 -4.508 3.627 -1.651
181 HD22 LEU 28 1HD2 LEU 28 -6.108 4.122 -1.099
182 HD23 LEU 28 2HD2 LEU 28 -5.531 2.487 -0.775
183 H ASN 29 H ASN 29 -6.575 6.610 2.256
184 HA ASN 29 HA ASN 29 -4.722 8.259 1.108
185 HB2 ASN 29 1HB ASN 29 -7.136 8.751 1.205
186 HB3 ASN 29 2HB ASN 29 -6.987 9.125 2.919
187 HD21 ASN 29 1HD2 ASN 29 -6.814 11.185 3.385
188 HD22 ASN 29 2HD2 ASN 29 -6.192 12.419 2.348
189 H GLN 30 H GLN 30 -5.610 8.255 4.562
190 HA GLN 30 HA GLN 30 -3.671 10.142 5.346
191 HB2 GLN 30 1HB GLN 30 -5.549 9.703 6.778
192 HB3 GLN 30 2HB GLN 30 -5.120 8.002 6.906
193 HG2 GLN 30 1HG GLN 30 -3.033 8.670 8.065
194 HG3 GLN 30 2HG GLN 30 -3.599 10.339 8.035
195 HE21 GLN 30 1HE2 GLN 30 -5.073 7.196 8.784
196 HE22 GLN 30 2HE2 GLN 30 -5.716 7.672 10.316
197 H HIS 31 H HIS 31 -3.556 6.679 4.903
198 HA HIS 31 HA HIS 31 -1.145 6.195 6.302
199 HB2 HIS 31 1HB HIS 31 -2.271 4.229 5.912
200 HB3 HIS 31 2HB HIS 31 -2.781 4.715 4.297
201 HD1 HIS 31 HD1 HIS 31 -0.095 2.935 6.122
202 HD2 HIS 31 HD2 HIS 31 -0.852 4.260 2.258
203 HE1 HIS 31 HE1 HIS 31 1.592 1.767 4.668
204 H GLN 32 H GLN 32 -1.810 6.687 2.839
205 HA GLN 32 HA GLN 32 0.666 6.404 1.754
206 HB2 GLN 32 1HB GLN 32 -1.512 8.384 1.134
207 HB3 GLN 32 2HB GLN 32 -0.029 8.330 0.190
208 HG2 GLN 32 1HG GLN 32 -0.480 6.166 -0.597
209 HG3 GLN 32 2HG GLN 32 -1.736 5.902 0.611
210 HE21 GLN 32 1HE2 GLN 32 -2.088 5.494 -2.134
211 HE22 GLN 32 2HE2 GLN 32 -3.253 6.632 -2.710
212 H ARG 33 H ARG 33 -0.370 8.871 3.938
213 HA ARG 33 HA ARG 33 1.450 10.906 3.404
214 HB2 ARG 33 1HB ARG 33 0.244 9.999 6.020
215 HB3 ARG 33 2HB ARG 33 1.189 11.472 5.846
216 HG2 ARG 33 1HG ARG 33 -0.506 12.088 4.011
217 HG3 ARG 33 2HG ARG 33 -1.507 10.823 4.726
218 HD2 ARG 33 1HD ARG 33 -2.186 12.808 5.781
219 HD3 ARG 33 2HD ARG 33 -1.136 12.005 6.947
220 HE ARG 33 HE ARG 33 0.277 13.860 5.293
221 HH11 ARG 33 1HH1 ARG 33 -1.739 13.560 8.115
222 HH12 ARG 33 2HH1 ARG 33 -1.139 15.006 8.858
223 HH21 ARG 33 1HH2 ARG 33 1.074 15.766 6.260
224 HH22 ARG 33 2HH2 ARG 33 0.460 16.260 7.801
225 H ILE 34 H ILE 34 1.815 7.995 5.381
226 HA ILE 34 HA ILE 34 4.201 8.441 6.633
227 HB ILE 34 HB ILE 34 4.545 6.098 6.746
228 HG12 ILE 34 1HG1 ILE 34 2.674 5.820 4.383
229 HG13 ILE 34 2HG1 ILE 34 4.425 5.655 4.315
230 HG21 ILE 34 1HG2 ILE 34 1.956 7.240 7.128
231 HG22 ILE 34 2HG2 ILE 34 1.781 5.555 6.638
232 HG23 ILE 34 3HG2 ILE 34 2.755 5.966 8.050
233 HD11 ILE 34 3HD1 ILE 34 2.920 3.549 4.448
234 HD12 ILE 34 1HD1 ILE 34 4.406 3.627 5.393
235 HD13 ILE 34 2HD1 ILE 34 2.851 3.932 6.168
236 H HIS 35 H HIS 35 3.656 7.853 3.240
237 HA HIS 35 HA HIS 35 6.530 7.658 2.729
238 HB2 HIS 35 1HB HIS 35 4.371 7.520 0.638
239 HB3 HIS 35 2HB HIS 35 5.998 6.849 0.581
240 HD1 HIS 35 HD1 HIS 35 6.380 4.836 2.437
241 HD2 HIS 35 HD2 HIS 35 2.481 5.699 1.289
242 HE1 HIS 35 HE1 HIS 35 5.029 2.811 3.068
243 H THR 36 H THR 36 3.792 9.779 2.262
244 HA THR 36 HA THR 36 4.778 11.527 0.349
245 HB THR 36 HB THR 36 3.103 12.284 2.751
246 HG1 THR 36 HG1 THR 36 2.044 11.723 0.204
247 HG21 THR 36 3HG2 THR 36 2.366 14.154 1.478
248 HG22 THR 36 1HG2 THR 36 3.172 13.568 0.024
249 HG23 THR 36 2HG2 THR 36 4.127 14.148 1.389
250 H GLY 37 H GLY 37 6.851 12.217 0.443
251 HA2 GLY 37 1HA GLY 37 8.408 13.851 1.082
252 HA3 GLY 37 2HA GLY 37 7.525 14.072 2.586
253 H GLU 38 H GLU 38 10.269 12.771 1.170
254 HA GLU 38 HA GLU 38 10.754 11.041 3.506
255 HB2 GLU 38 1HB GLU 38 12.409 9.857 2.081
256 HB3 GLU 38 2HB GLU 38 10.762 9.738 1.477
257 HG2 GLU 38 1HG GLU 38 11.186 11.311 -0.244
258 HG3 GLU 38 2HG GLU 38 12.742 11.753 0.456
259 H LYS 39 H LYS 39 12.806 11.105 4.493
260 HA LYS 39 HA LYS 39 14.426 13.476 3.830
261 HB2 LYS 39 1HB LYS 39 13.727 12.414 6.574
262 HB3 LYS 39 2HB LYS 39 14.891 13.697 6.268
263 HG2 LYS 39 1HG LYS 39 13.233 15.188 5.557
264 HG3 LYS 39 2HG LYS 39 12.044 13.901 5.350
265 HD2 LYS 39 1HD LYS 39 11.912 13.576 7.735
266 HD3 LYS 39 2HD LYS 39 13.218 14.733 8.002
267 HE2 LYS 39 1HE LYS 39 11.310 15.979 8.450
268 HE3 LYS 39 2HE LYS 39 11.683 16.406 6.781
269 HZ1 LYS 39 3HZ LYS 39 9.339 15.238 7.814
270 HZ2 LYS 39 1HZ LYS 39 10.037 14.171 6.702
271 HZ3 LYS 39 2HZ LYS 39 9.656 15.751 6.234
272 HA PRO 40 HA PRO 40 17.137 9.756 3.614
273 HB2 PRO 40 1HB PRO 40 18.580 10.669 1.503
274 HB3 PRO 40 2HB PRO 40 17.050 9.804 1.319
275 HG2 PRO 40 1HG PRO 40 17.584 12.748 1.229
276 HG3 PRO 40 2HG PRO 40 16.546 11.767 0.178
277 HD2 PRO 40 1HD PRO 40 15.563 13.268 2.206
278 HD3 PRO 40 2HD PRO 40 14.817 11.738 1.702
279 H SER 41 H SER 41 19.614 9.746 3.485
280 HA SER 41 HA SER 41 20.587 11.658 5.424
281 HB2 SER 41 1HB SER 41 21.746 9.179 4.164
282 HB3 SER 41 2HB SER 41 22.730 10.249 5.162
283 HG SER 41 HG SER 41 20.418 8.795 5.909
284 H GLY 42 H GLY 42 22.855 12.558 5.087
285 HA2 GLY 42 1HA GLY 42 22.824 14.305 2.875
286 HA3 GLY 42 2HA GLY 42 24.181 14.057 3.963
287 HA PRO 43 HA PRO 43 24.508 11.631 -0.242
288 HB2 PRO 43 1HB PRO 43 24.767 13.536 -2.159
289 HB3 PRO 43 2HB PRO 43 23.213 12.810 -1.730
290 HG2 PRO 43 1HG PRO 43 24.382 15.429 -0.872
291 HG3 PRO 43 2HG PRO 43 22.723 15.055 -1.376
292 HD2 PRO 43 1HD PRO 43 23.435 15.304 1.225
293 HD3 PRO 43 2HD PRO 43 22.157 14.196 0.686
294 H SER 44 H SER 44 26.007 14.415 1.137
295 HA SER 44 HA SER 44 28.173 15.074 1.358
296 HB2 SER 44 1HB SER 44 28.769 12.217 0.550
297 HB3 SER 44 2HB SER 44 29.901 13.329 1.321
298 HG SER 44 HG SER 44 28.603 13.331 3.151
299 H SER 45 H SER 45 26.982 15.746 -1.039
300 HA SER 45 HA SER 45 28.482 15.037 -3.324
301 HB2 SER 45 1HB SER 45 26.737 17.435 -2.736
302 HB3 SER 45 2HB SER 45 27.453 17.119 -4.316
303 HG SER 45 HG SER 45 25.191 16.268 -3.631
304 H GLY 46 H GLY 46 28.725 17.744 -1.051
305 HA2 GLY 46 1HA GLY 46 30.776 18.752 -0.437
306 HA3 GLY 46 2HA GLY 46 31.493 18.138 -1.919
Start of MODEL 12
1 H1 GLY 1 H GLY 1 10.047 -19.355 18.074
2 HA2 GLY 1 1HA GLY 1 8.291 -17.928 19.310
3 HA3 GLY 1 2HA GLY 1 9.471 -16.647 19.075
4 H SER 2 H SER 2 6.733 -18.038 17.844
5 HA SER 2 HA SER 2 6.987 -16.532 15.375
6 HB2 SER 2 1HB SER 2 6.396 -18.387 13.923
7 HB3 SER 2 2HB SER 2 7.857 -18.799 14.821
8 HG SER 2 HG SER 2 5.279 -19.551 15.707
9 H SER 3 H SER 3 4.974 -16.111 14.350
10 HA SER 3 HA SER 3 2.666 -16.534 16.130
11 HB2 SER 3 1HB SER 3 3.439 -14.159 15.766
12 HB3 SER 3 2HB SER 3 2.983 -14.341 14.072
13 HG SER 3 HG SER 3 1.425 -13.571 15.967
14 H GLY 4 H GLY 4 0.515 -16.420 14.907
15 HA2 GLY 4 1HA GLY 4 0.622 -17.477 12.198
16 HA3 GLY 4 2HA GLY 4 0.004 -18.576 13.422
17 H SER 5 H SER 5 -0.944 -16.537 11.086
18 HA SER 5 HA SER 5 -3.621 -16.354 12.142
19 HB2 SER 5 1HB SER 5 -2.566 -14.318 13.074
20 HB3 SER 5 2HB SER 5 -2.133 -13.811 11.441
21 HG SER 5 HG SER 5 -4.621 -14.221 11.206
22 H SER 6 H SER 6 -5.085 -16.509 10.549
23 HA SER 6 HA SER 6 -4.133 -16.135 7.784
24 HB2 SER 6 1HB SER 6 -5.618 -17.935 7.095
25 HB3 SER 6 2HB SER 6 -4.560 -18.511 8.383
26 HG SER 6 HG SER 6 -6.442 -19.133 9.158
27 H GLY 7 H GLY 7 -5.585 -15.267 6.263
28 HA2 GLY 7 1HA GLY 7 -8.246 -14.507 6.910
29 HA3 GLY 7 2HA GLY 7 -7.155 -13.143 7.108
30 H SER 8 H SER 8 -9.302 -14.335 5.054
31 HA SER 8 HA SER 8 -7.765 -13.632 2.643
32 HB2 SER 8 1HB SER 8 -8.738 -15.900 2.627
33 HB3 SER 8 2HB SER 8 -10.343 -15.208 2.862
34 HG SER 8 HG SER 8 -10.263 -14.327 0.850
35 H SER 9 H SER 9 -8.662 -11.567 4.266
36 HA SER 9 HA SER 9 -11.185 -10.563 3.343
37 HB2 SER 9 1HB SER 9 -10.410 -9.947 5.558
38 HB3 SER 9 2HB SER 9 -8.943 -9.235 4.885
39 HG SER 9 HG SER 9 -10.169 -7.627 3.955
40 H THR 10 H THR 10 -11.593 -9.407 1.579
41 HA THR 10 HA THR 10 -9.394 -8.686 -0.176
42 HB THR 10 HB THR 10 -12.376 -8.441 -0.621
43 HG1 THR 10 HG1 THR 10 -10.539 -10.513 -0.952
44 HG21 THR 10 3HG2 THR 10 -11.055 -8.650 -3.062
45 HG22 THR 10 1HG2 THR 10 -10.082 -7.515 -2.128
46 HG23 THR 10 2HG2 THR 10 -11.798 -7.200 -2.386
47 H LYS 11 H LYS 11 -8.924 -6.620 -0.890
48 HA LYS 11 HA LYS 11 -10.172 -4.433 0.643
49 HB2 LYS 11 1HB LYS 11 -8.090 -3.307 0.742
50 HB3 LYS 11 2HB LYS 11 -7.753 -4.977 1.175
51 HG2 LYS 11 1HG LYS 11 -7.465 -4.211 -1.674
52 HG3 LYS 11 2HG LYS 11 -6.250 -3.630 -0.533
53 HD2 LYS 11 1HD LYS 11 -7.058 -6.516 -0.579
54 HD3 LYS 11 2HD LYS 11 -5.867 -5.894 -1.723
55 HE2 LYS 11 1HE LYS 11 -4.466 -6.525 -0.040
56 HE3 LYS 11 2HE LYS 11 -4.820 -4.880 0.488
57 HZ1 LYS 11 3HZ LYS 11 -6.107 -5.606 2.198
58 HZ2 LYS 11 1HZ LYS 11 -5.042 -6.917 2.106
59 HZ3 LYS 11 2HZ LYS 11 -6.580 -7.027 1.412
60 H SER 12 H SER 12 -9.535 -2.233 -0.544
61 HA SER 12 HA SER 12 -10.012 -2.547 -3.427
62 HB2 SER 12 1HB SER 12 -11.765 -0.934 -3.437
63 HB3 SER 12 2HB SER 12 -12.148 -2.058 -2.133
64 HG SER 12 HG SER 12 -11.254 -0.536 -0.673
65 H HIS 13 H HIS 13 -9.122 -0.340 -0.800
66 HA HIS 13 HA HIS 13 -7.657 1.332 -2.707
67 HB2 HIS 13 1HB HIS 13 -8.091 1.863 0.234
68 HB3 HIS 13 2HB HIS 13 -7.588 3.012 -1.003
69 HD1 HIS 13 HD1 HIS 13 -9.467 3.666 -2.792
70 HD2 HIS 13 HD2 HIS 13 -10.796 1.650 0.589
71 HE1 HIS 13 HE1 HIS 13 -11.954 4.031 -2.726
72 H GLN 14 H GLN 14 -5.976 -0.231 -3.047
73 HA GLN 14 HA GLN 14 -4.259 -0.851 -0.778
74 HB2 GLN 14 1HB GLN 14 -4.923 -2.466 -2.708
75 HB3 GLN 14 2HB GLN 14 -3.674 -1.626 -3.617
76 HG2 GLN 14 1HG GLN 14 -2.166 -2.164 -1.593
77 HG3 GLN 14 2HG GLN 14 -3.404 -3.354 -1.195
78 HE21 GLN 14 1HE2 GLN 14 -0.517 -3.072 -2.567
79 HE22 GLN 14 2HE2 GLN 14 -0.591 -4.332 -3.746
80 H CYS 15 H CYS 15 -2.103 -0.230 -0.611
81 HA CYS 15 HA CYS 15 -1.488 2.303 -1.872
82 HB2 CYS 15 1HB CYS 15 -1.086 1.798 0.577
83 HB3 CYS 15 2HB CYS 15 0.230 0.746 0.064
84 H HIS 16 H HIS 16 0.589 2.726 -2.884
85 HA HIS 16 HA HIS 16 1.545 0.392 -4.403
86 HB2 HIS 16 1HB HIS 16 1.280 3.299 -5.118
87 HB3 HIS 16 2HB HIS 16 2.398 2.257 -5.994
88 HD1 HIS 16 HD1 HIS 16 -1.293 2.606 -5.255
89 HD2 HIS 16 HD2 HIS 16 1.249 0.681 -7.918
90 HE1 HIS 16 HE1 HIS 16 -2.791 1.599 -7.005
91 H GLU 17 H GLU 17 2.430 2.858 -2.192
92 HA GLU 17 HA GLU 17 5.229 2.894 -2.750
93 HB2 GLU 17 1HB GLU 17 3.921 3.638 -0.137
94 HB3 GLU 17 2HB GLU 17 5.450 4.220 -0.780
95 HG2 GLU 17 1HG GLU 17 2.730 4.801 -1.929
96 HG3 GLU 17 2HG GLU 17 3.692 5.901 -0.944
97 H CYS 18 H CYS 18 3.156 1.123 -0.515
98 HA CYS 18 HA CYS 18 5.457 -0.599 0.136
99 HB2 CYS 18 1HB CYS 18 4.436 -0.958 2.370
100 HB3 CYS 18 2HB CYS 18 4.912 0.716 2.099
101 H GLY 19 H GLY 19 1.965 -0.369 -0.328
102 HA2 GLY 19 1HA GLY 19 0.743 -1.987 -1.571
103 HA3 GLY 19 2HA GLY 19 1.969 -3.180 -1.168
104 H ARG 20 H ARG 20 -0.042 -0.981 0.787
105 HA ARG 20 HA ARG 20 -0.653 -3.220 2.563
106 HB2 ARG 20 1HB ARG 20 -0.722 -0.248 2.815
107 HB3 ARG 20 2HB ARG 20 -1.795 -1.196 3.836
108 HG2 ARG 20 1HG ARG 20 0.383 -2.529 4.386
109 HG3 ARG 20 2HG ARG 20 1.179 -1.058 3.825
110 HD2 ARG 20 1HD ARG 20 0.142 0.254 5.493
111 HD3 ARG 20 2HD ARG 20 -1.006 -1.025 5.889
112 HE ARG 20 HE ARG 20 1.774 -1.688 6.331
113 HH11 ARG 20 1HH1 ARG 20 -1.165 -0.408 7.689
114 HH12 ARG 20 2HH1 ARG 20 -0.704 -0.735 9.327
115 HH21 ARG 20 1HH2 ARG 20 2.392 -2.123 8.483
116 HH22 ARG 20 2HH2 ARG 20 1.319 -1.710 9.777
117 H GLY 21 H GLY 21 -2.980 -2.996 3.567
118 HA2 GLY 21 1HA GLY 21 -4.895 -2.580 1.358
119 HA3 GLY 21 2HA GLY 21 -4.952 -4.022 2.361
120 H PHE 22 H PHE 22 -6.202 -0.971 1.916
121 HA PHE 22 HA PHE 22 -7.166 -0.870 4.699
122 HB2 PHE 22 1HB PHE 22 -6.841 1.464 2.802
123 HB3 PHE 22 2HB PHE 22 -7.358 1.546 4.483
124 HD1 PHE 22 HD1 PHE 22 -5.750 1.067 6.294
125 HD2 PHE 22 HD2 PHE 22 -4.549 1.309 2.218
126 HE1 PHE 22 HE1 PHE 22 -3.408 1.324 7.003
127 HE2 PHE 22 HE2 PHE 22 -2.205 1.565 2.920
128 HZ PHE 22 HZ PHE 22 -1.631 1.573 5.315
129 H THR 23 H THR 23 -9.241 -1.345 4.900
130 HA THR 23 HA THR 23 -10.997 -1.849 2.813
131 HB THR 23 HB THR 23 -11.756 -1.009 5.618
132 HG1 THR 23 HG1 THR 23 -11.347 -3.039 6.202
133 HG21 THR 23 3HG2 THR 23 -13.621 -0.988 4.002
134 HG22 THR 23 1HG2 THR 23 -13.807 -2.250 5.219
135 HG23 THR 23 2HG2 THR 23 -13.265 -2.666 3.593
136 H LEU 24 H LEU 24 -10.859 1.039 4.898
137 HA LEU 24 HA LEU 24 -12.710 2.429 3.136
138 HB2 LEU 24 1HB LEU 24 -11.453 3.073 5.782
139 HB3 LEU 24 2HB LEU 24 -12.298 4.304 4.844
140 HG LEU 24 HG LEU 24 -13.657 1.738 5.595
141 HD11 LEU 24 1HD1 LEU 24 -12.601 3.447 7.487
142 HD12 LEU 24 2HD1 LEU 24 -13.924 2.307 7.730
143 HD13 LEU 24 3HD1 LEU 24 -14.272 3.987 7.321
144 HD21 LEU 24 3HD2 LEU 24 -14.454 4.449 4.638
145 HD22 LEU 24 1HD2 LEU 24 -15.580 3.510 5.618
146 HD23 LEU 24 2HD2 LEU 24 -14.986 2.859 4.090
147 H LYS 25 H LYS 25 -12.227 4.365 2.058
148 HA LYS 25 HA LYS 25 -9.704 4.480 0.826
149 HB2 LYS 25 1HB LYS 25 -12.069 5.462 0.149
150 HB3 LYS 25 2HB LYS 25 -11.438 6.908 0.926
151 HG2 LYS 25 1HG LYS 25 -9.932 5.455 -1.226
152 HG3 LYS 25 2HG LYS 25 -11.116 6.716 -1.577
153 HD2 LYS 25 1HD LYS 25 -9.827 8.376 -0.591
154 HD3 LYS 25 2HD LYS 25 -8.905 7.224 0.376
155 HE2 LYS 25 1HE LYS 25 -7.385 7.847 -1.258
156 HE3 LYS 25 2HE LYS 25 -8.057 6.352 -1.907
157 HZ1 LYS 25 3HZ LYS 25 -9.264 8.934 -2.638
158 HZ2 LYS 25 1HZ LYS 25 -9.257 7.476 -3.495
159 HZ3 LYS 25 2HZ LYS 25 -7.855 8.419 -3.418
160 H SER 26 H SER 26 -11.177 6.740 3.161
161 HA SER 26 HA SER 26 -9.161 8.517 3.532
162 HB2 SER 26 1HB SER 26 -9.962 8.811 5.846
163 HB3 SER 26 2HB SER 26 -11.306 8.663 4.713
164 HG SER 26 HG SER 26 -10.991 7.275 6.856
165 H HIS 27 H HIS 27 -9.387 5.294 4.977
166 HA HIS 27 HA HIS 27 -7.231 5.373 6.702
167 HB2 HIS 27 1HB HIS 27 -8.413 3.142 5.065
168 HB3 HIS 27 2HB HIS 27 -7.034 2.863 6.124
169 HD1 HIS 27 HD1 HIS 27 -9.815 1.529 6.575
170 HD2 HIS 27 HD2 HIS 27 -8.489 4.981 8.469
171 HE1 HIS 27 HE1 HIS 27 -11.152 1.686 8.699
172 H LEU 28 H LEU 28 -7.186 4.264 3.311
173 HA LEU 28 HA LEU 28 -4.414 3.896 3.145
174 HB2 LEU 28 1HB LEU 28 -5.778 2.909 1.489
175 HB3 LEU 28 2HB LEU 28 -6.517 4.454 1.072
176 HG LEU 28 HG LEU 28 -4.246 5.159 0.205
177 HD11 LEU 28 1HD1 LEU 28 -2.912 3.480 1.364
178 HD12 LEU 28 2HD1 LEU 28 -2.689 3.374 -0.382
179 HD13 LEU 28 3HD1 LEU 28 -3.712 2.201 0.449
180 HD21 LEU 28 3HD2 LEU 28 -4.569 4.072 -1.919
181 HD22 LEU 28 1HD2 LEU 28 -6.144 4.451 -1.221
182 HD23 LEU 28 2HD2 LEU 28 -5.530 2.799 -1.165
183 H ASN 29 H ASN 29 -6.424 6.686 2.245
184 HA ASN 29 HA ASN 29 -4.451 8.329 1.205
185 HB2 ASN 29 1HB ASN 29 -6.825 8.885 1.073
186 HB3 ASN 29 2HB ASN 29 -6.888 9.116 2.818
187 HD21 ASN 29 1HD2 ASN 29 -6.956 11.163 3.351
188 HD22 ASN 29 2HD2 ASN 29 -6.141 12.458 2.550
189 H GLN 30 H GLN 30 -5.703 8.422 4.547
190 HA GLN 30 HA GLN 30 -3.770 10.189 5.535
191 HB2 GLN 30 1HB GLN 30 -5.719 9.887 6.835
192 HB3 GLN 30 2HB GLN 30 -5.526 8.139 6.867
193 HG2 GLN 30 1HG GLN 30 -4.985 9.055 9.020
194 HG3 GLN 30 2HG GLN 30 -3.527 8.406 8.271
195 HE21 GLN 30 1HE2 GLN 30 -1.805 9.635 8.428
196 HE22 GLN 30 2HE2 GLN 30 -1.787 11.353 8.608
197 H HIS 31 H HIS 31 -3.495 6.934 4.624
198 HA HIS 31 HA HIS 31 -1.286 6.315 6.390
199 HB2 HIS 31 1HB HIS 31 -2.399 4.358 5.958
200 HB3 HIS 31 2HB HIS 31 -2.856 4.851 4.330
201 HD1 HIS 31 HD1 HIS 31 0.009 3.354 6.254
202 HD2 HIS 31 HD2 HIS 31 -1.136 4.043 2.320
203 HE1 HIS 31 HE1 HIS 31 1.653 2.079 4.842
204 H GLN 32 H GLN 32 -1.750 6.868 2.909
205 HA GLN 32 HA GLN 32 0.843 6.523 2.035
206 HB2 GLN 32 1HB GLN 32 -1.444 8.199 1.104
207 HB3 GLN 32 2HB GLN 32 0.134 8.456 0.372
208 HG2 GLN 32 1HG GLN 32 0.182 6.364 -0.590
209 HG3 GLN 32 2HG GLN 32 -0.976 5.695 0.560
210 HE21 GLN 32 1HE2 GLN 32 -1.496 5.058 -1.903
211 HE22 GLN 32 2HE2 GLN 32 -2.784 5.990 -2.578
212 H ARG 33 H ARG 33 -0.487 9.087 3.935
213 HA ARG 33 HA ARG 33 1.226 11.192 3.439
214 HB2 ARG 33 1HB ARG 33 0.366 10.443 6.226
215 HB3 ARG 33 2HB ARG 33 0.631 12.050 5.562
216 HG2 ARG 33 1HG ARG 33 -1.674 10.194 5.131
217 HG3 ARG 33 2HG ARG 33 -1.680 11.869 5.686
218 HD2 ARG 33 1HD ARG 33 -0.821 11.038 2.923
219 HD3 ARG 33 2HD ARG 33 -2.473 11.502 3.325
220 HE ARG 33 HE ARG 33 -0.232 13.246 2.962
221 HH11 ARG 33 1HH1 ARG 33 -3.291 12.860 4.579
222 HH12 ARG 33 2HH1 ARG 33 -3.567 14.562 4.744
223 HH21 ARG 33 1HH2 ARG 33 -0.584 15.490 3.173
224 HH22 ARG 33 2HH2 ARG 33 -2.027 16.057 3.943
225 H ILE 34 H ILE 34 1.909 8.158 4.917
226 HA ILE 34 HA ILE 34 4.228 8.928 6.373
227 HB ILE 34 HB ILE 34 4.660 6.623 6.693
228 HG12 ILE 34 1HG1 ILE 34 2.853 6.142 4.315
229 HG13 ILE 34 2HG1 ILE 34 4.588 5.855 4.397
230 HG21 ILE 34 1HG2 ILE 34 2.885 6.862 8.055
231 HG22 ILE 34 2HG2 ILE 34 1.866 7.533 6.782
232 HG23 ILE 34 3HG2 ILE 34 2.097 5.789 6.899
233 HD11 ILE 34 3HD1 ILE 34 2.343 4.272 5.516
234 HD12 ILE 34 1HD1 ILE 34 3.807 3.739 4.689
235 HD13 ILE 34 2HD1 ILE 34 3.886 4.266 6.371
236 H HIS 35 H HIS 35 3.642 7.844 3.085
237 HA HIS 35 HA HIS 35 6.467 7.644 2.480
238 HB2 HIS 35 1HB HIS 35 4.150 7.554 0.544
239 HB3 HIS 35 2HB HIS 35 5.784 6.952 0.284
240 HD1 HIS 35 HD1 HIS 35 6.436 4.957 2.140
241 HD2 HIS 35 HD2 HIS 35 2.431 5.594 1.234
242 HE1 HIS 35 HE1 HIS 35 5.248 2.851 2.829
243 H THR 36 H THR 36 5.173 10.225 3.317
244 HA THR 36 HA THR 36 5.170 11.937 1.029
245 HB THR 36 HB THR 36 3.881 12.499 3.045
246 HG1 THR 36 HG1 THR 36 5.928 14.433 2.629
247 HG21 THR 36 3HG2 THR 36 6.582 12.927 4.327
248 HG22 THR 36 1HG2 THR 36 5.435 11.652 4.734
249 HG23 THR 36 2HG2 THR 36 5.026 13.339 5.045
250 H GLY 37 H GLY 37 7.552 10.989 3.430
251 HA2 GLY 37 1HA GLY 37 9.576 12.476 1.880
252 HA3 GLY 37 2HA GLY 37 9.573 12.517 3.637
253 H GLU 38 H GLU 38 10.586 10.934 4.744
254 HA GLU 38 HA GLU 38 12.208 9.090 3.249
255 HB2 GLU 38 1HB GLU 38 12.843 10.339 5.408
256 HB3 GLU 38 2HB GLU 38 11.900 9.111 6.242
257 HG2 GLU 38 1HG GLU 38 14.074 8.315 6.355
258 HG3 GLU 38 2HG GLU 38 13.369 7.415 5.013
259 H LYS 39 H LYS 39 12.112 6.856 3.254
260 HA LYS 39 HA LYS 39 9.517 5.736 4.063
261 HB2 LYS 39 1HB LYS 39 10.228 5.635 1.637
262 HB3 LYS 39 2HB LYS 39 11.502 4.530 2.135
263 HG2 LYS 39 1HG LYS 39 9.992 2.851 2.703
264 HG3 LYS 39 2HG LYS 39 8.632 3.973 2.781
265 HD2 LYS 39 1HD LYS 39 9.175 4.338 0.247
266 HD3 LYS 39 2HD LYS 39 9.972 2.770 0.397
267 HE2 LYS 39 1HE LYS 39 7.139 3.248 1.290
268 HE3 LYS 39 2HE LYS 39 7.546 2.751 -0.352
269 HZ1 LYS 39 3HZ LYS 39 7.119 1.087 1.752
270 HZ2 LYS 39 1HZ LYS 39 8.807 1.130 1.646
271 HZ3 LYS 39 2HZ LYS 39 7.887 0.667 0.305
272 HA PRO 40 HA PRO 40 11.653 3.531 7.263
273 HB2 PRO 40 1HB PRO 40 9.578 1.939 7.990
274 HB3 PRO 40 2HB PRO 40 9.680 3.646 8.435
275 HG2 PRO 40 1HG PRO 40 8.136 2.355 6.219
276 HG3 PRO 40 2HG PRO 40 7.631 3.635 7.337
277 HD2 PRO 40 1HD PRO 40 8.434 4.149 4.803
278 HD3 PRO 40 2HD PRO 40 8.712 5.282 6.141
279 H SER 41 H SER 41 12.650 1.558 7.526
280 HA SER 41 HA SER 41 12.579 -0.208 5.216
281 HB2 SER 41 1HB SER 41 14.391 -0.203 7.643
282 HB3 SER 41 2HB SER 41 14.575 -1.250 6.236
283 HG SER 41 HG SER 41 14.423 1.511 5.824
284 H GLY 42 H GLY 42 11.486 -2.057 5.163
285 HA2 GLY 42 1HA GLY 42 10.846 -3.387 7.715
286 HA3 GLY 42 2HA GLY 42 9.590 -3.106 6.519
287 HA PRO 43 HA PRO 43 12.044 -7.154 5.826
288 HB2 PRO 43 1HB PRO 43 10.333 -8.914 6.984
289 HB3 PRO 43 2HB PRO 43 11.674 -8.162 7.857
290 HG2 PRO 43 1HG PRO 43 8.772 -7.424 7.841
291 HG3 PRO 43 2HG PRO 43 9.896 -7.516 9.210
292 HD2 PRO 43 1HD PRO 43 9.219 -5.172 8.036
293 HD3 PRO 43 2HD PRO 43 10.818 -5.453 8.754
294 H SER 44 H SER 44 11.578 -7.082 3.664
295 HA SER 44 HA SER 44 9.073 -8.347 2.846
296 HB2 SER 44 1HB SER 44 9.963 -5.593 2.105
297 HB3 SER 44 2HB SER 44 9.145 -6.566 0.882
298 HG SER 44 HG SER 44 7.984 -5.157 2.687
299 H SER 45 H SER 45 9.153 -9.331 0.772
300 HA SER 45 HA SER 45 10.279 -10.863 -0.548
301 HB2 SER 45 1HB SER 45 11.258 -9.774 -2.425
302 HB3 SER 45 2HB SER 45 10.016 -8.675 -1.826
303 HG SER 45 HG SER 45 11.900 -7.760 -0.566
304 H GLY 46 H GLY 46 11.469 -10.948 1.924
305 HA2 GLY 46 1HA GLY 46 13.869 -12.203 1.500
306 HA3 GLY 46 2HA GLY 46 14.299 -10.520 1.765
Start of MODEL 13
1 H1 GLY 1 H GLY 1 5.173 -1.351 11.120
2 HA2 GLY 1 1HA GLY 1 4.975 -3.120 9.553
3 HA3 GLY 1 2HA GLY 1 5.410 -3.933 11.049
4 H SER 2 H SER 2 4.024 -5.365 11.925
5 HA SER 2 HA SER 2 1.567 -5.893 10.439
6 HB2 SER 2 1HB SER 2 3.183 -7.743 10.886
7 HB3 SER 2 2HB SER 2 2.867 -7.554 12.611
8 HG SER 2 HG SER 2 1.605 -9.204 11.456
9 H SER 3 H SER 3 -0.455 -6.143 11.446
10 HA SER 3 HA SER 3 -0.727 -4.579 13.912
11 HB2 SER 3 1HB SER 3 -3.146 -4.453 13.263
12 HB3 SER 3 2HB SER 3 -2.053 -3.735 12.080
13 HG SER 3 HG SER 3 -3.070 -6.380 11.919
14 H GLY 4 H GLY 4 -0.297 -6.087 15.497
15 HA2 GLY 4 1HA GLY 4 -0.576 -7.986 16.789
16 HA3 GLY 4 2HA GLY 4 -2.267 -7.529 16.655
17 H SER 5 H SER 5 -3.256 -9.462 16.474
18 HA SER 5 HA SER 5 -2.263 -11.341 14.444
19 HB2 SER 5 1HB SER 5 -4.144 -11.766 16.777
20 HB3 SER 5 2HB SER 5 -3.725 -13.007 15.596
21 HG SER 5 HG SER 5 -2.314 -13.298 17.236
22 H SER 6 H SER 6 -5.293 -9.931 15.665
23 HA SER 6 HA SER 6 -7.111 -10.903 13.889
24 HB2 SER 6 1HB SER 6 -7.736 -9.398 15.708
25 HB3 SER 6 2HB SER 6 -6.931 -8.054 14.900
26 HG SER 6 HG SER 6 -8.535 -8.923 13.106
27 H GLY 7 H GLY 7 -7.353 -10.888 11.755
28 HA2 GLY 7 1HA GLY 7 -6.280 -8.628 10.213
29 HA3 GLY 7 2HA GLY 7 -5.780 -10.258 9.786
30 H SER 8 H SER 8 -6.958 -8.757 7.878
31 HA SER 8 HA SER 8 -9.309 -10.306 7.280
32 HB2 SER 8 1HB SER 8 -10.360 -8.549 8.582
33 HB3 SER 8 2HB SER 8 -9.527 -7.309 7.645
34 HG SER 8 HG SER 8 -11.740 -8.850 6.993
35 H SER 9 H SER 9 -9.418 -10.679 5.154
36 HA SER 9 HA SER 9 -7.427 -9.568 3.424
37 HB2 SER 9 1HB SER 9 -8.495 -10.999 1.688
38 HB3 SER 9 2HB SER 9 -8.086 -11.890 3.154
39 HG SER 9 HG SER 9 -10.165 -12.108 3.627
40 H THR 10 H THR 10 -10.979 -9.413 3.527
41 HA THR 10 HA THR 10 -11.685 -7.993 1.387
42 HB THR 10 HB THR 10 -12.548 -7.174 4.167
43 HG1 THR 10 HG1 THR 10 -12.973 -9.333 4.007
44 HG21 THR 10 3HG2 THR 10 -14.296 -6.057 3.228
45 HG22 THR 10 1HG2 THR 10 -14.379 -7.134 1.835
46 HG23 THR 10 2HG2 THR 10 -13.143 -5.877 1.906
47 H LYS 11 H LYS 11 -10.725 -6.376 0.355
48 HA LYS 11 HA LYS 11 -9.980 -3.981 1.863
49 HB2 LYS 11 1HB LYS 11 -7.885 -5.124 1.676
50 HB3 LYS 11 2HB LYS 11 -8.169 -5.493 -0.020
51 HG2 LYS 11 1HG LYS 11 -8.266 -2.853 -0.195
52 HG3 LYS 11 2HG LYS 11 -7.263 -2.975 1.252
53 HD2 LYS 11 1HD LYS 11 -5.730 -2.925 -0.519
54 HD3 LYS 11 2HD LYS 11 -5.849 -4.633 -0.091
55 HE2 LYS 11 1HE LYS 11 -5.906 -4.428 -2.484
56 HE3 LYS 11 2HE LYS 11 -7.501 -4.923 -1.918
57 HZ1 LYS 11 3HZ LYS 11 -7.717 -3.214 -3.574
58 HZ2 LYS 11 1HZ LYS 11 -6.689 -2.179 -2.715
59 HZ3 LYS 11 2HZ LYS 11 -8.202 -2.589 -2.079
60 H SER 12 H SER 12 -10.164 -2.063 0.726
61 HA SER 12 HA SER 12 -11.514 -2.298 -1.878
62 HB2 SER 12 1HB SER 12 -12.647 -1.187 0.181
63 HB3 SER 12 2HB SER 12 -11.578 0.173 -0.165
64 HG SER 12 HG SER 12 -12.556 0.460 -2.104
65 H HIS 13 H HIS 13 -9.074 -0.449 -0.102
66 HA HIS 13 HA HIS 13 -7.949 0.393 -2.692
67 HB2 HIS 13 1HB HIS 13 -7.662 2.015 -0.172
68 HB3 HIS 13 2HB HIS 13 -7.397 2.521 -1.838
69 HD1 HIS 13 HD1 HIS 13 -9.481 3.162 -3.229
70 HD2 HIS 13 HD2 HIS 13 -10.318 2.102 0.700
71 HE1 HIS 13 HE1 HIS 13 -11.854 3.892 -2.827
72 H GLN 14 H GLN 14 -5.739 0.291 -2.932
73 HA GLN 14 HA GLN 14 -4.221 -0.838 -0.676
74 HB2 GLN 14 1HB GLN 14 -4.690 -2.635 -2.237
75 HB3 GLN 14 2HB GLN 14 -4.088 -1.670 -3.578
76 HG2 GLN 14 1HG GLN 14 -1.892 -1.630 -2.145
77 HG3 GLN 14 2HG GLN 14 -2.592 -3.083 -1.434
78 HE21 GLN 14 1HE2 GLN 14 -0.209 -2.721 -3.112
79 HE22 GLN 14 2HE2 GLN 14 -0.431 -3.765 -4.471
80 H CYS 15 H CYS 15 -2.123 -0.144 -0.426
81 HA CYS 15 HA CYS 15 -1.470 2.352 -1.724
82 HB2 CYS 15 1HB CYS 15 -1.110 1.918 0.726
83 HB3 CYS 15 2HB CYS 15 0.176 0.801 0.281
84 H HIS 16 H HIS 16 0.444 2.780 -2.889
85 HA HIS 16 HA HIS 16 1.518 0.417 -4.269
86 HB2 HIS 16 1HB HIS 16 1.064 3.256 -5.099
87 HB3 HIS 16 2HB HIS 16 2.325 2.320 -5.897
88 HD1 HIS 16 HD1 HIS 16 1.298 -0.183 -6.729
89 HD2 HIS 16 HD2 HIS 16 -1.284 3.055 -6.401
90 HE1 HIS 16 HE1 HIS 16 -0.694 -0.766 -8.148
91 H GLU 17 H GLU 17 2.319 2.896 -2.083
92 HA GLU 17 HA GLU 17 5.102 3.108 -2.681
93 HB2 GLU 17 1HB GLU 17 3.822 3.703 -0.018
94 HB3 GLU 17 2HB GLU 17 5.277 4.413 -0.704
95 HG2 GLU 17 1HG GLU 17 2.491 4.800 -1.776
96 HG3 GLU 17 2HG GLU 17 3.355 5.939 -0.744
97 H CYS 18 H CYS 18 3.188 1.211 -0.394
98 HA CYS 18 HA CYS 18 5.597 -0.389 0.174
99 HB2 CYS 18 1HB CYS 18 4.538 -0.903 2.388
100 HB3 CYS 18 2HB CYS 18 5.006 0.782 2.185
101 H GLY 19 H GLY 19 2.105 -0.395 -0.319
102 HA2 GLY 19 1HA GLY 19 1.102 -2.101 -1.690
103 HA3 GLY 19 2HA GLY 19 2.314 -3.228 -1.099
104 H ARG 20 H ARG 20 0.425 -0.989 0.864
105 HA ARG 20 HA ARG 20 -0.530 -3.247 2.438
106 HB2 ARG 20 1HB ARG 20 -0.364 -0.289 2.866
107 HB3 ARG 20 2HB ARG 20 -1.493 -1.236 3.826
108 HG2 ARG 20 1HG ARG 20 0.642 -2.729 4.234
109 HG3 ARG 20 2HG ARG 20 1.475 -1.221 3.848
110 HD2 ARG 20 1HD ARG 20 1.234 -1.019 6.124
111 HD3 ARG 20 2HD ARG 20 -0.220 -0.199 5.558
112 HE ARG 20 HE ARG 20 -1.067 -2.733 5.889
113 HH11 ARG 20 1HH1 ARG 20 0.699 -0.549 7.947
114 HH12 ARG 20 2HH1 ARG 20 0.069 -1.217 9.416
115 HH21 ARG 20 1HH2 ARG 20 -1.903 -3.621 7.816
116 HH22 ARG 20 2HH2 ARG 20 -1.410 -2.965 9.341
117 H GLY 21 H GLY 21 -2.849 -2.962 3.327
118 HA2 GLY 21 1HA GLY 21 -4.638 -2.089 1.148
119 HA3 GLY 21 2HA GLY 21 -4.836 -3.663 1.905
120 H PHE 22 H PHE 22 -6.409 -0.990 1.742
121 HA PHE 22 HA PHE 22 -7.179 -1.013 4.577
122 HB2 PHE 22 1HB PHE 22 -6.893 1.457 2.852
123 HB3 PHE 22 2HB PHE 22 -7.531 1.428 4.492
124 HD1 PHE 22 HD1 PHE 22 -6.070 1.105 6.394
125 HD2 PHE 22 HD2 PHE 22 -4.532 1.199 2.426
126 HE1 PHE 22 HE1 PHE 22 -3.795 1.395 7.286
127 HE2 PHE 22 HE2 PHE 22 -2.255 1.488 3.312
128 HZ PHE 22 HZ PHE 22 -1.884 1.585 5.744
129 H THR 23 H THR 23 -9.335 -0.993 4.973
130 HA THR 23 HA THR 23 -11.112 -1.691 2.892
131 HB THR 23 HB THR 23 -12.887 -1.194 4.730
132 HG1 THR 23 HG1 THR 23 -12.033 -1.015 6.798
133 HG21 THR 23 3HG2 THR 23 -12.262 -3.442 4.153
134 HG22 THR 23 1HG2 THR 23 -12.273 -3.308 5.911
135 HG23 THR 23 2HG2 THR 23 -10.742 -3.296 5.034
136 H LEU 24 H LEU 24 -11.021 1.232 4.939
137 HA LEU 24 HA LEU 24 -12.802 2.603 3.099
138 HB2 LEU 24 1HB LEU 24 -11.554 3.399 5.720
139 HB3 LEU 24 2HB LEU 24 -12.557 4.482 4.757
140 HG LEU 24 HG LEU 24 -14.314 2.546 4.969
141 HD11 LEU 24 1HD1 LEU 24 -12.336 1.306 6.302
142 HD12 LEU 24 2HD1 LEU 24 -14.049 1.008 6.595
143 HD13 LEU 24 3HD1 LEU 24 -13.153 2.109 7.642
144 HD21 LEU 24 3HD2 LEU 24 -14.898 3.580 7.297
145 HD22 LEU 24 1HD2 LEU 24 -14.961 4.574 5.841
146 HD23 LEU 24 2HD2 LEU 24 -13.569 4.678 6.920
147 H LYS 25 H LYS 25 -12.277 4.406 1.891
148 HA LYS 25 HA LYS 25 -9.706 4.531 0.790
149 HB2 LYS 25 1HB LYS 25 -11.697 5.319 -0.396
150 HB3 LYS 25 2HB LYS 25 -11.892 6.621 0.770
151 HG2 LYS 25 1HG LYS 25 -10.908 7.606 -1.114
152 HG3 LYS 25 2HG LYS 25 -9.596 7.418 0.052
153 HD2 LYS 25 1HD LYS 25 -8.977 5.292 -1.104
154 HD3 LYS 25 2HD LYS 25 -10.183 5.671 -2.336
155 HE2 LYS 25 1HE LYS 25 -8.337 6.564 -3.333
156 HE3 LYS 25 2HE LYS 25 -8.866 7.964 -2.401
157 HZ1 LYS 25 3HZ LYS 25 -6.500 7.592 -2.144
158 HZ2 LYS 25 1HZ LYS 25 -6.774 6.021 -1.580
159 HZ3 LYS 25 2HZ LYS 25 -7.290 7.349 -0.668
160 H SER 26 H SER 26 -11.267 6.542 3.253
161 HA SER 26 HA SER 26 -9.356 8.512 3.557
162 HB2 SER 26 1HB SER 26 -10.265 8.907 5.737
163 HB3 SER 26 2HB SER 26 -11.598 8.365 4.719
164 HG SER 26 HG SER 26 -11.873 6.976 6.280
165 H HIS 27 H HIS 27 -9.459 5.294 5.037
166 HA HIS 27 HA HIS 27 -7.296 5.489 6.751
167 HB2 HIS 27 1HB HIS 27 -8.325 3.145 5.150
168 HB3 HIS 27 2HB HIS 27 -7.041 2.993 6.346
169 HD1 HIS 27 HD1 HIS 27 -9.839 1.586 6.579
170 HD2 HIS 27 HD2 HIS 27 -8.755 5.129 8.457
171 HE1 HIS 27 HE1 HIS 27 -11.365 1.786 8.568
172 H LEU 28 H LEU 28 -7.211 4.162 3.437
173 HA LEU 28 HA LEU 28 -4.442 3.922 3.248
174 HB2 LEU 28 1HB LEU 28 -5.750 2.822 1.634
175 HB3 LEU 28 2HB LEU 28 -6.590 4.306 1.187
176 HG LEU 28 HG LEU 28 -4.589 5.135 0.085
177 HD11 LEU 28 1HD1 LEU 28 -2.674 3.517 -0.219
178 HD12 LEU 28 2HD1 LEU 28 -3.365 2.587 1.110
179 HD13 LEU 28 3HD1 LEU 28 -2.827 4.245 1.380
180 HD21 LEU 28 3HD2 LEU 28 -5.883 4.020 -1.455
181 HD22 LEU 28 1HD2 LEU 28 -5.685 2.460 -0.656
182 HD23 LEU 28 2HD2 LEU 28 -4.358 3.145 -1.595
183 H ASN 29 H ASN 29 -6.547 6.612 2.269
184 HA ASN 29 HA ASN 29 -4.661 8.279 1.129
185 HB2 ASN 29 1HB ASN 29 -7.068 8.747 1.087
186 HB3 ASN 29 2HB ASN 29 -7.044 9.073 2.818
187 HD21 ASN 29 1HD2 ASN 29 -6.064 10.957 3.576
188 HD22 ASN 29 2HD2 ASN 29 -5.742 12.297 2.534
189 H GLN 30 H GLN 30 -5.734 8.297 4.531
190 HA GLN 30 HA GLN 30 -3.771 10.168 5.364
191 HB2 GLN 30 1HB GLN 30 -5.652 10.058 6.748
192 HB3 GLN 30 2HB GLN 30 -5.631 8.300 6.798
193 HG2 GLN 30 1HG GLN 30 -3.968 8.228 8.387
194 HG3 GLN 30 2HG GLN 30 -3.370 9.837 7.986
195 HE21 GLN 30 1HE2 GLN 30 -3.479 9.860 10.426
196 HE22 GLN 30 2HE2 GLN 30 -4.944 10.446 11.129
197 H HIS 31 H HIS 31 -3.504 6.966 4.466
198 HA HIS 31 HA HIS 31 -1.344 6.311 6.300
199 HB2 HIS 31 1HB HIS 31 -2.515 4.374 5.923
200 HB3 HIS 31 2HB HIS 31 -2.943 4.826 4.275
201 HD1 HIS 31 HD1 HIS 31 -0.302 3.117 6.275
202 HD2 HIS 31 HD2 HIS 31 -1.059 4.113 2.312
203 HE1 HIS 31 HE1 HIS 31 1.364 1.806 4.922
204 H GLN 32 H GLN 32 -1.824 7.012 2.869
205 HA GLN 32 HA GLN 32 0.754 6.498 1.951
206 HB2 GLN 32 1HB GLN 32 -1.486 8.244 1.042
207 HB3 GLN 32 2HB GLN 32 0.095 8.472 0.305
208 HG2 GLN 32 1HG GLN 32 0.133 6.241 -0.504
209 HG3 GLN 32 2HG GLN 32 -1.292 5.810 0.441
210 HE21 GLN 32 1HE2 GLN 32 -2.265 5.085 -1.502
211 HE22 GLN 32 2HE2 GLN 32 -2.956 6.208 -2.618
212 H ARG 33 H ARG 33 -0.282 8.844 4.141
213 HA ARG 33 HA ARG 33 1.469 10.975 3.548
214 HB2 ARG 33 1HB ARG 33 0.539 10.248 6.320
215 HB3 ARG 33 2HB ARG 33 0.913 11.843 5.681
216 HG2 ARG 33 1HG ARG 33 -1.503 10.146 5.211
217 HG3 ARG 33 2HG ARG 33 -1.403 11.817 5.769
218 HD2 ARG 33 1HD ARG 33 -0.655 10.877 3.004
219 HD3 ARG 33 2HD ARG 33 -2.205 11.599 3.433
220 HE ARG 33 HE ARG 33 0.072 13.217 4.124
221 HH11 ARG 33 1HH1 ARG 33 -2.219 12.395 1.636
222 HH12 ARG 33 2HH1 ARG 33 -2.041 13.898 0.793
223 HH21 ARG 33 1HH2 ARG 33 0.316 15.200 3.023
224 HH22 ARG 33 2HH2 ARG 33 -0.598 15.492 1.582
225 H ILE 34 H ILE 34 2.041 7.866 4.799
226 HA ILE 34 HA ILE 34 4.374 8.501 6.343
227 HB ILE 34 HB ILE 34 4.687 6.159 6.613
228 HG12 ILE 34 1HG1 ILE 34 2.759 5.829 4.306
229 HG13 ILE 34 2HG1 ILE 34 4.476 5.441 4.303
230 HG21 ILE 34 1HG2 ILE 34 2.009 7.301 6.863
231 HG22 ILE 34 2HG2 ILE 34 2.038 5.538 6.848
232 HG23 ILE 34 3HG2 ILE 34 2.985 6.425 8.042
233 HD11 ILE 34 3HD1 ILE 34 2.204 3.990 5.562
234 HD12 ILE 34 1HD1 ILE 34 3.533 3.374 4.579
235 HD13 ILE 34 2HD1 ILE 34 3.820 3.844 6.255
236 H HIS 35 H HIS 35 3.733 8.245 3.041
237 HA HIS 35 HA HIS 35 6.579 7.769 2.444
238 HB2 HIS 35 1HB HIS 35 4.341 7.488 0.448
239 HB3 HIS 35 2HB HIS 35 5.977 6.842 0.355
240 HD1 HIS 35 HD1 HIS 35 6.491 4.903 2.216
241 HD2 HIS 35 HD2 HIS 35 2.506 5.718 1.372
242 HE1 HIS 35 HE1 HIS 35 5.207 2.904 3.042
243 H THR 36 H THR 36 3.828 9.860 1.956
244 HA THR 36 HA THR 36 4.675 11.482 -0.106
245 HB THR 36 HB THR 36 3.340 13.293 0.920
246 HG1 THR 36 HG1 THR 36 2.296 12.774 2.948
247 HG21 THR 36 3HG2 THR 36 1.950 11.930 -0.306
248 HG22 THR 36 1HG2 THR 36 1.218 11.779 1.291
249 HG23 THR 36 2HG2 THR 36 2.287 10.512 0.687
250 H GLY 37 H GLY 37 6.463 12.634 -0.389
251 HA2 GLY 37 1HA GLY 37 7.766 14.560 0.365
252 HA3 GLY 37 2HA GLY 37 7.712 13.875 1.982
253 H GLU 38 H GLU 38 9.881 13.691 2.338
254 HA GLU 38 HA GLU 38 11.656 12.556 0.393
255 HB2 GLU 38 1HB GLU 38 12.287 14.263 2.156
256 HB3 GLU 38 2HB GLU 38 12.202 12.960 3.332
257 HG2 GLU 38 1HG GLU 38 14.492 13.492 2.492
258 HG3 GLU 38 2HG GLU 38 14.004 11.807 2.322
259 H LYS 39 H LYS 39 12.701 10.561 0.464
260 HA LYS 39 HA LYS 39 11.355 8.532 2.123
261 HB2 LYS 39 1HB LYS 39 11.925 6.912 0.362
262 HB3 LYS 39 2HB LYS 39 10.929 8.223 -0.256
263 HG2 LYS 39 1HG LYS 39 13.126 9.303 -0.991
264 HG3 LYS 39 2HG LYS 39 13.849 7.719 -0.703
265 HD2 LYS 39 1HD LYS 39 12.589 6.706 -2.386
266 HD3 LYS 39 2HD LYS 39 11.401 8.011 -2.411
267 HE2 LYS 39 1HE LYS 39 13.145 9.519 -3.315
268 HE3 LYS 39 2HE LYS 39 14.256 8.152 -3.376
269 HZ1 LYS 39 3HZ LYS 39 13.294 8.463 -5.524
270 HZ2 LYS 39 1HZ LYS 39 11.724 8.452 -4.895
271 HZ3 LYS 39 2HZ LYS 39 12.654 7.040 -4.870
272 HA PRO 40 HA PRO 40 15.521 8.450 3.895
273 HB2 PRO 40 1HB PRO 40 14.757 7.166 6.162
274 HB3 PRO 40 2HB PRO 40 14.564 8.908 5.933
275 HG2 PRO 40 1HG PRO 40 12.543 6.721 5.623
276 HG3 PRO 40 2HG PRO 40 12.362 8.312 6.386
277 HD2 PRO 40 1HD PRO 40 11.476 7.788 3.882
278 HD3 PRO 40 2HD PRO 40 12.075 9.387 4.368
279 H SER 41 H SER 41 13.458 6.055 2.729
280 HA SER 41 HA SER 41 14.559 3.670 3.617
281 HB2 SER 41 1HB SER 41 13.263 4.454 1.015
282 HB3 SER 41 2HB SER 41 13.852 2.814 1.282
283 HG SER 41 HG SER 41 12.193 2.446 2.513
284 H GLY 42 H GLY 42 16.118 2.245 2.719
285 HA2 GLY 42 1HA GLY 42 18.363 3.679 1.500
286 HA3 GLY 42 2HA GLY 42 18.446 2.119 2.306
287 HA PRO 43 HA PRO 43 18.477 0.128 -1.599
288 HB2 PRO 43 1HB PRO 43 17.312 -2.242 -0.972
289 HB3 PRO 43 2HB PRO 43 18.950 -1.813 -0.465
290 HG2 PRO 43 1HG PRO 43 16.393 -1.685 1.086
291 HG3 PRO 43 2HG PRO 43 17.989 -2.258 1.605
292 HD2 PRO 43 1HD PRO 43 17.045 0.199 2.241
293 HD3 PRO 43 2HD PRO 43 18.772 -0.124 1.982
294 H SER 44 H SER 44 17.089 -0.847 -3.257
295 HA SER 44 HA SER 44 14.336 0.180 -3.075
296 HB2 SER 44 1HB SER 44 16.135 -0.235 -5.471
297 HB3 SER 44 2HB SER 44 14.423 0.171 -5.595
298 HG SER 44 HG SER 44 15.153 1.978 -4.060
299 H SER 45 H SER 45 12.616 -1.103 -3.653
300 HA SER 45 HA SER 45 13.154 -3.848 -4.513
301 HB2 SER 45 1HB SER 45 11.829 -4.832 -2.773
302 HB3 SER 45 2HB SER 45 13.000 -3.770 -1.992
303 HG SER 45 HG SER 45 10.242 -3.328 -2.428
304 H GLY 46 H GLY 46 10.917 -5.001 -4.832
305 HA2 GLY 46 1HA GLY 46 9.612 -4.083 -6.975
306 HA3 GLY 46 2HA GLY 46 8.768 -4.983 -5.724
Start of MODEL 14
1 H1 GLY 1 H GLY 1 2.082 -16.997 4.624
2 HA2 GLY 1 1HA GLY 1 4.699 -17.303 5.954
3 HA3 GLY 1 2HA GLY 1 3.325 -16.618 6.809
4 H SER 2 H SER 2 2.055 -17.957 7.920
5 HA SER 2 HA SER 2 2.527 -20.833 7.629
6 HB2 SER 2 1HB SER 2 1.269 -19.209 9.849
7 HB3 SER 2 2HB SER 2 1.333 -20.972 9.843
8 HG SER 2 HG SER 2 3.140 -19.451 10.807
9 H SER 3 H SER 3 -0.144 -18.506 7.884
10 HA SER 3 HA SER 3 -1.912 -20.532 6.677
11 HB2 SER 3 1HB SER 3 -2.374 -18.477 8.791
12 HB3 SER 3 2HB SER 3 -3.708 -18.857 7.702
13 HG SER 3 HG SER 3 -4.012 -20.493 8.979
14 H GLY 4 H GLY 4 -1.673 -16.978 6.967
15 HA2 GLY 4 1HA GLY 4 -1.240 -15.742 4.860
16 HA3 GLY 4 2HA GLY 4 -2.401 -16.824 4.107
17 H SER 5 H SER 5 -4.610 -16.818 5.297
18 HA SER 5 HA SER 5 -5.917 -14.486 4.867
19 HB2 SER 5 1HB SER 5 -6.924 -16.734 5.486
20 HB3 SER 5 2HB SER 5 -6.652 -16.295 7.172
21 HG SER 5 HG SER 5 -8.669 -15.596 6.769
22 H SER 6 H SER 6 -5.525 -12.509 5.591
23 HA SER 6 HA SER 6 -4.708 -12.169 8.401
24 HB2 SER 6 1HB SER 6 -3.705 -10.019 7.673
25 HB3 SER 6 2HB SER 6 -2.998 -11.404 6.841
26 HG SER 6 HG SER 6 -4.962 -10.715 5.324
27 H GLY 7 H GLY 7 -7.409 -12.493 7.816
28 HA2 GLY 7 1HA GLY 7 -9.266 -11.425 8.804
29 HA3 GLY 7 2HA GLY 7 -8.418 -9.890 8.685
30 H SER 8 H SER 8 -8.320 -8.833 6.624
31 HA SER 8 HA SER 8 -10.736 -9.301 5.074
32 HB2 SER 8 1HB SER 8 -8.741 -7.048 5.208
33 HB3 SER 8 2HB SER 8 -9.943 -7.134 3.919
34 HG SER 8 HG SER 8 -10.456 -7.057 6.711
35 H SER 9 H SER 9 -10.208 -11.168 3.918
36 HA SER 9 HA SER 9 -8.016 -11.936 2.588
37 HB2 SER 9 1HB SER 9 -9.520 -12.869 0.796
38 HB3 SER 9 2HB SER 9 -10.019 -13.257 2.442
39 HG SER 9 HG SER 9 -11.302 -11.790 0.528
40 H THR 10 H THR 10 -10.406 -9.705 1.166
41 HA THR 10 HA THR 10 -8.283 -8.733 -0.634
42 HB THR 10 HB THR 10 -10.078 -8.070 -2.205
43 HG1 THR 10 HG1 THR 10 -11.676 -8.249 -0.268
44 HG21 THR 10 3HG2 THR 10 -10.801 -10.861 -1.979
45 HG22 THR 10 1HG2 THR 10 -9.072 -10.628 -1.727
46 HG23 THR 10 2HG2 THR 10 -9.833 -10.049 -3.209
47 H LYS 11 H LYS 11 -8.789 -6.441 -1.446
48 HA LYS 11 HA LYS 11 -10.067 -4.777 0.587
49 HB2 LYS 11 1HB LYS 11 -8.183 -3.378 0.932
50 HB3 LYS 11 2HB LYS 11 -7.604 -5.027 1.118
51 HG2 LYS 11 1HG LYS 11 -7.392 -3.745 -1.555
52 HG3 LYS 11 2HG LYS 11 -6.267 -3.256 -0.285
53 HD2 LYS 11 1HD LYS 11 -6.726 -6.157 -0.867
54 HD3 LYS 11 2HD LYS 11 -5.629 -5.209 -1.874
55 HE2 LYS 11 1HE LYS 11 -4.394 -4.555 0.172
56 HE3 LYS 11 2HE LYS 11 -5.446 -5.614 1.110
57 HZ1 LYS 11 3HZ LYS 11 -4.404 -7.450 0.370
58 HZ2 LYS 11 1HZ LYS 11 -3.117 -6.386 0.096
59 HZ3 LYS 11 2HZ LYS 11 -4.135 -6.828 -1.180
60 H SER 12 H SER 12 -10.265 -2.490 -0.136
61 HA SER 12 HA SER 12 -10.979 -2.445 -2.957
62 HB2 SER 12 1HB SER 12 -12.413 -1.572 -0.943
63 HB3 SER 12 2HB SER 12 -11.409 -0.130 -1.098
64 HG SER 12 HG SER 12 -12.204 0.223 -3.102
65 H HIS 13 H HIS 13 -9.167 -0.365 -0.698
66 HA HIS 13 HA HIS 13 -7.694 0.716 -3.005
67 HB2 HIS 13 1HB HIS 13 -7.754 1.961 -0.265
68 HB3 HIS 13 2HB HIS 13 -7.348 2.716 -1.804
69 HD1 HIS 13 HD1 HIS 13 -9.429 3.084 -3.470
70 HD2 HIS 13 HD2 HIS 13 -10.368 2.203 0.480
71 HE1 HIS 13 HE1 HIS 13 -11.837 3.750 -3.187
72 H GLN 14 H GLN 14 -5.624 0.190 -3.236
73 HA GLN 14 HA GLN 14 -4.168 -0.824 -0.884
74 HB2 GLN 14 1HB GLN 14 -4.525 -2.713 -2.259
75 HB3 GLN 14 2HB GLN 14 -4.173 -1.812 -3.727
76 HG2 GLN 14 1HG GLN 14 -2.019 -2.051 -1.705
77 HG3 GLN 14 2HG GLN 14 -2.436 -3.483 -2.644
78 HE21 GLN 14 1HE2 GLN 14 -0.377 -3.418 -3.610
79 HE22 GLN 14 2HE2 GLN 14 -0.011 -2.290 -4.866
80 H CYS 15 H CYS 15 -2.172 -0.021 -0.500
81 HA CYS 15 HA CYS 15 -1.395 2.374 -1.837
82 HB2 CYS 15 1HB CYS 15 -1.017 1.802 0.615
83 HB3 CYS 15 2HB CYS 15 0.305 0.774 0.074
84 H HIS 16 H HIS 16 0.600 2.767 -2.937
85 HA HIS 16 HA HIS 16 1.555 0.408 -4.413
86 HB2 HIS 16 1HB HIS 16 0.628 1.911 -5.972
87 HB3 HIS 16 2HB HIS 16 1.325 3.313 -5.166
88 HD1 HIS 16 HD1 HIS 16 2.288 0.433 -7.399
89 HD2 HIS 16 HD2 HIS 16 3.845 4.030 -6.021
90 HE1 HIS 16 HE1 HIS 16 4.374 0.824 -8.749
91 H GLU 17 H GLU 17 2.459 2.840 -2.198
92 HA GLU 17 HA GLU 17 5.255 2.898 -2.800
93 HB2 GLU 17 1HB GLU 17 3.965 3.639 -0.176
94 HB3 GLU 17 2HB GLU 17 5.496 4.214 -0.822
95 HG2 GLU 17 1HG GLU 17 2.770 4.818 -1.944
96 HG3 GLU 17 2HG GLU 17 3.764 5.912 -0.985
97 H CYS 18 H CYS 18 3.215 1.134 -0.525
98 HA CYS 18 HA CYS 18 5.526 -0.585 0.095
99 HB2 CYS 18 1HB CYS 18 4.535 -0.951 2.336
100 HB3 CYS 18 2HB CYS 18 4.976 0.732 2.062
101 H GLY 19 H GLY 19 2.026 -0.377 -0.329
102 HA2 GLY 19 1HA GLY 19 0.820 -2.005 -1.587
103 HA3 GLY 19 2HA GLY 19 2.042 -3.193 -1.162
104 H ARG 20 H ARG 20 -0.006 -0.976 0.736
105 HA ARG 20 HA ARG 20 -0.649 -3.213 2.513
106 HB2 ARG 20 1HB ARG 20 -0.644 -0.240 2.801
107 HB3 ARG 20 2HB ARG 20 -1.724 -1.182 3.820
108 HG2 ARG 20 1HG ARG 20 0.403 -2.561 4.366
109 HG3 ARG 20 2HG ARG 20 1.259 -1.142 3.758
110 HD2 ARG 20 1HD ARG 20 -0.423 0.105 5.380
111 HD3 ARG 20 2HD ARG 20 -0.420 -1.461 6.190
112 HE ARG 20 HE ARG 20 2.192 -0.361 5.604
113 HH11 ARG 20 1HH1 ARG 20 -0.391 -0.671 7.917
114 HH12 ARG 20 2HH1 ARG 20 0.614 -0.318 9.283
115 HH21 ARG 20 1HH2 ARG 20 3.526 0.105 7.394
116 HH22 ARG 20 2HH2 ARG 20 2.842 0.125 8.984
117 H GLY 21 H GLY 21 -2.951 -3.045 3.484
118 HA2 GLY 21 1HA GLY 21 -4.860 -2.498 1.296
119 HA3 GLY 21 2HA GLY 21 -4.952 -3.959 2.269
120 H PHE 22 H PHE 22 -6.331 -1.042 1.830
121 HA PHE 22 HA PHE 22 -7.169 -0.869 4.650
122 HB2 PHE 22 1HB PHE 22 -6.899 1.402 2.668
123 HB3 PHE 22 2HB PHE 22 -7.501 1.551 4.316
124 HD1 PHE 22 HD1 PHE 22 -5.996 1.381 6.213
125 HD2 PHE 22 HD2 PHE 22 -4.554 1.118 2.217
126 HE1 PHE 22 HE1 PHE 22 -3.701 1.744 7.021
127 HE2 PHE 22 HE2 PHE 22 -2.256 1.479 3.019
128 HZ PHE 22 HZ PHE 22 -1.827 1.792 5.424
129 H THR 23 H THR 23 -9.295 -0.979 5.050
130 HA THR 23 HA THR 23 -11.095 -1.712 2.983
131 HB THR 23 HB THR 23 -11.678 -0.918 5.842
132 HG1 THR 23 HG1 THR 23 -10.367 -2.785 5.656
133 HG21 THR 23 3HG2 THR 23 -13.681 -0.722 4.498
134 HG22 THR 23 1HG2 THR 23 -13.792 -2.169 5.499
135 HG23 THR 23 2HG2 THR 23 -13.398 -2.310 3.786
136 H LEU 24 H LEU 24 -10.844 1.202 5.012
137 HA LEU 24 HA LEU 24 -12.787 2.557 3.301
138 HB2 LEU 24 1HB LEU 24 -11.588 3.133 5.980
139 HB3 LEU 24 2HB LEU 24 -12.353 4.423 5.054
140 HG LEU 24 HG LEU 24 -13.758 1.875 5.838
141 HD11 LEU 24 1HD1 LEU 24 -14.416 4.412 7.188
142 HD12 LEU 24 2HD1 LEU 24 -12.894 3.653 7.654
143 HD13 LEU 24 3HD1 LEU 24 -14.408 2.760 7.807
144 HD21 LEU 24 3HD2 LEU 24 -14.761 4.533 4.824
145 HD22 LEU 24 1HD2 LEU 24 -15.771 3.177 5.324
146 HD23 LEU 24 2HD2 LEU 24 -14.717 3.020 3.919
147 H LYS 25 H LYS 25 -12.262 4.081 1.856
148 HA LYS 25 HA LYS 25 -9.768 4.394 0.787
149 HB2 LYS 25 1HB LYS 25 -11.678 5.212 -0.397
150 HB3 LYS 25 2HB LYS 25 -12.062 6.352 0.886
151 HG2 LYS 25 1HG LYS 25 -11.118 7.647 -0.814
152 HG3 LYS 25 2HG LYS 25 -9.824 7.445 0.370
153 HD2 LYS 25 1HD LYS 25 -8.778 7.049 -1.681
154 HD3 LYS 25 2HD LYS 25 -9.108 5.432 -1.056
155 HE2 LYS 25 1HE LYS 25 -9.835 5.232 -3.230
156 HE3 LYS 25 2HE LYS 25 -11.329 5.678 -2.407
157 HZ1 LYS 25 3HZ LYS 25 -10.029 7.016 -4.501
158 HZ2 LYS 25 1HZ LYS 25 -10.021 8.031 -3.147
159 HZ3 LYS 25 2HZ LYS 25 -11.484 7.421 -3.739
160 H SER 26 H SER 26 -11.292 6.671 3.073
161 HA SER 26 HA SER 26 -9.353 8.513 3.425
162 HB2 SER 26 1HB SER 26 -10.083 8.695 5.807
163 HB3 SER 26 2HB SER 26 -11.428 8.630 4.669
164 HG SER 26 HG SER 26 -11.152 7.126 6.728
165 H HIS 27 H HIS 27 -9.491 5.471 5.282
166 HA HIS 27 HA HIS 27 -7.263 5.618 6.797
167 HB2 HIS 27 1HB HIS 27 -8.229 3.237 5.206
168 HB3 HIS 27 2HB HIS 27 -7.001 3.138 6.464
169 HD1 HIS 27 HD1 HIS 27 -9.672 1.605 6.694
170 HD2 HIS 27 HD2 HIS 27 -8.962 5.351 8.345
171 HE1 HIS 27 HE1 HIS 27 -11.320 1.832 8.580
172 H LEU 28 H LEU 28 -7.153 4.115 3.561
173 HA LEU 28 HA LEU 28 -4.433 3.906 3.290
174 HB2 LEU 28 1HB LEU 28 -5.713 2.898 1.629
175 HB3 LEU 28 2HB LEU 28 -6.621 4.373 1.302
176 HG LEU 28 HG LEU 28 -4.497 5.323 0.323
177 HD11 LEU 28 1HD1 LEU 28 -2.866 3.584 -0.461
178 HD12 LEU 28 2HD1 LEU 28 -3.633 2.460 0.661
179 HD13 LEU 28 3HD1 LEU 28 -2.840 3.912 1.272
180 HD21 LEU 28 3HD2 LEU 28 -6.423 4.344 -0.970
181 HD22 LEU 28 1HD2 LEU 28 -5.492 2.850 -1.074
182 HD23 LEU 28 2HD2 LEU 28 -4.865 4.330 -1.799
183 H ASN 29 H ASN 29 -6.450 6.686 2.367
184 HA ASN 29 HA ASN 29 -4.484 8.323 1.313
185 HB2 ASN 29 1HB ASN 29 -7.047 8.677 1.474
186 HB3 ASN 29 2HB ASN 29 -6.693 9.437 3.022
187 HD21 ASN 29 1HD2 ASN 29 -7.613 10.349 0.243
188 HD22 ASN 29 2HD2 ASN 29 -6.625 11.732 -0.068
189 H GLN 30 H GLN 30 -5.649 8.259 4.683
190 HA GLN 30 HA GLN 30 -3.731 10.098 5.645
191 HB2 GLN 30 1HB GLN 30 -5.979 9.161 6.689
192 HB3 GLN 30 2HB GLN 30 -4.879 8.020 7.451
193 HG2 GLN 30 1HG GLN 30 -4.894 9.625 9.046
194 HG3 GLN 30 2HG GLN 30 -3.574 10.237 8.052
195 HE21 GLN 30 1HE2 GLN 30 -5.813 11.405 9.827
196 HE22 GLN 30 2HE2 GLN 30 -6.419 12.714 8.877
197 H HIS 31 H HIS 31 -3.340 6.987 4.538
198 HA HIS 31 HA HIS 31 -1.136 6.341 6.346
199 HB2 HIS 31 1HB HIS 31 -2.281 4.378 6.025
200 HB3 HIS 31 2HB HIS 31 -2.783 4.811 4.394
201 HD1 HIS 31 HD1 HIS 31 0.063 3.287 6.297
202 HD2 HIS 31 HD2 HIS 31 -1.055 4.010 2.362
203 HE1 HIS 31 HE1 HIS 31 1.680 1.975 4.887
204 H GLN 32 H GLN 32 -1.756 6.838 2.885
205 HA GLN 32 HA GLN 32 0.783 6.431 1.886
206 HB2 GLN 32 1HB GLN 32 -1.389 8.337 1.036
207 HB3 GLN 32 2HB GLN 32 0.110 8.163 0.132
208 HG2 GLN 32 1HG GLN 32 -0.456 5.657 0.086
209 HG3 GLN 32 2HG GLN 32 -2.080 6.168 0.544
210 HE21 GLN 32 1HE2 GLN 32 -1.839 4.857 -1.757
211 HE22 GLN 32 2HE2 GLN 32 -2.017 5.919 -3.108
212 H ARG 33 H ARG 33 -0.477 9.164 3.657
213 HA ARG 33 HA ARG 33 1.407 11.109 3.064
214 HB2 ARG 33 1HB ARG 33 0.938 11.905 5.459
215 HB3 ARG 33 2HB ARG 33 -0.424 11.806 4.351
216 HG2 ARG 33 1HG ARG 33 -1.274 9.888 5.383
217 HG3 ARG 33 2HG ARG 33 0.246 9.559 6.217
218 HD2 ARG 33 1HD ARG 33 -1.440 11.998 6.738
219 HD3 ARG 33 2HD ARG 33 -1.601 10.497 7.647
220 HE ARG 33 HE ARG 33 0.411 12.480 7.975
221 HH11 ARG 33 1HH1 ARG 33 -0.173 9.053 8.144
222 HH12 ARG 33 2HH1 ARG 33 1.087 8.763 9.297
223 HH21 ARG 33 1HH2 ARG 33 2.072 12.112 9.494
224 HH22 ARG 33 2HH2 ARG 33 2.363 10.504 10.065
225 H ILE 34 H ILE 34 1.761 8.191 4.853
226 HA ILE 34 HA ILE 34 3.980 8.898 6.456
227 HB ILE 34 HB ILE 34 4.238 6.620 6.935
228 HG12 ILE 34 1HG1 ILE 34 2.774 5.999 4.360
229 HG13 ILE 34 2HG1 ILE 34 4.509 5.844 4.613
230 HG21 ILE 34 1HG2 ILE 34 1.585 5.900 6.583
231 HG22 ILE 34 2HG2 ILE 34 2.273 6.737 7.974
232 HG23 ILE 34 3HG2 ILE 34 1.552 7.662 6.656
233 HD11 ILE 34 3HD1 ILE 34 2.284 4.159 5.645
234 HD12 ILE 34 1HD1 ILE 34 3.798 3.683 4.878
235 HD13 ILE 34 2HD1 ILE 34 3.796 4.255 6.547
236 H HIS 35 H HIS 35 3.657 8.104 3.109
237 HA HIS 35 HA HIS 35 6.514 7.617 2.792
238 HB2 HIS 35 1HB HIS 35 4.372 7.683 0.660
239 HB3 HIS 35 2HB HIS 35 6.001 7.031 0.506
240 HD1 HIS 35 HD1 HIS 35 6.441 4.968 2.354
241 HD2 HIS 35 HD2 HIS 35 2.544 5.762 1.150
242 HE1 HIS 35 HE1 HIS 35 5.135 2.886 2.886
243 H THR 36 H THR 36 5.300 10.264 3.544
244 HA THR 36 HA THR 36 7.020 11.907 2.016
245 HB THR 36 HB THR 36 5.411 11.749 0.245
246 HG1 THR 36 HG1 THR 36 6.027 13.821 0.261
247 HG21 THR 36 3HG2 THR 36 3.079 12.942 1.277
248 HG22 THR 36 1HG2 THR 36 3.523 11.662 2.405
249 HG23 THR 36 2HG2 THR 36 3.279 11.288 0.698
250 H GLY 37 H GLY 37 7.671 13.329 3.485
251 HA2 GLY 37 1HA GLY 37 5.747 14.894 4.973
252 HA3 GLY 37 2HA GLY 37 6.709 13.807 5.964
253 H GLU 38 H GLU 38 9.081 14.027 5.803
254 HA GLU 38 HA GLU 38 9.785 16.864 5.589
255 HB2 GLU 38 1HB GLU 38 11.288 14.593 6.904
256 HB3 GLU 38 2HB GLU 38 11.743 16.291 6.950
257 HG2 GLU 38 1HG GLU 38 9.094 15.354 7.986
258 HG3 GLU 38 2HG GLU 38 10.549 15.304 8.980
259 H LYS 39 H LYS 39 11.172 17.612 4.106
260 HA LYS 39 HA LYS 39 12.460 15.645 2.333
261 HB2 LYS 39 1HB LYS 39 12.530 17.578 0.695
262 HB3 LYS 39 2HB LYS 39 10.934 16.938 1.062
263 HG2 LYS 39 1HG LYS 39 10.553 18.782 2.621
264 HG3 LYS 39 2HG LYS 39 12.152 19.427 2.242
265 HD2 LYS 39 1HD LYS 39 10.021 18.974 0.162
266 HD3 LYS 39 2HD LYS 39 10.217 20.501 1.027
267 HE2 LYS 39 1HE LYS 39 12.406 19.168 -0.559
268 HE3 LYS 39 2HE LYS 39 11.335 20.407 -1.212
269 HZ1 LYS 39 3HZ LYS 39 12.689 21.925 -0.376
270 HZ2 LYS 39 1HZ LYS 39 13.665 20.736 0.330
271 HZ3 LYS 39 2HZ LYS 39 12.355 21.374 1.189
272 HA PRO 40 HA PRO 40 15.917 17.695 4.625
273 HB2 PRO 40 1HB PRO 40 17.374 15.422 4.904
274 HB3 PRO 40 2HB PRO 40 16.106 15.896 6.041
275 HG2 PRO 40 1HG PRO 40 15.988 13.937 3.780
276 HG3 PRO 40 2HG PRO 40 15.329 13.794 5.420
277 HD2 PRO 40 1HD PRO 40 13.797 14.452 3.286
278 HD3 PRO 40 2HD PRO 40 13.473 15.066 4.921
279 H SER 41 H SER 41 15.791 15.501 1.888
280 HA SER 41 HA SER 41 17.528 17.090 0.325
281 HB2 SER 41 1HB SER 41 19.332 16.201 1.627
282 HB3 SER 41 2HB SER 41 18.693 14.562 1.504
283 HG SER 41 HG SER 41 19.995 14.443 -0.145
284 H GLY 42 H GLY 42 16.678 16.865 -1.628
285 HA2 GLY 42 1HA GLY 42 16.521 14.439 -3.025
286 HA3 GLY 42 2HA GLY 42 14.931 14.781 -2.358
287 HA PRO 43 HA PRO 43 15.440 16.890 -6.507
288 HB2 PRO 43 1HB PRO 43 13.267 15.747 -7.665
289 HB3 PRO 43 2HB PRO 43 14.874 15.012 -7.704
290 HG2 PRO 43 1HG PRO 43 12.557 14.406 -5.907
291 HG3 PRO 43 2HG PRO 43 13.662 13.286 -6.724
292 HD2 PRO 43 1HD PRO 43 13.918 13.936 -4.108
293 HD3 PRO 43 2HD PRO 43 15.313 13.560 -5.139
294 H SER 44 H SER 44 14.093 18.527 -7.373
295 HA SER 44 HA SER 44 12.187 19.583 -5.439
296 HB2 SER 44 1HB SER 44 13.974 21.041 -6.395
297 HB3 SER 44 2HB SER 44 13.224 20.861 -7.980
298 HG SER 44 HG SER 44 11.519 22.035 -7.328
299 H SER 45 H SER 45 10.147 20.540 -6.217
300 HA SER 45 HA SER 45 8.912 18.783 -8.219
301 HB2 SER 45 1HB SER 45 7.760 20.369 -5.924
302 HB3 SER 45 2HB SER 45 6.749 19.633 -7.168
303 HG SER 45 HG SER 45 6.983 18.238 -5.396
304 H GLY 46 H GLY 46 7.021 19.850 -9.414
305 HA2 GLY 46 1HA GLY 46 6.921 22.614 -9.865
306 HA3 GLY 46 2HA GLY 46 8.040 21.920 -11.029
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -4.985 -26.616 -16.549
2 HA2 GLY 1 1HA GLY 1 -2.564 -27.106 -17.514
3 HA3 GLY 1 2HA GLY 1 -3.337 -26.452 -18.951
4 H SER 2 H SER 2 -4.792 -24.387 -18.114
5 HA SER 2 HA SER 2 -2.956 -22.331 -17.767
6 HB2 SER 2 1HB SER 2 -4.887 -20.881 -17.348
7 HB3 SER 2 2HB SER 2 -5.230 -22.001 -18.666
8 HG SER 2 HG SER 2 -5.981 -23.213 -16.468
9 H SER 3 H SER 3 -2.339 -21.061 -16.026
10 HA SER 3 HA SER 3 -3.292 -21.586 -13.366
11 HB2 SER 3 1HB SER 3 -1.341 -22.529 -12.416
12 HB3 SER 3 2HB SER 3 -1.616 -23.454 -13.893
13 HG SER 3 HG SER 3 0.507 -21.947 -13.200
14 H GLY 4 H GLY 4 -1.907 -20.319 -11.730
15 HA2 GLY 4 1HA GLY 4 -0.109 -18.383 -12.134
16 HA3 GLY 4 2HA GLY 4 -1.543 -17.658 -12.844
17 H SER 5 H SER 5 -0.569 -16.224 -10.907
18 HA SER 5 HA SER 5 -2.311 -16.795 -8.603
19 HB2 SER 5 1HB SER 5 -0.574 -15.752 -7.143
20 HB3 SER 5 2HB SER 5 -0.037 -17.252 -7.899
21 HG SER 5 HG SER 5 0.829 -14.649 -8.295
22 H SER 6 H SER 6 -3.106 -15.252 -10.760
23 HA SER 6 HA SER 6 -2.708 -12.462 -10.031
24 HB2 SER 6 1HB SER 6 -3.918 -11.939 -12.070
25 HB3 SER 6 2HB SER 6 -2.702 -13.167 -12.423
26 HG SER 6 HG SER 6 -5.159 -14.163 -11.680
27 H GLY 7 H GLY 7 -3.963 -13.847 -8.014
28 HA2 GLY 7 1HA GLY 7 -6.695 -12.733 -8.149
29 HA3 GLY 7 2HA GLY 7 -6.380 -14.308 -7.436
30 H SER 8 H SER 8 -4.787 -11.132 -7.151
31 HA SER 8 HA SER 8 -4.908 -11.445 -4.231
32 HB2 SER 8 1HB SER 8 -2.651 -11.185 -5.157
33 HB3 SER 8 2HB SER 8 -3.128 -9.668 -5.919
34 HG SER 8 HG SER 8 -2.159 -9.979 -3.514
35 H SER 9 H SER 9 -7.215 -10.609 -5.635
36 HA SER 9 HA SER 9 -7.384 -7.725 -5.233
37 HB2 SER 9 1HB SER 9 -9.701 -8.024 -6.181
38 HB3 SER 9 2HB SER 9 -8.398 -8.515 -7.264
39 HG SER 9 HG SER 9 -10.199 -10.117 -5.808
40 H THR 10 H THR 10 -6.940 -8.973 -2.864
41 HA THR 10 HA THR 10 -9.533 -9.279 -1.544
42 HB THR 10 HB THR 10 -7.783 -10.975 -1.095
43 HG1 THR 10 HG1 THR 10 -8.620 -11.130 0.843
44 HG21 THR 10 3HG2 THR 10 -5.708 -10.017 -1.080
45 HG22 THR 10 1HG2 THR 10 -6.026 -10.017 0.654
46 HG23 THR 10 2HG2 THR 10 -6.271 -8.546 -0.288
47 H LYS 11 H LYS 11 -8.939 -6.691 -2.420
48 HA LYS 11 HA LYS 11 -9.363 -5.207 -0.059
49 HB2 LYS 11 1HB LYS 11 -6.772 -5.745 -0.171
50 HB3 LYS 11 2HB LYS 11 -6.771 -4.394 -1.297
51 HG2 LYS 11 1HG LYS 11 -6.387 -3.248 0.614
52 HG3 LYS 11 2HG LYS 11 -8.151 -3.259 0.668
53 HD2 LYS 11 1HD LYS 11 -6.537 -5.439 1.952
54 HD3 LYS 11 2HD LYS 11 -6.860 -3.921 2.794
55 HE2 LYS 11 1HE LYS 11 -8.879 -5.900 1.748
56 HE3 LYS 11 2HE LYS 11 -8.527 -5.525 3.434
57 HZ1 LYS 11 3HZ LYS 11 -9.921 -3.863 1.431
58 HZ2 LYS 11 1HZ LYS 11 -9.224 -3.166 2.806
59 HZ3 LYS 11 2HZ LYS 11 -10.443 -4.326 2.972
60 H SER 12 H SER 12 -9.972 -3.069 -0.477
61 HA SER 12 HA SER 12 -10.662 -2.567 -3.254
62 HB2 SER 12 1HB SER 12 -11.476 -1.362 -0.626
63 HB3 SER 12 2HB SER 12 -11.802 -0.505 -2.133
64 HG SER 12 HG SER 12 -12.500 -3.171 -2.140
65 H HIS 13 H HIS 13 -9.126 -0.709 -0.623
66 HA HIS 13 HA HIS 13 -7.732 0.877 -2.674
67 HB2 HIS 13 1HB HIS 13 -8.024 1.651 0.223
68 HB3 HIS 13 2HB HIS 13 -7.630 2.683 -1.148
69 HD1 HIS 13 HD1 HIS 13 -9.685 2.979 -2.924
70 HD2 HIS 13 HD2 HIS 13 -10.654 1.655 0.893
71 HE1 HIS 13 HE1 HIS 13 -12.153 3.392 -2.675
72 H GLN 14 H GLN 14 -5.808 -0.045 -3.047
73 HA GLN 14 HA GLN 14 -4.195 -0.876 -0.728
74 HB2 GLN 14 1HB GLN 14 -4.702 -2.682 -2.323
75 HB3 GLN 14 2HB GLN 14 -3.961 -1.745 -3.614
76 HG2 GLN 14 1HG GLN 14 -1.813 -1.847 -2.436
77 HG3 GLN 14 2HG GLN 14 -2.565 -2.824 -1.176
78 HE21 GLN 14 1HE2 GLN 14 -1.056 -2.818 -4.208
79 HE22 GLN 14 2HE2 GLN 14 -1.247 -4.494 -4.578
80 H CYS 15 H CYS 15 -2.117 -0.135 -0.488
81 HA CYS 15 HA CYS 15 -1.505 2.353 -1.793
82 HB2 CYS 15 1HB CYS 15 -1.043 1.960 0.615
83 HB3 CYS 15 2HB CYS 15 0.159 0.754 0.164
84 H HIS 16 H HIS 16 0.594 2.795 -2.794
85 HA HIS 16 HA HIS 16 1.509 0.493 -4.386
86 HB2 HIS 16 1HB HIS 16 1.688 3.433 -5.077
87 HB3 HIS 16 2HB HIS 16 2.145 2.087 -6.117
88 HD1 HIS 16 HD1 HIS 16 0.258 0.814 -7.305
89 HD2 HIS 16 HD2 HIS 16 -1.080 3.892 -4.857
90 HE1 HIS 16 HE1 HIS 16 -2.167 1.133 -7.891
91 H GLU 17 H GLU 17 2.466 3.017 -2.222
92 HA GLU 17 HA GLU 17 5.245 3.005 -2.772
93 HB2 GLU 17 1HB GLU 17 3.982 3.664 -0.114
94 HB3 GLU 17 2HB GLU 17 5.499 4.267 -0.766
95 HG2 GLU 17 1HG GLU 17 2.756 4.887 -1.839
96 HG3 GLU 17 2HG GLU 17 3.745 5.955 -0.844
97 H CYS 18 H CYS 18 3.217 1.206 -0.505
98 HA CYS 18 HA CYS 18 5.521 -0.550 0.038
99 HB2 CYS 18 1HB CYS 18 4.573 -0.966 2.274
100 HB3 CYS 18 2HB CYS 18 4.959 0.735 2.037
101 H GLY 19 H GLY 19 2.016 -0.321 -0.348
102 HA2 GLY 19 1HA GLY 19 0.895 -1.953 -1.742
103 HA3 GLY 19 2HA GLY 19 2.018 -3.162 -1.138
104 H ARG 20 H ARG 20 0.700 -0.903 1.111
105 HA ARG 20 HA ARG 20 -0.480 -2.985 2.656
106 HB2 ARG 20 1HB ARG 20 -0.188 -0.036 2.898
107 HB3 ARG 20 2HB ARG 20 -1.462 -0.799 3.839
108 HG2 ARG 20 1HG ARG 20 0.514 -2.436 4.496
109 HG3 ARG 20 2HG ARG 20 1.481 -1.013 4.099
110 HD2 ARG 20 1HD ARG 20 0.965 -0.987 6.451
111 HD3 ARG 20 2HD ARG 20 0.085 0.315 5.652
112 HE ARG 20 HE ARG 20 -1.708 -1.699 5.665
113 HH11 ARG 20 1HH1 ARG 20 0.270 -0.268 8.147
114 HH12 ARG 20 2HH1 ARG 20 -0.861 -0.593 9.418
115 HH21 ARG 20 1HH2 ARG 20 -3.206 -2.132 7.331
116 HH22 ARG 20 2HH2 ARG 20 -2.837 -1.654 8.953
117 H GLY 21 H GLY 21 -2.762 -2.892 3.435
118 HA2 GLY 21 1HA GLY 21 -4.574 -2.060 1.253
119 HA3 GLY 21 2HA GLY 21 -4.755 -3.592 2.095
120 H PHE 22 H PHE 22 -6.468 -1.092 1.786
121 HA PHE 22 HA PHE 22 -7.203 -0.928 4.618
122 HB2 PHE 22 1HB PHE 22 -6.951 1.467 2.784
123 HB3 PHE 22 2HB PHE 22 -7.577 1.499 4.430
124 HD1 PHE 22 HD1 PHE 22 -6.090 1.234 6.333
125 HD2 PHE 22 HD2 PHE 22 -4.597 1.267 2.347
126 HE1 PHE 22 HE1 PHE 22 -3.813 1.593 7.193
127 HE2 PHE 22 HE2 PHE 22 -2.317 1.625 3.200
128 HZ PHE 22 HZ PHE 22 -1.922 1.787 5.626
129 H THR 23 H THR 23 -9.370 -0.844 5.008
130 HA THR 23 HA THR 23 -11.116 -1.595 2.870
131 HB THR 23 HB THR 23 -11.828 -0.857 5.716
132 HG1 THR 23 HG1 THR 23 -10.348 -2.657 5.490
133 HG21 THR 23 3HG2 THR 23 -13.400 -2.706 3.971
134 HG22 THR 23 1HG2 THR 23 -13.615 -0.964 3.809
135 HG23 THR 23 2HG2 THR 23 -13.929 -1.751 5.356
136 H LEU 24 H LEU 24 -10.901 1.253 4.995
137 HA LEU 24 HA LEU 24 -12.827 2.659 3.309
138 HB2 LEU 24 1HB LEU 24 -11.575 3.266 5.971
139 HB3 LEU 24 2HB LEU 24 -12.511 4.465 5.081
140 HG LEU 24 HG LEU 24 -13.732 1.812 5.717
141 HD11 LEU 24 1HD1 LEU 24 -14.600 2.815 7.819
142 HD12 LEU 24 2HD1 LEU 24 -13.450 4.136 7.614
143 HD13 LEU 24 3HD1 LEU 24 -12.867 2.488 7.846
144 HD21 LEU 24 3HD2 LEU 24 -14.561 4.229 4.506
145 HD22 LEU 24 1HD2 LEU 24 -15.424 4.080 6.037
146 HD23 LEU 24 2HD2 LEU 24 -15.521 2.787 4.842
147 H LYS 25 H LYS 25 -12.165 3.891 1.691
148 HA LYS 25 HA LYS 25 -9.676 4.321 0.770
149 HB2 LYS 25 1HB LYS 25 -11.717 5.050 -0.397
150 HB3 LYS 25 2HB LYS 25 -11.888 6.384 0.736
151 HG2 LYS 25 1HG LYS 25 -10.886 7.471 -0.990
152 HG3 LYS 25 2HG LYS 25 -9.452 6.953 -0.100
153 HD2 LYS 25 1HD LYS 25 -9.427 4.903 -1.574
154 HD3 LYS 25 2HD LYS 25 -10.665 5.693 -2.553
155 HE2 LYS 25 1HE LYS 25 -8.123 7.129 -1.912
156 HE3 LYS 25 2HE LYS 25 -8.149 5.921 -3.195
157 HZ1 LYS 25 3HZ LYS 25 -10.253 7.943 -3.224
158 HZ2 LYS 25 1HZ LYS 25 -9.436 7.212 -4.513
159 HZ3 LYS 25 2HZ LYS 25 -8.694 8.453 -3.636
160 H SER 26 H SER 26 -11.317 6.429 3.116
161 HA SER 26 HA SER 26 -9.457 8.408 3.435
162 HB2 SER 26 1HB SER 26 -10.243 8.524 5.835
163 HB3 SER 26 2HB SER 26 -11.530 8.538 4.629
164 HG SER 26 HG SER 26 -11.516 6.997 6.612
165 H HIS 27 H HIS 27 -9.523 5.314 5.199
166 HA HIS 27 HA HIS 27 -7.335 5.579 6.806
167 HB2 HIS 27 1HB HIS 27 -8.305 3.164 5.280
168 HB3 HIS 27 2HB HIS 27 -7.006 3.079 6.466
169 HD1 HIS 27 HD1 HIS 27 -9.714 1.571 6.806
170 HD2 HIS 27 HD2 HIS 27 -8.805 5.256 8.497
171 HE1 HIS 27 HE1 HIS 27 -11.236 1.792 8.795
172 H LEU 28 H LEU 28 -7.176 4.054 3.582
173 HA LEU 28 HA LEU 28 -4.430 3.896 3.369
174 HB2 LEU 28 1HB LEU 28 -5.795 2.788 1.776
175 HB3 LEU 28 2HB LEU 28 -6.542 4.301 1.267
176 HG LEU 28 HG LEU 28 -4.340 4.989 0.319
177 HD11 LEU 28 1HD1 LEU 28 -3.573 2.121 0.836
178 HD12 LEU 28 2HD1 LEU 28 -2.953 3.510 1.727
179 HD13 LEU 28 3HD1 LEU 28 -2.609 3.342 0.006
180 HD21 LEU 28 3HD2 LEU 28 -6.112 4.021 -1.072
181 HD22 LEU 28 1HD2 LEU 28 -5.472 2.408 -0.757
182 HD23 LEU 28 2HD2 LEU 28 -4.506 3.580 -1.655
183 H ASN 29 H ASN 29 -6.473 6.470 1.974
184 HA ASN 29 HA ASN 29 -4.644 8.154 0.940
185 HB2 ASN 29 1HB ASN 29 -7.155 8.508 1.128
186 HB3 ASN 29 2HB ASN 29 -6.850 9.185 2.726
187 HD21 ASN 29 1HD2 ASN 29 -7.933 11.031 1.620
188 HD22 ASN 29 2HD2 ASN 29 -6.925 12.154 0.778
189 H GLN 30 H GLN 30 -5.643 8.273 4.364
190 HA GLN 30 HA GLN 30 -3.755 10.184 5.163
191 HB2 GLN 30 1HB GLN 30 -5.850 9.123 6.386
192 HB3 GLN 30 2HB GLN 30 -4.627 8.063 7.073
193 HG2 GLN 30 1HG GLN 30 -3.627 9.748 8.256
194 HG3 GLN 30 2HG GLN 30 -4.184 11.003 7.150
195 HE21 GLN 30 1HE2 GLN 30 -5.655 8.506 9.206
196 HE22 GLN 30 2HE2 GLN 30 -6.830 9.550 9.923
197 H HIS 31 H HIS 31 -3.593 6.662 5.030
198 HA HIS 31 HA HIS 31 -1.174 6.304 6.388
199 HB2 HIS 31 1HB HIS 31 -2.244 4.299 6.040
200 HB3 HIS 31 2HB HIS 31 -2.734 4.722 4.402
201 HD1 HIS 31 HD1 HIS 31 0.140 3.307 6.348
202 HD2 HIS 31 HD2 HIS 31 -0.935 4.011 2.397
203 HE1 HIS 31 HE1 HIS 31 1.838 2.077 4.960
204 H GLN 32 H GLN 32 -1.835 6.964 2.977
205 HA GLN 32 HA GLN 32 0.642 6.602 1.859
206 HB2 GLN 32 1HB GLN 32 -1.615 8.464 1.294
207 HB3 GLN 32 2HB GLN 32 -0.089 8.745 0.467
208 HG2 GLN 32 1HG GLN 32 -0.151 6.452 -0.399
209 HG3 GLN 32 2HG GLN 32 -1.703 6.207 0.399
210 HE21 GLN 32 1HE2 GLN 32 -2.361 5.685 -1.820
211 HE22 GLN 32 2HE2 GLN 32 -2.862 6.975 -2.855
212 H ARG 33 H ARG 33 -0.320 8.990 4.146
213 HA ARG 33 HA ARG 33 1.485 11.043 3.672
214 HB2 ARG 33 1HB ARG 33 0.429 9.983 6.298
215 HB3 ARG 33 2HB ARG 33 1.313 11.494 6.129
216 HG2 ARG 33 1HG ARG 33 -0.422 12.408 4.731
217 HG3 ARG 33 2HG ARG 33 -1.283 10.867 4.739
218 HD2 ARG 33 1HD ARG 33 -0.873 12.798 7.003
219 HD3 ARG 33 2HD ARG 33 -2.389 12.210 6.323
220 HE ARG 33 HE ARG 33 -1.268 9.954 7.254
221 HH11 ARG 33 1HH1 ARG 33 -1.780 13.081 8.696
222 HH12 ARG 33 2HH1 ARG 33 -1.938 12.458 10.305
223 HH21 ARG 33 1HH2 ARG 33 -1.474 9.121 9.368
224 HH22 ARG 33 2HH2 ARG 33 -1.763 10.205 10.686
225 H ILE 34 H ILE 34 1.938 8.015 5.441
226 HA ILE 34 HA ILE 34 4.479 8.517 6.486
227 HB ILE 34 HB ILE 34 4.662 6.232 6.928
228 HG12 ILE 34 1HG1 ILE 34 2.750 5.709 4.641
229 HG13 ILE 34 2HG1 ILE 34 4.492 5.463 4.592
230 HG21 ILE 34 1HG2 ILE 34 2.201 7.517 7.327
231 HG22 ILE 34 2HG2 ILE 34 1.819 5.863 6.851
232 HG23 ILE 34 3HG2 ILE 34 2.869 6.161 8.236
233 HD11 ILE 34 3HD1 ILE 34 2.439 3.940 6.158
234 HD12 ILE 34 1HD1 ILE 34 3.557 3.343 4.932
235 HD13 ILE 34 2HD1 ILE 34 4.164 3.841 6.511
236 H HIS 35 H HIS 35 3.537 8.237 3.272
237 HA HIS 35 HA HIS 35 6.264 7.518 2.424
238 HB2 HIS 35 1HB HIS 35 3.706 7.412 0.811
239 HB3 HIS 35 2HB HIS 35 5.298 6.895 0.266
240 HD1 HIS 35 HD1 HIS 35 6.335 4.982 2.127
241 HD2 HIS 35 HD2 HIS 35 2.232 5.285 1.547
242 HE1 HIS 35 HE1 HIS 35 5.381 2.791 2.911
243 H THR 36 H THR 36 3.779 9.937 2.315
244 HA THR 36 HA THR 36 4.688 11.488 0.165
245 HB THR 36 HB THR 36 3.510 13.385 1.267
246 HG1 THR 36 HG1 THR 36 3.931 11.942 3.448
247 HG21 THR 36 3HG2 THR 36 1.580 12.592 0.457
248 HG22 THR 36 1HG2 THR 36 1.516 11.304 1.659
249 HG23 THR 36 2HG2 THR 36 2.440 11.078 0.174
250 H GLY 37 H GLY 37 5.938 13.407 0.111
251 HA2 GLY 37 1HA GLY 37 7.292 15.029 1.380
252 HA3 GLY 37 2HA GLY 37 7.818 13.680 2.375
253 H GLU 38 H GLU 38 7.897 14.934 -0.941
254 HA GLU 38 HA GLU 38 10.576 13.751 -1.217
255 HB2 GLU 38 1HB GLU 38 8.407 13.813 -3.322
256 HB3 GLU 38 2HB GLU 38 10.072 13.329 -3.614
257 HG2 GLU 38 1HG GLU 38 8.952 11.318 -3.364
258 HG3 GLU 38 2HG GLU 38 9.683 11.583 -1.782
259 H LYS 39 H LYS 39 11.855 14.793 -2.982
260 HA LYS 39 HA LYS 39 11.073 17.465 -3.759
261 HB2 LYS 39 1HB LYS 39 12.054 17.603 -1.400
262 HB3 LYS 39 2HB LYS 39 13.593 17.170 -2.133
263 HG2 LYS 39 1HG LYS 39 13.651 19.491 -2.005
264 HG3 LYS 39 2HG LYS 39 13.211 19.165 -3.683
265 HD2 LYS 39 1HD LYS 39 10.897 19.628 -3.225
266 HD3 LYS 39 2HD LYS 39 11.223 19.768 -1.495
267 HE2 LYS 39 1HE LYS 39 12.449 21.559 -3.586
268 HE3 LYS 39 2HE LYS 39 10.969 21.948 -2.709
269 HZ1 LYS 39 3HZ LYS 39 13.485 22.562 -1.907
270 HZ2 LYS 39 1HZ LYS 39 13.135 21.186 -0.987
271 HZ3 LYS 39 2HZ LYS 39 12.118 22.535 -0.910
272 HA PRO 40 HA PRO 40 13.511 16.175 -7.214
273 HB2 PRO 40 1HB PRO 40 13.544 18.550 -8.529
274 HB3 PRO 40 2HB PRO 40 12.124 17.499 -8.480
275 HG2 PRO 40 1HG PRO 40 12.738 19.931 -6.846
276 HG3 PRO 40 2HG PRO 40 11.211 19.454 -7.613
277 HD2 PRO 40 1HD PRO 40 11.694 19.086 -4.974
278 HD3 PRO 40 2HD PRO 40 10.677 17.982 -5.921
279 H SER 41 H SER 41 14.287 19.391 -5.868
280 HA SER 41 HA SER 41 17.071 18.618 -5.589
281 HB2 SER 41 1HB SER 41 17.136 19.435 -7.845
282 HB3 SER 41 2HB SER 41 16.182 20.855 -7.419
283 HG SER 41 HG SER 41 17.911 21.629 -6.229
284 H GLY 42 H GLY 42 17.625 19.239 -3.615
285 HA2 GLY 42 1HA GLY 42 17.676 21.806 -2.638
286 HA3 GLY 42 2HA GLY 42 16.110 21.175 -2.150
287 HA PRO 43 HA PRO 43 19.624 18.619 0.049
288 HB2 PRO 43 1HB PRO 43 21.967 19.966 0.314
289 HB3 PRO 43 2HB PRO 43 21.625 18.892 -1.048
290 HG2 PRO 43 1HG PRO 43 21.449 21.877 -0.898
291 HG3 PRO 43 2HG PRO 43 22.106 20.858 -2.193
292 HD2 PRO 43 1HD PRO 43 19.638 21.964 -2.320
293 HD3 PRO 43 2HD PRO 43 20.021 20.396 -3.059
294 H SER 44 H SER 44 18.738 21.891 0.339
295 HA SER 44 HA SER 44 18.303 23.256 2.106
296 HB2 SER 44 1HB SER 44 16.990 21.265 2.839
297 HB3 SER 44 2HB SER 44 18.400 20.709 3.740
298 HG SER 44 HG SER 44 16.684 22.853 4.252
299 H SER 45 H SER 45 20.954 23.136 1.353
300 HA SER 45 HA SER 45 22.249 24.187 3.638
301 HB2 SER 45 1HB SER 45 22.361 21.660 4.044
302 HB3 SER 45 2HB SER 45 23.479 21.603 2.681
303 HG SER 45 HG SER 45 23.982 23.482 4.675
304 H GLY 46 H GLY 46 24.499 24.845 3.171
305 HA2 GLY 46 1HA GLY 46 25.822 26.133 1.775
306 HA3 GLY 46 2HA GLY 46 25.939 24.616 0.895
Start of MODEL 16
1 H1 GLY 1 H GLY 1 14.317 -11.782 -7.989
2 HA2 GLY 1 1HA GLY 1 14.966 -13.277 -6.354
3 HA3 GLY 1 2HA GLY 1 15.521 -11.816 -5.551
4 H SER 2 H SER 2 14.978 -12.018 -3.476
5 HA SER 2 HA SER 2 12.235 -12.889 -2.843
6 HB2 SER 2 1HB SER 2 13.090 -13.625 -0.668
7 HB3 SER 2 2HB SER 2 13.986 -14.399 -1.975
8 HG SER 2 HG SER 2 15.209 -12.121 -1.379
9 H SER 3 H SER 3 12.678 -10.252 -3.576
10 HA SER 3 HA SER 3 12.030 -8.891 -1.067
11 HB2 SER 3 1HB SER 3 13.489 -7.033 -1.515
12 HB3 SER 3 2HB SER 3 14.458 -8.503 -1.611
13 HG SER 3 HG SER 3 14.513 -6.753 -3.380
14 H GLY 4 H GLY 4 10.217 -7.752 -1.260
15 HA2 GLY 4 1HA GLY 4 8.614 -6.367 -2.199
16 HA3 GLY 4 2HA GLY 4 9.591 -6.283 -3.658
17 H SER 5 H SER 5 8.078 -9.012 -1.943
18 HA SER 5 HA SER 5 6.535 -9.575 -4.385
19 HB2 SER 5 1HB SER 5 8.115 -11.526 -2.703
20 HB3 SER 5 2HB SER 5 6.886 -12.030 -3.863
21 HG SER 5 HG SER 5 9.252 -10.562 -4.414
22 H SER 6 H SER 6 4.780 -8.517 -3.302
23 HA SER 6 HA SER 6 3.506 -10.236 -1.278
24 HB2 SER 6 1HB SER 6 4.287 -8.194 -0.189
25 HB3 SER 6 2HB SER 6 3.456 -7.210 -1.394
26 HG SER 6 HG SER 6 2.071 -7.306 0.289
27 H GLY 7 H GLY 7 2.352 -11.282 -2.960
28 HA2 GLY 7 1HA GLY 7 0.126 -9.647 -3.999
29 HA3 GLY 7 2HA GLY 7 0.983 -10.767 -5.048
30 H SER 8 H SER 8 -0.659 -10.755 -1.883
31 HA SER 8 HA SER 8 -2.044 -13.213 -2.699
32 HB2 SER 8 1HB SER 8 -0.701 -12.744 -0.026
33 HB3 SER 8 2HB SER 8 -1.761 -14.105 -0.392
34 HG SER 8 HG SER 8 0.744 -14.156 -0.693
35 H SER 9 H SER 9 -1.902 -10.534 -0.380
36 HA SER 9 HA SER 9 -4.784 -10.800 0.086
37 HB2 SER 9 1HB SER 9 -3.333 -10.645 2.074
38 HB3 SER 9 2HB SER 9 -2.740 -9.081 1.515
39 HG SER 9 HG SER 9 -5.048 -8.453 1.563
40 H THR 10 H THR 10 -6.198 -9.461 -0.821
41 HA THR 10 HA THR 10 -5.172 -7.019 -2.114
42 HB THR 10 HB THR 10 -7.165 -7.188 -3.616
43 HG1 THR 10 HG1 THR 10 -7.453 -9.887 -2.958
44 HG21 THR 10 3HG2 THR 10 -4.836 -8.111 -4.127
45 HG22 THR 10 1HG2 THR 10 -6.174 -8.727 -5.097
46 HG23 THR 10 2HG2 THR 10 -5.518 -9.700 -3.780
47 H LYS 11 H LYS 11 -6.557 -5.157 -2.134
48 HA LYS 11 HA LYS 11 -8.811 -5.132 -0.296
49 HB2 LYS 11 1HB LYS 11 -6.477 -4.587 0.846
50 HB3 LYS 11 2HB LYS 11 -6.767 -3.002 0.141
51 HG2 LYS 11 1HG LYS 11 -7.778 -2.653 2.125
52 HG3 LYS 11 2HG LYS 11 -9.146 -3.390 1.287
53 HD2 LYS 11 1HD LYS 11 -7.272 -5.247 2.617
54 HD3 LYS 11 2HD LYS 11 -8.244 -4.226 3.679
55 HE2 LYS 11 1HE LYS 11 -10.206 -5.209 3.054
56 HE3 LYS 11 2HE LYS 11 -9.624 -5.593 1.435
57 HZ1 LYS 11 3HZ LYS 11 -8.773 -7.553 2.107
58 HZ2 LYS 11 1HZ LYS 11 -9.929 -7.412 3.335
59 HZ3 LYS 11 2HZ LYS 11 -8.321 -6.981 3.633
60 H SER 12 H SER 12 -10.269 -3.486 -0.684
61 HA SER 12 HA SER 12 -10.727 -2.550 -3.155
62 HB2 SER 12 1HB SER 12 -12.372 -2.165 -1.470
63 HB3 SER 12 2HB SER 12 -11.272 -1.157 -0.530
64 HG SER 12 HG SER 12 -12.647 0.188 -1.648
65 H HIS 13 H HIS 13 -8.778 -0.836 -0.728
66 HA HIS 13 HA HIS 13 -7.579 0.718 -2.925
67 HB2 HIS 13 1HB HIS 13 -7.790 1.804 -0.133
68 HB3 HIS 13 2HB HIS 13 -7.560 2.677 -1.645
69 HD1 HIS 13 HD1 HIS 13 -9.804 2.346 -3.324
70 HD2 HIS 13 HD2 HIS 13 -10.308 2.056 0.790
71 HE1 HIS 13 HE1 HIS 13 -12.255 2.734 -2.918
72 H GLN 14 H GLN 14 -5.713 -0.403 -3.195
73 HA GLN 14 HA GLN 14 -4.083 -0.998 -0.832
74 HB2 GLN 14 1HB GLN 14 -4.417 -2.889 -2.285
75 HB3 GLN 14 2HB GLN 14 -3.908 -1.961 -3.689
76 HG2 GLN 14 1HG GLN 14 -1.654 -1.858 -2.878
77 HG3 GLN 14 2HG GLN 14 -2.125 -2.618 -1.358
78 HE21 GLN 14 1HE2 GLN 14 -0.629 -3.176 -4.178
79 HE22 GLN 14 2HE2 GLN 14 -0.907 -4.873 -4.348
80 H CYS 15 H CYS 15 -2.096 -0.119 -0.500
81 HA CYS 15 HA CYS 15 -1.502 2.348 -1.795
82 HB2 CYS 15 1HB CYS 15 -0.989 1.817 0.605
83 HB3 CYS 15 2HB CYS 15 0.291 0.748 0.040
84 H HIS 16 H HIS 16 0.613 2.852 -2.778
85 HA HIS 16 HA HIS 16 1.503 0.636 -4.500
86 HB2 HIS 16 1HB HIS 16 0.409 2.800 -5.461
87 HB3 HIS 16 2HB HIS 16 1.981 3.528 -5.144
88 HD1 HIS 16 HD1 HIS 16 3.250 3.622 -7.253
89 HD2 HIS 16 HD2 HIS 16 1.051 0.111 -6.943
90 HE1 HIS 16 HE1 HIS 16 3.799 2.300 -9.321
91 H GLU 17 H GLU 17 2.488 3.003 -2.187
92 HA GLU 17 HA GLU 17 5.276 2.961 -2.775
93 HB2 GLU 17 1HB GLU 17 4.051 3.632 -0.105
94 HB3 GLU 17 2HB GLU 17 5.566 4.216 -0.778
95 HG2 GLU 17 1HG GLU 17 2.810 4.889 -1.783
96 HG3 GLU 17 2HG GLU 17 3.853 5.937 -0.824
97 H CYS 18 H CYS 18 3.207 1.232 -0.485
98 HA CYS 18 HA CYS 18 5.457 -0.600 0.038
99 HB2 CYS 18 1HB CYS 18 4.472 -1.008 2.267
100 HB3 CYS 18 2HB CYS 18 4.936 0.675 2.047
101 H GLY 19 H GLY 19 1.950 -0.286 -0.312
102 HA2 GLY 19 1HA GLY 19 0.751 -1.855 -1.696
103 HA3 GLY 19 2HA GLY 19 1.887 -3.097 -1.193
104 H ARG 20 H ARG 20 0.487 -0.836 1.070
105 HA ARG 20 HA ARG 20 -0.551 -2.982 2.659
106 HB2 ARG 20 1HB ARG 20 -0.350 -0.024 2.913
107 HB3 ARG 20 2HB ARG 20 -1.569 -0.840 3.883
108 HG2 ARG 20 1HG ARG 20 0.432 -2.404 4.526
109 HG3 ARG 20 2HG ARG 20 1.397 -1.013 4.025
110 HD2 ARG 20 1HD ARG 20 1.000 -0.866 6.389
111 HD3 ARG 20 2HD ARG 20 0.075 0.398 5.579
112 HE ARG 20 HE ARG 20 -1.752 -1.525 5.768
113 HH11 ARG 20 1HH1 ARG 20 0.511 -0.313 8.120
114 HH12 ARG 20 2HH1 ARG 20 -0.511 -0.659 9.475
115 HH21 ARG 20 1HH2 ARG 20 -3.108 -1.985 7.544
116 HH22 ARG 20 2HH2 ARG 20 -2.569 -1.611 9.146
117 H GLY 21 H GLY 21 -2.831 -2.877 3.525
118 HA2 GLY 21 1HA GLY 21 -4.702 -2.148 1.356
119 HA3 GLY 21 2HA GLY 21 -4.839 -3.656 2.247
120 H PHE 22 H PHE 22 -6.367 -0.905 1.906
121 HA PHE 22 HA PHE 22 -7.166 -0.795 4.733
122 HB2 PHE 22 1HB PHE 22 -6.891 1.600 2.905
123 HB3 PHE 22 2HB PHE 22 -7.430 1.629 4.580
124 HD1 PHE 22 HD2 PHE 22 -4.551 1.165 2.356
125 HD2 PHE 22 HD1 PHE 22 -5.873 1.477 6.389
126 HE1 PHE 22 HE2 PHE 22 -2.221 1.451 3.094
127 HE2 PHE 22 HE1 PHE 22 -3.546 1.764 7.134
128 HZ PHE 22 HZ PHE 22 -1.716 1.750 5.486
129 H THR 23 H THR 23 -9.230 -1.306 4.954
130 HA THR 23 HA THR 23 -11.002 -1.771 2.862
131 HB THR 23 HB THR 23 -11.725 -1.094 5.720
132 HG1 THR 23 HG1 THR 23 -10.229 -2.988 5.090
133 HG21 THR 23 3HG2 THR 23 -13.276 -2.812 3.798
134 HG22 THR 23 1HG2 THR 23 -13.558 -1.077 3.940
135 HG23 THR 23 2HG2 THR 23 -13.807 -2.129 5.334
136 H LEU 24 H LEU 24 -10.715 1.070 4.972
137 HA LEU 24 HA LEU 24 -12.741 2.477 3.423
138 HB2 LEU 24 1HB LEU 24 -11.228 3.100 5.938
139 HB3 LEU 24 2HB LEU 24 -12.175 4.330 5.104
140 HG LEU 24 HG LEU 24 -13.388 1.738 6.025
141 HD11 LEU 24 1HD1 LEU 24 -12.752 2.484 8.084
142 HD12 LEU 24 2HD1 LEU 24 -14.259 3.379 7.895
143 HD13 LEU 24 3HD1 LEU 24 -12.717 4.176 7.586
144 HD21 LEU 24 3HD2 LEU 24 -14.305 4.134 4.677
145 HD22 LEU 24 1HD2 LEU 24 -15.225 3.806 6.146
146 HD23 LEU 24 2HD2 LEU 24 -15.108 2.577 4.886
147 H LYS 25 H LYS 25 -12.351 4.107 2.023
148 HA LYS 25 HA LYS 25 -9.866 4.338 0.770
149 HB2 LYS 25 1HB LYS 25 -12.067 4.961 -0.231
150 HB3 LYS 25 2HB LYS 25 -12.079 6.398 0.783
151 HG2 LYS 25 1HG LYS 25 -11.314 7.149 -1.284
152 HG3 LYS 25 2HG LYS 25 -9.849 6.978 -0.315
153 HD2 LYS 25 1HD LYS 25 -9.371 4.843 -1.358
154 HD3 LYS 25 2HD LYS 25 -10.884 4.920 -2.265
155 HE2 LYS 25 1HE LYS 25 -8.959 7.171 -2.534
156 HE3 LYS 25 2HE LYS 25 -8.576 5.648 -3.335
157 HZ1 LYS 25 3HZ LYS 25 -9.773 6.716 -4.945
158 HZ2 LYS 25 1HZ LYS 25 -10.784 7.513 -3.848
159 HZ3 LYS 25 2HZ LYS 25 -11.017 5.869 -4.173
160 H SER 26 H SER 26 -11.420 6.468 3.151
161 HA SER 26 HA SER 26 -9.529 8.487 3.246
162 HB2 SER 26 1HB SER 26 -10.318 8.853 5.599
163 HB3 SER 26 2HB SER 26 -11.624 8.717 4.422
164 HG SER 26 HG SER 26 -12.335 7.084 5.515
165 H HIS 27 H HIS 27 -9.638 5.490 5.156
166 HA HIS 27 HA HIS 27 -7.482 5.813 6.797
167 HB2 HIS 27 1HB HIS 27 -8.548 3.388 5.381
168 HB3 HIS 27 2HB HIS 27 -7.129 3.267 6.417
169 HD1 HIS 27 HD1 HIS 27 -9.773 1.806 7.093
170 HD2 HIS 27 HD2 HIS 27 -8.683 5.525 8.591
171 HE1 HIS 27 HE1 HIS 27 -11.074 2.078 9.228
172 H LEU 28 H LEU 28 -7.284 4.240 3.598
173 HA LEU 28 HA LEU 28 -4.540 4.020 3.434
174 HB2 LEU 28 1HB LEU 28 -5.887 2.942 1.812
175 HB3 LEU 28 2HB LEU 28 -6.610 4.465 1.301
176 HG LEU 28 HG LEU 28 -4.356 5.126 0.412
177 HD11 LEU 28 1HD1 LEU 28 -2.637 3.538 0.163
178 HD12 LEU 28 2HD1 LEU 28 -3.677 2.211 0.677
179 HD13 LEU 28 3HD1 LEU 28 -3.149 3.421 1.846
180 HD21 LEU 28 3HD2 LEU 28 -4.707 4.073 -1.633
181 HD22 LEU 28 1HD2 LEU 28 -6.302 4.040 -0.879
182 HD23 LEU 28 2HD2 LEU 28 -5.296 2.590 -0.880
183 H ASN 29 H ASN 29 -6.563 6.722 2.306
184 HA ASN 29 HA ASN 29 -4.690 8.359 1.184
185 HB2 ASN 29 1HB ASN 29 -7.255 8.700 1.621
186 HB3 ASN 29 2HB ASN 29 -6.700 9.570 3.049
187 HD21 ASN 29 1HD2 ASN 29 -7.993 11.178 1.636
188 HD22 ASN 29 2HD2 ASN 29 -7.034 12.171 0.597
189 H GLN 30 H GLN 30 -5.587 8.360 4.636
190 HA GLN 30 HA GLN 30 -3.605 10.200 5.427
191 HB2 GLN 30 1HB GLN 30 -5.569 9.725 6.802
192 HB3 GLN 30 2HB GLN 30 -5.018 8.073 7.045
193 HG2 GLN 30 1HG GLN 30 -2.916 9.145 8.061
194 HG3 GLN 30 2HG GLN 30 -3.889 10.613 8.150
195 HE21 GLN 30 1HE2 GLN 30 -5.799 10.583 9.430
196 HE22 GLN 30 2HE2 GLN 30 -5.954 9.479 10.750
197 H HIS 31 H HIS 31 -3.549 6.767 4.890
198 HA HIS 31 HA HIS 31 -1.171 6.201 6.338
199 HB2 HIS 31 1HB HIS 31 -2.316 4.257 5.928
200 HB3 HIS 31 2HB HIS 31 -2.846 4.779 4.331
201 HD1 HIS 31 HD1 HIS 31 0.081 3.216 6.096
202 HD2 HIS 31 HD2 HIS 31 -1.207 4.023 2.229
203 HE1 HIS 31 HE1 HIS 31 1.658 1.966 4.587
204 H GLN 32 H GLN 32 -1.772 6.604 2.846
205 HA GLN 32 HA GLN 32 0.725 6.324 1.826
206 HB2 GLN 32 1HB GLN 32 -1.454 8.267 1.105
207 HB3 GLN 32 2HB GLN 32 0.052 8.208 0.199
208 HG2 GLN 32 1HG GLN 32 -0.359 6.036 -0.565
209 HG3 GLN 32 2HG GLN 32 -1.616 5.759 0.639
210 HE21 GLN 32 1HE2 GLN 32 -1.406 5.811 -2.433
211 HE22 GLN 32 2HE2 GLN 32 -2.801 6.713 -2.906
212 H ARG 33 H ARG 33 -0.358 8.822 3.940
213 HA ARG 33 HA ARG 33 1.409 10.887 3.399
214 HB2 ARG 33 1HB ARG 33 0.342 9.947 6.067
215 HB3 ARG 33 2HB ARG 33 1.161 11.483 5.809
216 HG2 ARG 33 1HG ARG 33 -0.674 11.870 4.018
217 HG3 ARG 33 2HG ARG 33 -1.538 10.601 4.889
218 HD2 ARG 33 1HD ARG 33 -2.181 12.799 5.708
219 HD3 ARG 33 2HD ARG 33 -1.335 11.890 6.960
220 HE ARG 33 HE ARG 33 0.647 13.323 5.838
221 HH11 ARG 33 1HH1 ARG 33 -2.502 14.196 7.037
222 HH12 ARG 33 2HH1 ARG 33 -2.025 15.795 7.502
223 HH21 ARG 33 1HH2 ARG 33 1.287 15.426 6.446
224 HH22 ARG 33 2HH2 ARG 33 0.130 16.494 7.165
225 H ILE 34 H ILE 34 1.897 7.981 5.357
226 HA ILE 34 HA ILE 34 4.318 8.514 6.533
227 HB ILE 34 HB ILE 34 4.723 6.161 6.652
228 HG12 ILE 34 1HG1 ILE 34 2.649 5.848 4.470
229 HG13 ILE 34 2HG1 ILE 34 4.386 5.646 4.264
230 HG21 ILE 34 1HG2 ILE 34 3.076 6.250 8.154
231 HG22 ILE 34 2HG2 ILE 34 2.072 7.258 7.114
232 HG23 ILE 34 3HG2 ILE 34 2.061 5.505 6.919
233 HD11 ILE 34 3HD1 ILE 34 3.824 3.478 4.528
234 HD12 ILE 34 1HD1 ILE 34 3.999 3.896 6.232
235 HD13 ILE 34 2HD1 ILE 34 2.397 3.848 5.496
236 H HIS 35 H HIS 35 3.653 7.829 3.183
237 HA HIS 35 HA HIS 35 6.498 7.607 2.559
238 HB2 HIS 35 1HB HIS 35 4.187 7.469 0.621
239 HB3 HIS 35 2HB HIS 35 5.834 6.892 0.377
240 HD1 HIS 35 HD1 HIS 35 6.501 4.883 2.189
241 HD2 HIS 35 HD2 HIS 35 2.484 5.499 1.327
242 HE1 HIS 35 HE1 HIS 35 5.334 2.761 2.867
243 H THR 36 H THR 36 3.776 9.772 2.161
244 HA THR 36 HA THR 36 4.817 11.507 0.237
245 HB THR 36 HB THR 36 2.985 12.165 2.551
246 HG1 THR 36 HG1 THR 36 1.360 11.649 1.159
247 HG21 THR 36 3HG2 THR 36 2.469 14.187 1.530
248 HG22 THR 36 1HG2 THR 36 3.110 13.678 -0.032
249 HG23 THR 36 2HG2 THR 36 4.212 14.074 1.287
250 H GLY 37 H GLY 37 6.533 12.796 0.263
251 HA2 GLY 37 1HA GLY 37 8.184 14.207 1.014
252 HA3 GLY 37 2HA GLY 37 7.193 14.489 2.437
253 H GLU 38 H GLU 38 9.883 12.792 1.117
254 HA GLU 38 HA GLU 38 10.225 11.130 3.479
255 HB2 GLU 38 1HB GLU 38 12.172 10.219 2.309
256 HB3 GLU 38 2HB GLU 38 10.742 10.174 1.288
257 HG2 GLU 38 1HG GLU 38 11.691 12.495 0.464
258 HG3 GLU 38 2HG GLU 38 13.208 11.801 1.033
259 H LYS 39 H LYS 39 10.474 12.869 4.996
260 HA LYS 39 HA LYS 39 13.194 13.993 4.967
261 HB2 LYS 39 1HB LYS 39 11.633 15.784 4.440
262 HB3 LYS 39 2HB LYS 39 10.656 15.382 5.845
263 HG2 LYS 39 1HG LYS 39 12.490 16.020 7.317
264 HG3 LYS 39 2HG LYS 39 13.490 16.400 5.913
265 HD2 LYS 39 1HD LYS 39 11.578 17.998 5.256
266 HD3 LYS 39 2HD LYS 39 11.049 17.817 6.931
267 HE2 LYS 39 1HE LYS 39 12.904 18.888 7.772
268 HE3 LYS 39 2HE LYS 39 13.900 18.489 6.374
269 HZ1 LYS 39 3HZ LYS 39 12.995 20.199 5.136
270 HZ2 LYS 39 1HZ LYS 39 13.095 20.893 6.675
271 HZ3 LYS 39 2HZ LYS 39 11.610 20.324 6.100
272 HA PRO 40 HA PRO 40 12.485 11.528 8.826
273 HB2 PRO 40 1HB PRO 40 14.915 10.318 8.770
274 HB3 PRO 40 2HB PRO 40 13.507 9.687 7.907
275 HG2 PRO 40 1HG PRO 40 15.794 11.313 6.866
276 HG3 PRO 40 2HG PRO 40 15.003 9.903 6.140
277 HD2 PRO 40 1HD PRO 40 14.466 12.438 5.356
278 HD3 PRO 40 2HD PRO 40 13.244 11.151 5.326
279 H SER 41 H SER 41 13.031 12.266 10.795
280 HA SER 41 HA SER 41 15.209 14.235 10.958
281 HB2 SER 41 1HB SER 41 12.775 14.840 11.574
282 HB3 SER 41 2HB SER 41 13.049 13.881 13.028
283 HG SER 41 HG SER 41 15.109 15.383 12.961
284 H GLY 42 H GLY 42 17.033 13.270 11.603
285 HA2 GLY 42 1HA GLY 42 18.504 12.259 13.063
286 HA3 GLY 42 2HA GLY 42 17.185 12.123 14.216
287 HA PRO 43 HA PRO 43 18.182 8.054 11.808
288 HB2 PRO 43 1HB PRO 43 20.262 7.042 13.229
289 HB3 PRO 43 2HB PRO 43 20.479 8.044 11.790
290 HG2 PRO 43 1HG PRO 43 20.636 8.818 14.677
291 HG3 PRO 43 2HG PRO 43 21.697 9.284 13.335
292 HD2 PRO 43 1HD PRO 43 19.754 10.911 14.290
293 HD3 PRO 43 2HD PRO 43 20.241 10.906 12.583
294 H SER 44 H SER 44 17.690 5.949 12.617
295 HA SER 44 HA SER 44 17.261 5.532 15.430
296 HB2 SER 44 1HB SER 44 15.242 6.762 15.040
297 HB3 SER 44 2HB SER 44 14.907 5.860 13.562
298 HG SER 44 HG SER 44 13.729 4.720 14.903
299 H SER 45 H SER 45 17.071 3.382 15.955
300 HA SER 45 HA SER 45 17.773 1.518 13.862
301 HB2 SER 45 1HB SER 45 17.540 1.331 16.856
302 HB3 SER 45 2HB SER 45 17.732 -0.119 15.870
303 HG SER 45 HG SER 45 19.732 0.450 15.387
304 H GLY 46 H GLY 46 16.562 -0.183 13.111
305 HA2 GLY 46 1HA GLY 46 14.274 -1.294 14.140
306 HA3 GLY 46 2HA GLY 46 13.716 0.117 13.254
Start of MODEL 17
1 H1 GLY 1 H GLY 1 14.492 -4.025 1.193
2 HA2 GLY 1 1HA GLY 1 15.058 -6.489 -0.254
3 HA3 GLY 1 2HA GLY 1 14.632 -6.674 1.441
4 H SER 2 H SER 2 13.489 -5.929 -1.742
5 HA SER 2 HA SER 2 10.752 -5.598 -0.729
6 HB2 SER 2 1HB SER 2 11.842 -3.927 -2.374
7 HB3 SER 2 2HB SER 2 11.591 -5.179 -3.590
8 HG SER 2 HG SER 2 9.430 -4.507 -1.961
9 H SER 3 H SER 3 11.813 -8.158 -0.597
10 HA SER 3 HA SER 3 10.015 -9.559 -2.416
11 HB2 SER 3 1HB SER 3 12.980 -10.102 -2.215
12 HB3 SER 3 2HB SER 3 11.834 -11.281 -2.853
13 HG SER 3 HG SER 3 11.318 -9.855 -4.495
14 H GLY 4 H GLY 4 9.589 -11.781 -1.747
15 HA2 GLY 4 1HA GLY 4 10.402 -13.277 0.281
16 HA3 GLY 4 2HA GLY 4 9.613 -11.979 1.166
17 H SER 5 H SER 5 7.324 -11.591 0.707
18 HA SER 5 HA SER 5 5.856 -13.707 -0.615
19 HB2 SER 5 1HB SER 5 5.469 -13.218 2.348
20 HB3 SER 5 2HB SER 5 4.545 -14.338 1.347
21 HG SER 5 HG SER 5 6.503 -15.483 0.984
22 H SER 6 H SER 6 4.654 -12.441 -1.887
23 HA SER 6 HA SER 6 3.134 -10.259 -0.614
24 HB2 SER 6 1HB SER 6 4.996 -9.727 -2.397
25 HB3 SER 6 2HB SER 6 3.752 -10.223 -3.545
26 HG SER 6 HG SER 6 3.898 -7.896 -2.842
27 H GLY 7 H GLY 7 1.412 -11.724 -0.184
28 HA2 GLY 7 1HA GLY 7 0.156 -13.241 -2.244
29 HA3 GLY 7 2HA GLY 7 -0.513 -12.895 -0.656
30 H SER 8 H SER 8 -2.373 -12.905 -2.425
31 HA SER 8 HA SER 8 -2.758 -10.122 -3.312
32 HB2 SER 8 1HB SER 8 -4.387 -11.049 -4.946
33 HB3 SER 8 2HB SER 8 -2.758 -11.679 -5.183
34 HG SER 8 HG SER 8 -4.868 -12.991 -3.807
35 H SER 9 H SER 9 -4.332 -8.969 -2.405
36 HA SER 9 HA SER 9 -6.359 -10.399 -0.811
37 HB2 SER 9 1HB SER 9 -5.211 -7.648 -0.283
38 HB3 SER 9 2HB SER 9 -6.403 -8.486 0.710
39 HG SER 9 HG SER 9 -4.834 -10.062 1.159
40 H THR 10 H THR 10 -8.473 -9.543 -0.769
41 HA THR 10 HA THR 10 -9.230 -8.245 -3.243
42 HB THR 10 HB THR 10 -11.541 -8.663 -2.544
43 HG1 THR 10 HG1 THR 10 -10.971 -10.171 -0.346
44 HG21 THR 10 3HG2 THR 10 -10.704 -10.508 -3.677
45 HG22 THR 10 1HG2 THR 10 -11.268 -11.222 -2.167
46 HG23 THR 10 2HG2 THR 10 -9.551 -10.896 -2.401
47 H LYS 11 H LYS 11 -7.748 -6.500 -1.735
48 HA LYS 11 HA LYS 11 -9.691 -4.681 -0.498
49 HB2 LYS 11 1HB LYS 11 -7.432 -5.435 0.591
50 HB3 LYS 11 2HB LYS 11 -6.729 -4.224 -0.473
51 HG2 LYS 11 1HG LYS 11 -7.082 -3.147 1.583
52 HG3 LYS 11 2HG LYS 11 -8.373 -2.582 0.521
53 HD2 LYS 11 1HD LYS 11 -9.469 -3.058 2.526
54 HD3 LYS 11 2HD LYS 11 -9.766 -4.489 1.535
55 HE2 LYS 11 1HE LYS 11 -8.022 -5.697 2.674
56 HE3 LYS 11 2HE LYS 11 -7.552 -4.253 3.570
57 HZ1 LYS 11 3HZ LYS 11 -9.694 -4.273 4.673
58 HZ2 LYS 11 1HZ LYS 11 -8.902 -5.749 4.910
59 HZ3 LYS 11 2HZ LYS 11 -10.169 -5.639 3.796
60 H SER 12 H SER 12 -10.121 -2.693 -1.313
61 HA SER 12 HA SER 12 -9.317 -2.180 -4.036
62 HB2 SER 12 1HB SER 12 -11.642 -1.757 -2.981
63 HB3 SER 12 2HB SER 12 -10.919 -0.286 -2.330
64 HG SER 12 HG SER 12 -11.016 0.581 -4.240
65 H HIS 13 H HIS 13 -9.280 -0.135 -1.110
66 HA HIS 13 HA HIS 13 -7.407 1.700 -2.190
67 HB2 HIS 13 1HB HIS 13 -7.740 1.395 0.763
68 HB3 HIS 13 2HB HIS 13 -7.614 2.862 -0.203
69 HD1 HIS 13 HD1 HIS 13 -9.837 3.374 -1.709
70 HD2 HIS 13 HD2 HIS 13 -10.276 0.764 1.494
71 HE1 HIS 13 HE1 HIS 13 -12.308 3.283 -1.249
72 H GLN 14 H GLN 14 -5.721 0.290 -2.932
73 HA GLN 14 HA GLN 14 -4.039 -0.829 -0.796
74 HB2 GLN 14 1HB GLN 14 -4.916 -2.220 -2.829
75 HB3 GLN 14 2HB GLN 14 -3.623 -1.412 -3.705
76 HG2 GLN 14 1HG GLN 14 -2.110 -2.241 -1.793
77 HG3 GLN 14 2HG GLN 14 -3.436 -3.344 -1.433
78 HE21 GLN 14 1HE2 GLN 14 -1.914 -5.031 -1.916
79 HE22 GLN 14 2HE2 GLN 14 -1.624 -5.484 -3.558
80 H CYS 15 H CYS 15 -2.085 0.002 -0.390
81 HA CYS 15 HA CYS 15 -1.291 2.426 -1.695
82 HB2 CYS 15 1HB CYS 15 -0.967 1.968 0.747
83 HB3 CYS 15 2HB CYS 15 0.267 0.789 0.314
84 H HIS 16 H HIS 16 0.630 2.808 -2.854
85 HA HIS 16 HA HIS 16 1.647 0.429 -4.249
86 HB2 HIS 16 1HB HIS 16 0.544 2.299 -5.563
87 HB3 HIS 16 2HB HIS 16 1.927 3.302 -5.135
88 HD1 HIS 16 HD1 HIS 16 4.336 2.060 -5.854
89 HD2 HIS 16 HD2 HIS 16 0.881 1.050 -7.928
90 HE1 HIS 16 HE1 HIS 16 5.123 1.051 -8.019
91 H GLU 17 H GLU 17 2.505 2.828 -2.006
92 HA GLU 17 HA GLU 17 5.305 2.943 -2.584
93 HB2 GLU 17 1HB GLU 17 3.995 3.611 0.048
94 HB3 GLU 17 2HB GLU 17 5.509 4.235 -0.592
95 HG2 GLU 17 1HG GLU 17 2.916 4.732 -2.000
96 HG3 GLU 17 2HG GLU 17 3.433 5.738 -0.648
97 H CYS 18 H CYS 18 3.276 1.122 -0.341
98 HA CYS 18 HA CYS 18 5.610 -0.570 0.275
99 HB2 CYS 18 1HB CYS 18 4.629 -0.990 2.488
100 HB3 CYS 18 2HB CYS 18 4.945 0.724 2.244
101 H GLY 19 H GLY 19 2.128 -0.429 -0.267
102 HA2 GLY 19 1HA GLY 19 1.087 -2.103 -1.660
103 HA3 GLY 19 2HA GLY 19 2.225 -3.278 -1.015
104 H ARG 20 H ARG 20 0.561 -0.957 1.004
105 HA ARG 20 HA ARG 20 -0.559 -3.102 2.574
106 HB2 ARG 20 1HB ARG 20 -0.297 -0.151 2.848
107 HB3 ARG 20 2HB ARG 20 -1.597 -0.933 3.738
108 HG2 ARG 20 1HG ARG 20 0.217 -2.526 4.601
109 HG3 ARG 20 2HG ARG 20 1.359 -1.319 4.007
110 HD2 ARG 20 1HD ARG 20 0.488 0.345 5.456
111 HD3 ARG 20 2HD ARG 20 -0.908 -0.650 5.868
112 HE ARG 20 HE ARG 20 1.217 -2.134 6.688
113 HH11 ARG 20 1HH1 ARG 20 0.148 1.124 7.292
114 HH12 ARG 20 2HH1 ARG 20 0.827 1.191 8.885
115 HH21 ARG 20 1HH2 ARG 20 2.115 -2.058 8.783
116 HH22 ARG 20 2HH2 ARG 20 1.946 -0.620 9.732
117 H GLY 21 H GLY 21 -2.879 -2.966 3.294
118 HA2 GLY 21 1HA GLY 21 -4.630 -2.047 1.105
119 HA3 GLY 21 2HA GLY 21 -4.780 -3.676 1.748
120 H PHE 22 H PHE 22 -6.382 -0.964 1.735
121 HA PHE 22 HA PHE 22 -7.237 -1.217 4.541
122 HB2 PHE 22 1HB PHE 22 -7.146 1.332 2.913
123 HB3 PHE 22 2HB PHE 22 -7.738 1.186 4.564
124 HD1 PHE 22 HD2 PHE 22 -4.755 1.109 2.424
125 HD2 PHE 22 HD1 PHE 22 -6.237 1.059 6.414
126 HE1 PHE 22 HE2 PHE 22 -2.483 1.532 3.270
127 HE2 PHE 22 HE1 PHE 22 -3.969 1.483 7.266
128 HZ PHE 22 HZ PHE 22 -2.088 1.719 5.694
129 H THR 23 H THR 23 -9.475 -0.785 4.950
130 HA THR 23 HA THR 23 -11.171 -1.700 2.792
131 HB THR 23 HB THR 23 -11.849 -1.011 5.657
132 HG1 THR 23 HG1 THR 23 -11.803 -3.249 5.942
133 HG21 THR 23 3HG2 THR 23 -13.769 -0.806 4.095
134 HG22 THR 23 1HG2 THR 23 -13.968 -2.105 5.271
135 HG23 THR 23 2HG2 THR 23 -13.511 -2.482 3.610
136 H LEU 24 H LEU 24 -10.778 1.217 4.752
137 HA LEU 24 HA LEU 24 -12.732 2.588 3.035
138 HB2 LEU 24 1HB LEU 24 -11.753 3.087 5.822
139 HB3 LEU 24 2HB LEU 24 -12.508 4.376 4.887
140 HG LEU 24 HG LEU 24 -13.867 1.747 5.442
141 HD11 LEU 24 1HD1 LEU 24 -13.160 3.487 7.407
142 HD12 LEU 24 2HD1 LEU 24 -14.569 2.428 7.457
143 HD13 LEU 24 3HD1 LEU 24 -14.745 4.106 6.942
144 HD21 LEU 24 3HD2 LEU 24 -14.551 4.251 4.061
145 HD22 LEU 24 1HD2 LEU 24 -15.789 3.632 5.155
146 HD23 LEU 24 2HD2 LEU 24 -15.186 2.619 3.842
147 H LYS 25 H LYS 25 -12.237 4.656 2.186
148 HA LYS 25 HA LYS 25 -9.686 4.916 1.078
149 HB2 LYS 25 1HB LYS 25 -12.104 6.627 1.262
150 HB3 LYS 25 2HB LYS 25 -10.596 7.437 0.862
151 HG2 LYS 25 1HG LYS 25 -11.705 5.070 -0.630
152 HG3 LYS 25 2HG LYS 25 -11.918 6.754 -1.113
153 HD2 LYS 25 1HD LYS 25 -9.150 5.817 -0.594
154 HD3 LYS 25 2HD LYS 25 -9.945 5.235 -2.059
155 HE2 LYS 25 1HE LYS 25 -10.341 7.494 -2.796
156 HE3 LYS 25 2HE LYS 25 -9.716 8.139 -1.279
157 HZ1 LYS 25 3HZ LYS 25 -7.869 8.334 -2.550
158 HZ2 LYS 25 1HZ LYS 25 -8.274 7.046 -3.569
159 HZ3 LYS 25 2HZ LYS 25 -7.625 6.740 -2.037
160 H SER 26 H SER 26 -11.159 7.126 3.464
161 HA SER 26 HA SER 26 -9.147 8.722 4.157
162 HB2 SER 26 1HB SER 26 -10.993 7.264 6.055
163 HB3 SER 26 2HB SER 26 -9.943 8.589 6.555
164 HG SER 26 HG SER 26 -12.111 8.647 4.743
165 H HIS 27 H HIS 27 -9.404 5.347 5.187
166 HA HIS 27 HA HIS 27 -7.214 5.253 6.908
167 HB2 HIS 27 1HB HIS 27 -8.306 3.091 5.095
168 HB3 HIS 27 2HB HIS 27 -7.172 2.817 6.414
169 HD1 HIS 27 HD1 HIS 27 -9.899 1.427 6.422
170 HD2 HIS 27 HD2 HIS 27 -9.149 5.067 8.279
171 HE1 HIS 27 HE1 HIS 27 -11.662 1.649 8.202
172 H LEU 28 H LEU 28 -7.285 4.203 3.495
173 HA LEU 28 HA LEU 28 -4.475 3.953 3.291
174 HB2 LEU 28 1HB LEU 28 -5.731 2.715 1.756
175 HB3 LEU 28 2HB LEU 28 -6.705 4.109 1.295
176 HG LEU 28 HG LEU 28 -4.349 4.974 0.414
177 HD11 LEU 28 1HD1 LEU 28 -4.126 1.991 0.069
178 HD12 LEU 28 2HD1 LEU 28 -3.205 2.922 1.250
179 HD13 LEU 28 3HD1 LEU 28 -2.989 3.225 -0.474
180 HD21 LEU 28 3HD2 LEU 28 -5.878 2.943 -1.187
181 HD22 LEU 28 1HD2 LEU 28 -5.051 4.394 -1.752
182 HD23 LEU 28 2HD2 LEU 28 -6.535 4.536 -0.810
183 H ASN 29 H ASN 29 -6.709 6.453 2.087
184 HA ASN 29 HA ASN 29 -4.919 8.151 0.881
185 HB2 ASN 29 1HB ASN 29 -7.388 8.447 0.897
186 HB3 ASN 29 2HB ASN 29 -7.285 9.006 2.564
187 HD21 ASN 29 1HD2 ASN 29 -7.941 11.063 2.308
188 HD22 ASN 29 2HD2 ASN 29 -7.116 12.238 1.348
189 H GLN 30 H GLN 30 -5.663 7.855 4.317
190 HA GLN 30 HA GLN 30 -3.935 10.045 5.049
191 HB2 GLN 30 1HB GLN 30 -6.004 9.408 6.322
192 HB3 GLN 30 2HB GLN 30 -5.167 7.953 6.848
193 HG2 GLN 30 1HG GLN 30 -3.505 9.277 7.993
194 HG3 GLN 30 2HG GLN 30 -4.239 10.763 7.394
195 HE21 GLN 30 1HE2 GLN 30 -3.777 9.946 10.130
196 HE22 GLN 30 2HE2 GLN 30 -5.321 9.920 10.903
197 H HIS 31 H HIS 31 -3.626 6.661 4.536
198 HA HIS 31 HA HIS 31 -1.299 6.282 6.169
199 HB2 HIS 31 1HB HIS 31 -2.375 4.271 5.853
200 HB3 HIS 31 2HB HIS 31 -2.816 4.645 4.190
201 HD1 HIS 31 HD1 HIS 31 -0.046 3.228 6.261
202 HD2 HIS 31 HD2 HIS 31 -0.918 3.933 2.261
203 HE1 HIS 31 HE1 HIS 31 1.701 1.971 4.960
204 H GLN 32 H GLN 32 -1.899 6.766 2.709
205 HA GLN 32 HA GLN 32 0.627 6.421 1.689
206 HB2 GLN 32 1HB GLN 32 -1.629 8.241 0.936
207 HB3 GLN 32 2HB GLN 32 -0.096 8.358 0.084
208 HG2 GLN 32 1HG GLN 32 -0.261 5.986 -0.514
209 HG3 GLN 32 2HG GLN 32 -1.817 5.899 0.310
210 HE21 GLN 32 1HE2 GLN 32 -2.930 5.335 -1.538
211 HE22 GLN 32 2HE2 GLN 32 -3.222 6.447 -2.828
212 H ARG 33 H ARG 33 -0.429 8.815 3.880
213 HA ARG 33 HA ARG 33 1.316 10.928 3.288
214 HB2 ARG 33 1HB ARG 33 0.187 10.051 5.952
215 HB3 ARG 33 2HB ARG 33 0.985 11.590 5.661
216 HG2 ARG 33 1HG ARG 33 -0.819 11.878 3.814
217 HG3 ARG 33 2HG ARG 33 -1.681 10.636 4.724
218 HD2 ARG 33 1HD ARG 33 -2.492 12.522 5.737
219 HD3 ARG 33 2HD ARG 33 -1.098 12.187 6.764
220 HE ARG 33 HE ARG 33 -0.595 13.968 4.541
221 HH11 ARG 33 1HH1 ARG 33 -1.474 13.669 7.896
222 HH12 ARG 33 2HH1 ARG 33 -0.990 15.282 8.302
223 HH21 ARG 33 1HH2 ARG 33 0.046 16.094 5.062
224 HH22 ARG 33 2HH2 ARG 33 -0.126 16.661 6.689
225 H ILE 34 H ILE 34 1.785 7.948 5.077
226 HA ILE 34 HA ILE 34 4.224 8.596 6.321
227 HB ILE 34 HB ILE 34 4.487 6.304 6.789
228 HG12 ILE 34 1HG1 ILE 34 2.569 5.696 4.529
229 HG13 ILE 34 2HG1 ILE 34 4.318 5.516 4.444
230 HG21 ILE 34 1HG2 ILE 34 2.723 6.477 8.129
231 HG22 ILE 34 2HG2 ILE 34 1.875 7.498 6.970
232 HG23 ILE 34 3HG2 ILE 34 1.753 5.743 6.852
233 HD11 ILE 34 3HD1 ILE 34 3.967 3.970 6.512
234 HD12 ILE 34 1HD1 ILE 34 2.311 3.881 5.912
235 HD13 ILE 34 2HD1 ILE 34 3.651 3.371 4.883
236 H HIS 35 H HIS 35 3.508 8.261 3.070
237 HA HIS 35 HA HIS 35 6.311 7.628 2.415
238 HB2 HIS 35 1HB HIS 35 3.914 7.326 0.598
239 HB3 HIS 35 2HB HIS 35 5.560 6.786 0.280
240 HD1 HIS 35 HD1 HIS 35 6.420 4.926 2.169
241 HD2 HIS 35 HD2 HIS 35 2.334 5.357 1.550
242 HE1 HIS 35 HE1 HIS 35 5.378 2.820 3.065
243 H THR 36 H THR 36 4.880 10.234 3.064
244 HA THR 36 HA THR 36 5.753 11.686 0.652
245 HB THR 36 HB THR 36 4.029 13.375 1.064
246 HG1 THR 36 HG1 THR 36 2.314 12.530 2.633
247 HG21 THR 36 3HG2 THR 36 2.106 11.313 1.027
248 HG22 THR 36 1HG2 THR 36 3.548 10.672 0.240
249 HG23 THR 36 2HG2 THR 36 2.809 12.161 -0.350
250 H GLY 37 H GLY 37 5.276 11.825 4.163
251 HA2 GLY 37 1HA GLY 37 7.433 13.843 4.267
252 HA3 GLY 37 2HA GLY 37 6.038 13.900 5.334
253 H GLU 38 H GLU 38 5.892 11.116 5.902
254 HA GLU 38 HA GLU 38 7.713 10.971 8.058
255 HB2 GLU 38 1HB GLU 38 5.384 9.832 7.705
256 HB3 GLU 38 2HB GLU 38 6.330 8.545 6.971
257 HG2 GLU 38 1HG GLU 38 6.880 9.602 9.727
258 HG3 GLU 38 2HG GLU 38 5.768 8.271 9.410
259 H LYS 39 H LYS 39 9.804 10.538 7.952
260 HA LYS 39 HA LYS 39 10.766 8.725 5.837
261 HB2 LYS 39 1HB LYS 39 11.637 10.962 5.525
262 HB3 LYS 39 2HB LYS 39 12.174 11.027 7.198
263 HG2 LYS 39 1HG LYS 39 13.778 9.236 6.752
264 HG3 LYS 39 2HG LYS 39 13.242 9.181 5.071
265 HD2 LYS 39 1HD LYS 39 14.324 11.678 6.358
266 HD3 LYS 39 2HD LYS 39 15.353 10.504 5.534
267 HE2 LYS 39 1HE LYS 39 14.928 11.953 3.813
268 HE3 LYS 39 2HE LYS 39 13.597 10.817 3.601
269 HZ1 LYS 39 3HZ LYS 39 12.288 12.594 3.697
270 HZ2 LYS 39 1HZ LYS 39 13.524 13.596 4.273
271 HZ3 LYS 39 2HZ LYS 39 12.622 12.659 5.354
272 HA PRO 40 HA PRO 40 11.487 6.498 9.799
273 HB2 PRO 40 1HB PRO 40 11.016 4.040 8.746
274 HB3 PRO 40 2HB PRO 40 9.727 5.093 9.340
275 HG2 PRO 40 1HG PRO 40 10.656 4.635 6.531
276 HG3 PRO 40 2HG PRO 40 9.001 4.755 7.157
277 HD2 PRO 40 1HD PRO 40 10.239 6.814 5.908
278 HD3 PRO 40 2HD PRO 40 9.052 7.059 7.205
279 H SER 41 H SER 41 12.468 5.369 6.559
280 HA SER 41 HA SER 41 14.368 4.278 5.870
281 HB2 SER 41 1HB SER 41 15.276 6.728 7.343
282 HB3 SER 41 2HB SER 41 16.472 5.624 6.664
283 HG SER 41 HG SER 41 14.855 7.422 5.408
284 H GLY 42 H GLY 42 13.323 2.878 7.963
285 HA2 GLY 42 1HA GLY 42 15.743 2.090 9.464
286 HA3 GLY 42 2HA GLY 42 14.149 2.113 10.205
287 HA PRO 43 HA PRO 43 13.423 -2.039 9.024
288 HB2 PRO 43 1HB PRO 43 10.810 -2.022 8.287
289 HB3 PRO 43 2HB PRO 43 11.336 -1.859 9.967
290 HG2 PRO 43 1HG PRO 43 10.500 0.264 8.029
291 HG3 PRO 43 2HG PRO 43 10.082 0.087 9.743
292 HD2 PRO 43 1HD PRO 43 11.994 1.799 8.879
293 HD3 PRO 43 2HD PRO 43 12.084 0.983 10.453
294 H SER 44 H SER 44 13.526 0.372 6.750
295 HA SER 44 HA SER 44 13.307 0.453 4.446
296 HB2 SER 44 1HB SER 44 15.087 -1.901 5.065
297 HB3 SER 44 2HB SER 44 14.836 -1.332 3.415
298 HG SER 44 HG SER 44 16.400 -0.009 3.896
299 H SER 45 H SER 45 10.990 -0.670 5.453
300 HA SER 45 HA SER 45 10.449 -3.081 3.910
301 HB2 SER 45 1HB SER 45 8.355 -3.183 5.092
302 HB3 SER 45 2HB SER 45 9.615 -2.803 6.266
303 HG SER 45 HG SER 45 8.977 -0.534 5.870
304 H GLY 46 H GLY 46 8.137 -3.056 2.864
305 HA2 GLY 46 1HA GLY 46 6.828 -0.925 1.839
306 HA3 GLY 46 2HA GLY 46 8.248 -1.027 0.807
Start of MODEL 18
1 H1 GLY 1 H GLY 1 9.065 -26.786 4.358
2 HA2 GLY 1 1HA GLY 1 6.660 -28.133 5.189
3 HA3 GLY 1 2HA GLY 1 7.458 -26.809 6.025
4 H SER 2 H SER 2 6.206 -25.090 6.217
5 HA SER 2 HA SER 2 4.451 -24.376 3.962
6 HB2 SER 2 1HB SER 2 2.968 -25.221 5.618
7 HB3 SER 2 2HB SER 2 3.818 -24.379 6.914
8 HG SER 2 HG SER 2 2.318 -23.178 4.823
9 H SER 3 H SER 3 5.903 -22.848 3.181
10 HA SER 3 HA SER 3 6.880 -20.753 4.923
11 HB2 SER 3 1HB SER 3 7.995 -19.898 2.899
12 HB3 SER 3 2HB SER 3 8.323 -21.614 3.132
13 HG SER 3 HG SER 3 6.130 -21.418 1.671
14 H GLY 4 H GLY 4 4.104 -20.814 4.893
15 HA2 GLY 4 1HA GLY 4 2.362 -19.315 4.794
16 HA3 GLY 4 2HA GLY 4 3.513 -18.115 4.227
17 H SER 5 H SER 5 0.724 -19.507 3.431
18 HA SER 5 HA SER 5 1.301 -19.768 0.569
19 HB2 SER 5 1HB SER 5 0.042 -21.616 1.425
20 HB3 SER 5 2HB SER 5 -1.099 -20.544 2.236
21 HG SER 5 HG SER 5 -1.795 -19.847 0.179
22 H SER 6 H SER 6 -1.302 -18.353 2.561
23 HA SER 6 HA SER 6 -1.412 -16.118 0.641
24 HB2 SER 6 1HB SER 6 -3.684 -17.436 2.144
25 HB3 SER 6 2HB SER 6 -3.843 -15.945 1.215
26 HG SER 6 HG SER 6 -4.397 -17.956 0.094
27 H GLY 7 H GLY 7 0.001 -14.843 1.875
28 HA2 GLY 7 1HA GLY 7 -0.951 -14.099 4.562
29 HA3 GLY 7 2HA GLY 7 0.689 -13.877 3.972
30 H SER 8 H SER 8 0.741 -12.438 1.898
31 HA SER 8 HA SER 8 -0.026 -9.861 2.650
32 HB2 SER 8 1HB SER 8 0.654 -10.891 -0.116
33 HB3 SER 8 2HB SER 8 0.618 -9.194 0.360
34 HG SER 8 HG SER 8 2.477 -9.423 1.340
35 H SER 9 H SER 9 -2.022 -9.103 2.820
36 HA SER 9 HA SER 9 -4.099 -10.099 1.005
37 HB2 SER 9 1HB SER 9 -4.109 -8.934 3.751
38 HB3 SER 9 2HB SER 9 -5.529 -8.672 2.739
39 HG SER 9 HG SER 9 -4.938 -11.197 2.466
40 H THR 10 H THR 10 -5.414 -8.710 -0.179
41 HA THR 10 HA THR 10 -4.413 -5.948 -0.436
42 HB THR 10 HB THR 10 -3.817 -7.226 -2.418
43 HG1 THR 10 HG1 THR 10 -4.523 -5.701 -3.781
44 HG21 THR 10 3HG2 THR 10 -6.773 -7.799 -2.654
45 HG22 THR 10 1HG2 THR 10 -5.511 -8.975 -2.288
46 HG23 THR 10 2HG2 THR 10 -5.556 -8.191 -3.868
47 H LYS 11 H LYS 11 -5.901 -4.304 -0.695
48 HA LYS 11 HA LYS 11 -8.737 -5.055 -0.429
49 HB2 LYS 11 1HB LYS 11 -7.468 -4.082 1.654
50 HB3 LYS 11 2HB LYS 11 -7.680 -2.547 0.821
51 HG2 LYS 11 1HG LYS 11 -9.483 -2.755 2.327
52 HG3 LYS 11 2HG LYS 11 -10.139 -3.067 0.718
53 HD2 LYS 11 1HD LYS 11 -9.548 -5.568 1.371
54 HD3 LYS 11 2HD LYS 11 -9.729 -4.925 3.004
55 HE2 LYS 11 1HE LYS 11 -11.967 -4.239 2.567
56 HE3 LYS 11 2HE LYS 11 -11.795 -4.562 0.843
57 HZ1 LYS 11 3HZ LYS 11 -12.525 -6.339 2.941
58 HZ2 LYS 11 1HZ LYS 11 -11.196 -6.936 2.081
59 HZ3 LYS 11 2HZ LYS 11 -12.629 -6.558 1.267
60 H SER 12 H SER 12 -10.254 -3.392 -1.160
61 HA SER 12 HA SER 12 -10.046 -2.614 -3.709
62 HB2 SER 12 1HB SER 12 -11.318 -0.931 -1.536
63 HB3 SER 12 2HB SER 12 -11.667 -0.812 -3.261
64 HG SER 12 HG SER 12 -12.733 -2.466 -1.466
65 H HIS 13 H HIS 13 -9.084 -0.512 -0.997
66 HA HIS 13 HA HIS 13 -7.600 1.170 -2.887
67 HB2 HIS 13 1HB HIS 13 -8.000 1.806 0.023
68 HB3 HIS 13 2HB HIS 13 -7.711 2.910 -1.317
69 HD1 HIS 13 HD1 HIS 13 -9.818 2.927 -3.128
70 HD2 HIS 13 HD2 HIS 13 -10.595 1.698 0.764
71 HE1 HIS 13 HE1 HIS 13 -12.306 3.144 -2.839
72 H GLN 14 H GLN 14 -5.890 -0.379 -3.146
73 HA GLN 14 HA GLN 14 -4.241 -0.937 -0.811
74 HB2 GLN 14 1HB GLN 14 -4.643 -2.770 -2.356
75 HB3 GLN 14 2HB GLN 14 -3.995 -1.824 -3.690
76 HG2 GLN 14 1HG GLN 14 -1.815 -1.760 -2.438
77 HG3 GLN 14 2HG GLN 14 -2.509 -2.946 -1.334
78 HE21 GLN 14 1HE2 GLN 14 -0.210 -3.328 -2.939
79 HE22 GLN 14 2HE2 GLN 14 -0.549 -4.606 -4.051
80 H CYS 15 H CYS 15 -2.155 -0.211 -0.525
81 HA CYS 15 HA CYS 15 -1.525 2.309 -1.730
82 HB2 CYS 15 1HB CYS 15 -1.030 1.600 0.671
83 HB3 CYS 15 2HB CYS 15 0.306 0.663 0.012
84 H HIS 16 H HIS 16 0.562 2.791 -2.742
85 HA HIS 16 HA HIS 16 1.441 0.569 -4.464
86 HB2 HIS 16 1HB HIS 16 0.313 2.544 -5.567
87 HB3 HIS 16 2HB HIS 16 1.692 3.519 -5.067
88 HD1 HIS 16 HD1 HIS 16 3.808 3.344 -6.446
89 HD2 HIS 16 HD2 HIS 16 0.908 0.584 -7.557
90 HE1 HIS 16 HE1 HIS 16 4.635 2.327 -8.592
91 H GLU 17 H GLU 17 2.412 2.885 -2.126
92 HA GLU 17 HA GLU 17 5.202 2.898 -2.770
93 HB2 GLU 17 1HB GLU 17 3.990 3.593 -0.099
94 HB3 GLU 17 2HB GLU 17 5.501 4.173 -0.785
95 HG2 GLU 17 1HG GLU 17 2.756 4.812 -1.839
96 HG3 GLU 17 2HG GLU 17 3.735 5.870 -0.825
97 H CYS 18 H CYS 18 3.168 1.179 -0.442
98 HA CYS 18 HA CYS 18 5.443 -0.615 0.101
99 HB2 CYS 18 1HB CYS 18 4.468 -1.021 2.325
100 HB3 CYS 18 2HB CYS 18 4.859 0.680 2.090
101 H GLY 19 H GLY 19 1.942 -0.365 -0.320
102 HA2 GLY 19 1HA GLY 19 0.763 -1.958 -1.673
103 HA3 GLY 19 2HA GLY 19 1.941 -3.174 -1.200
104 H ARG 20 H ARG 20 0.370 -0.945 1.017
105 HA ARG 20 HA ARG 20 -0.562 -3.165 2.608
106 HB2 ARG 20 1HB ARG 20 -0.399 -0.210 2.937
107 HB3 ARG 20 2HB ARG 20 -1.587 -1.074 3.904
108 HG2 ARG 20 1HG ARG 20 0.374 -2.603 4.562
109 HG3 ARG 20 2HG ARG 20 1.395 -1.305 3.939
110 HD2 ARG 20 1HD ARG 20 0.568 0.237 5.526
111 HD3 ARG 20 2HD ARG 20 -0.769 -0.823 5.968
112 HE ARG 20 HE ARG 20 0.632 -1.948 7.392
113 HH11 ARG 20 1HH1 ARG 20 2.518 0.056 5.259
114 HH12 ARG 20 2HH1 ARG 20 4.002 -0.206 6.114
115 HH21 ARG 20 1HH2 ARG 20 2.580 -2.300 8.525
116 HH22 ARG 20 2HH2 ARG 20 4.037 -1.547 7.971
117 H GLY 21 H GLY 21 -2.831 -3.129 3.485
118 HA2 GLY 21 1HA GLY 21 -4.724 -2.386 1.338
119 HA3 GLY 21 2HA GLY 21 -4.851 -3.887 2.243
120 H PHE 22 H PHE 22 -6.306 -1.055 1.900
121 HA PHE 22 HA PHE 22 -7.091 -0.932 4.736
122 HB2 PHE 22 1HB PHE 22 -6.909 1.416 2.837
123 HB3 PHE 22 2HB PHE 22 -7.392 1.480 4.528
124 HD1 PHE 22 HD2 PHE 22 -4.594 1.109 2.208
125 HD2 PHE 22 HD1 PHE 22 -5.761 1.296 6.297
126 HE1 PHE 22 HE2 PHE 22 -2.246 1.451 2.859
127 HE2 PHE 22 HE1 PHE 22 -3.414 1.639 6.955
128 HZ PHE 22 HZ PHE 22 -1.653 1.716 5.235
129 H THR 23 H THR 23 -9.230 -0.950 5.161
130 HA THR 23 HA THR 23 -11.046 -1.761 3.159
131 HB THR 23 HB THR 23 -12.800 -1.276 4.960
132 HG1 THR 23 HG1 THR 23 -12.126 -0.512 6.854
133 HG21 THR 23 3HG2 THR 23 -11.975 -3.507 4.648
134 HG22 THR 23 1HG2 THR 23 -12.005 -3.178 6.380
135 HG23 THR 23 2HG2 THR 23 -10.478 -3.127 5.498
136 H LEU 24 H LEU 24 -10.964 1.262 5.058
137 HA LEU 24 HA LEU 24 -12.810 2.523 3.220
138 HB2 LEU 24 1HB LEU 24 -11.402 3.478 5.701
139 HB3 LEU 24 2HB LEU 24 -12.440 4.515 4.725
140 HG LEU 24 HG LEU 24 -14.215 2.637 5.161
141 HD11 LEU 24 1HD1 LEU 24 -13.262 2.241 7.819
142 HD12 LEU 24 2HD1 LEU 24 -12.038 1.684 6.679
143 HD13 LEU 24 3HD1 LEU 24 -13.677 1.039 6.597
144 HD21 LEU 24 3HD2 LEU 24 -14.614 4.840 5.901
145 HD22 LEU 24 1HD2 LEU 24 -13.321 4.756 7.098
146 HD23 LEU 24 2HD2 LEU 24 -14.797 3.818 7.328
147 H LYS 25 H LYS 25 -12.363 4.385 1.988
148 HA LYS 25 HA LYS 25 -9.814 4.385 0.730
149 HB2 LYS 25 1HB LYS 25 -11.892 4.960 -0.462
150 HB3 LYS 25 2HB LYS 25 -12.059 6.402 0.531
151 HG2 LYS 25 1HG LYS 25 -11.151 7.204 -1.443
152 HG3 LYS 25 2HG LYS 25 -9.747 7.049 -0.385
153 HD2 LYS 25 1HD LYS 25 -9.173 4.927 -1.420
154 HD3 LYS 25 2HD LYS 25 -10.615 5.009 -2.434
155 HE2 LYS 25 1HE LYS 25 -9.761 6.742 -3.723
156 HE3 LYS 25 2HE LYS 25 -8.597 7.218 -2.489
157 HZ1 LYS 25 3HZ LYS 25 -7.817 4.712 -3.056
158 HZ2 LYS 25 1HZ LYS 25 -7.159 6.101 -3.764
159 HZ3 LYS 25 2HZ LYS 25 -8.365 5.231 -4.570
160 H SER 26 H SER 26 -11.286 6.291 3.260
161 HA SER 26 HA SER 26 -9.391 8.414 3.225
162 HB2 SER 26 1HB SER 26 -10.311 8.871 5.545
163 HB3 SER 26 2HB SER 26 -11.506 8.846 4.248
164 HG SER 26 HG SER 26 -11.014 6.429 5.517
165 H HIS 27 H HIS 27 -9.409 5.226 4.546
166 HA HIS 27 HA HIS 27 -7.466 5.602 6.578
167 HB2 HIS 27 1HB HIS 27 -8.496 3.194 5.099
168 HB3 HIS 27 2HB HIS 27 -7.164 3.054 6.242
169 HD1 HIS 27 HD1 HIS 27 -9.995 1.729 6.628
170 HD2 HIS 27 HD2 HIS 27 -8.720 5.280 8.368
171 HE1 HIS 27 HE1 HIS 27 -11.422 2.023 8.677
172 H LEU 28 H LEU 28 -7.186 4.168 3.323
173 HA LEU 28 HA LEU 28 -4.436 3.808 3.304
174 HB2 LEU 28 1HB LEU 28 -5.739 2.820 1.592
175 HB3 LEU 28 2HB LEU 28 -6.384 4.380 1.087
176 HG LEU 28 HG LEU 28 -4.009 4.961 0.381
177 HD11 LEU 28 1HD1 LEU 28 -2.423 3.262 0.092
178 HD12 LEU 28 2HD1 LEU 28 -3.604 1.987 0.388
179 HD13 LEU 28 3HD1 LEU 28 -3.059 3.009 1.718
180 HD21 LEU 28 3HD2 LEU 28 -4.222 3.486 -1.700
181 HD22 LEU 28 1HD2 LEU 28 -5.555 4.581 -1.332
182 HD23 LEU 28 2HD2 LEU 28 -5.694 2.864 -0.951
183 H ASN 29 H ASN 29 -6.328 6.640 2.313
184 HA ASN 29 HA ASN 29 -4.274 8.216 1.313
185 HB2 ASN 29 1HB ASN 29 -6.687 8.773 1.159
186 HB3 ASN 29 2HB ASN 29 -6.684 9.167 2.876
187 HD21 ASN 29 1HD2 ASN 29 -7.326 11.282 2.431
188 HD22 ASN 29 2HD2 ASN 29 -6.227 12.452 1.792
189 H GLN 30 H GLN 30 -5.626 8.341 4.614
190 HA GLN 30 HA GLN 30 -3.743 10.098 5.678
191 HB2 GLN 30 1HB GLN 30 -5.739 9.669 6.908
192 HB3 GLN 30 2HB GLN 30 -5.410 7.943 6.970
193 HG2 GLN 30 1HG GLN 30 -4.951 8.820 9.116
194 HG3 GLN 30 2HG GLN 30 -3.399 8.464 8.360
195 HE21 GLN 30 1HE2 GLN 30 -2.306 10.302 7.308
196 HE22 GLN 30 2HE2 GLN 30 -2.440 11.860 8.044
197 H HIS 31 H HIS 31 -3.407 6.828 4.765
198 HA HIS 31 HA HIS 31 -1.147 6.304 6.505
199 HB2 HIS 31 1HB HIS 31 -2.269 4.324 6.174
200 HB3 HIS 31 2HB HIS 31 -2.726 4.733 4.523
201 HD1 HIS 31 HD1 HIS 31 0.225 3.470 6.512
202 HD2 HIS 31 HD2 HIS 31 -1.066 3.743 2.573
203 HE1 HIS 31 HE1 HIS 31 1.869 2.121 5.171
204 H GLN 32 H GLN 32 -1.753 6.922 3.075
205 HA GLN 32 HA GLN 32 0.843 6.530 2.122
206 HB2 GLN 32 1HB GLN 32 -1.530 8.074 1.186
207 HB3 GLN 32 2HB GLN 32 0.018 8.383 0.411
208 HG2 GLN 32 1HG GLN 32 0.136 5.829 0.120
209 HG3 GLN 32 2HG GLN 32 -1.594 5.866 0.458
210 HE21 GLN 32 1HE2 GLN 32 -1.687 4.956 -1.729
211 HE22 GLN 32 2HE2 GLN 32 -1.714 6.042 -3.073
212 H ARG 33 H ARG 33 -0.378 8.945 4.173
213 HA ARG 33 HA ARG 33 1.238 11.138 3.476
214 HB2 ARG 33 1HB ARG 33 0.397 10.521 6.298
215 HB3 ARG 33 2HB ARG 33 0.604 12.092 5.536
216 HG2 ARG 33 1HG ARG 33 -1.634 10.130 5.207
217 HG3 ARG 33 2HG ARG 33 -1.704 11.819 5.713
218 HD2 ARG 33 1HD ARG 33 -0.854 10.918 2.967
219 HD3 ARG 33 2HD ARG 33 -2.503 11.383 3.380
220 HE ARG 33 HE ARG 33 -1.123 13.535 4.162
221 HH11 ARG 33 1HH1 ARG 33 -1.023 11.678 1.219
222 HH12 ARG 33 2HH1 ARG 33 -0.565 13.025 0.231
223 HH21 ARG 33 1HH2 ARG 33 -0.521 15.317 2.871
224 HH22 ARG 33 2HH2 ARG 33 -0.280 15.094 1.172
225 H ILE 34 H ILE 34 2.070 8.135 4.760
226 HA ILE 34 HA ILE 34 4.372 9.037 6.261
227 HB ILE 34 HB ILE 34 4.776 6.785 6.805
228 HG12 ILE 34 1HG1 ILE 34 2.975 6.041 4.490
229 HG13 ILE 34 2HG1 ILE 34 4.723 5.845 4.553
230 HG21 ILE 34 1HG2 ILE 34 2.152 5.987 6.963
231 HG22 ILE 34 2HG2 ILE 34 2.993 7.006 8.130
232 HG23 ILE 34 3HG2 ILE 34 2.027 7.743 6.852
233 HD11 ILE 34 3HD1 ILE 34 3.940 3.722 4.995
234 HD12 ILE 34 1HD1 ILE 34 4.248 4.364 6.608
235 HD13 ILE 34 2HD1 ILE 34 2.600 4.309 5.980
236 H HIS 35 H HIS 35 3.648 7.952 3.045
237 HA HIS 35 HA HIS 35 6.436 7.499 2.374
238 HB2 HIS 35 1HB HIS 35 4.025 7.513 0.549
239 HB3 HIS 35 2HB HIS 35 5.622 6.870 0.179
240 HD1 HIS 35 HD1 HIS 35 6.327 4.907 2.116
241 HD2 HIS 35 HD2 HIS 35 2.322 5.535 1.208
242 HE1 HIS 35 HE1 HIS 35 5.137 2.814 2.841
243 H THR 36 H THR 36 5.006 10.196 3.056
244 HA THR 36 HA THR 36 6.611 11.764 1.245
245 HB THR 36 HB THR 36 4.523 11.442 -0.061
246 HG1 THR 36 HG1 THR 36 5.033 13.365 -0.758
247 HG21 THR 36 3HG2 THR 36 2.960 13.269 1.616
248 HG22 THR 36 1HG2 THR 36 3.232 11.683 2.337
249 HG23 THR 36 2HG2 THR 36 2.460 11.813 0.756
250 H GLY 37 H GLY 37 7.286 13.611 2.191
251 HA2 GLY 37 1HA GLY 37 5.815 14.571 4.557
252 HA3 GLY 37 2HA GLY 37 7.545 14.278 4.654
253 H GLU 38 H GLU 38 8.227 16.338 5.031
254 HA GLU 38 HA GLU 38 7.684 18.291 2.891
255 HB2 GLU 38 1HB GLU 38 8.217 18.931 5.796
256 HB3 GLU 38 2HB GLU 38 7.818 20.076 4.523
257 HG2 GLU 38 1HG GLU 38 5.906 17.874 5.069
258 HG3 GLU 38 2HG GLU 38 6.012 19.197 6.229
259 H LYS 39 H LYS 39 9.923 16.262 3.712
260 HA LYS 39 HA LYS 39 12.140 18.161 3.307
261 HB2 LYS 39 1HB LYS 39 11.901 16.837 5.579
262 HB3 LYS 39 2HB LYS 39 12.602 15.526 4.640
263 HG2 LYS 39 1HG LYS 39 13.904 18.214 4.672
264 HG3 LYS 39 2HG LYS 39 14.147 17.084 6.005
265 HD2 LYS 39 1HD LYS 39 14.527 16.157 3.190
266 HD3 LYS 39 2HD LYS 39 15.796 17.097 3.979
267 HE2 LYS 39 1HE LYS 39 15.469 15.379 5.915
268 HE3 LYS 39 2HE LYS 39 14.739 14.384 4.656
269 HZ1 LYS 39 3HZ LYS 39 17.112 15.393 3.624
270 HZ2 LYS 39 1HZ LYS 39 16.768 13.792 4.048
271 HZ3 LYS 39 2HZ LYS 39 17.469 14.834 5.181
272 HA PRO 40 HA PRO 40 12.815 15.866 -0.416
273 HB2 PRO 40 1HB PRO 40 15.245 16.911 -1.026
274 HB3 PRO 40 2HB PRO 40 13.734 17.801 -1.248
275 HG2 PRO 40 1HG PRO 40 15.722 17.972 0.983
276 HG3 PRO 40 2HG PRO 40 14.875 19.280 0.137
277 HD2 PRO 40 1HD PRO 40 14.095 18.371 2.565
278 HD3 PRO 40 2HD PRO 40 12.945 18.994 1.365
279 H SER 41 H SER 41 13.680 13.923 -0.858
280 HA SER 41 HA SER 41 15.680 12.864 1.006
281 HB2 SER 41 1HB SER 41 13.601 11.577 0.811
282 HB3 SER 41 2HB SER 41 13.852 11.416 -0.927
283 HG SER 41 HG SER 41 14.743 9.829 0.962
284 H GLY 42 H GLY 42 14.992 13.201 -2.450
285 HA2 GLY 42 1HA GLY 42 17.393 13.816 -3.437
286 HA3 GLY 42 2HA GLY 42 17.590 12.093 -3.155
287 HA PRO 43 HA PRO 43 15.897 11.288 -7.118
288 HB2 PRO 43 1HB PRO 43 14.826 8.826 -6.714
289 HB3 PRO 43 2HB PRO 43 16.567 9.111 -6.821
290 HG2 PRO 43 1HG PRO 43 14.848 8.775 -4.393
291 HG3 PRO 43 2HG PRO 43 16.450 8.094 -4.733
292 HD2 PRO 43 1HD PRO 43 16.094 10.266 -3.154
293 HD3 PRO 43 2HD PRO 43 17.538 10.045 -4.163
294 H SER 44 H SER 44 13.811 10.474 -8.177
295 HA SER 44 HA SER 44 11.648 11.054 -8.651
296 HB2 SER 44 1HB SER 44 10.013 10.157 -7.066
297 HB3 SER 44 2HB SER 44 11.358 9.033 -7.259
298 HG SER 44 HG SER 44 11.368 10.947 -5.191
299 H SER 45 H SER 45 13.086 13.286 -7.921
300 HA SER 45 HA SER 45 12.907 15.425 -7.157
301 HB2 SER 45 1HB SER 45 10.779 15.021 -8.640
302 HB3 SER 45 2HB SER 45 9.924 15.123 -7.101
303 HG SER 45 HG SER 45 11.319 17.155 -6.899
304 H GLY 46 H GLY 46 13.248 13.485 -5.136
305 HA2 GLY 46 1HA GLY 46 12.964 13.122 -2.874
306 HA3 GLY 46 2HA GLY 46 12.951 14.879 -2.819
Start of MODEL 19
1 H1 GLY 1 H GLY 1 14.583 -9.654 -2.468
2 HA2 GLY 1 1HA GLY 1 13.398 -11.787 -2.642
3 HA3 GLY 1 2HA GLY 1 12.461 -10.687 -1.641
4 H SER 2 H SER 2 12.200 -12.843 -4.063
5 HA SER 2 HA SER 2 10.584 -11.627 -5.990
6 HB2 SER 2 1HB SER 2 9.899 -13.853 -6.617
7 HB3 SER 2 2HB SER 2 11.599 -13.918 -6.151
8 HG SER 2 HG SER 2 10.731 -15.569 -5.057
9 H SER 3 H SER 3 9.716 -13.228 -2.949
10 HA SER 3 HA SER 3 6.933 -13.072 -3.223
11 HB2 SER 3 1HB SER 3 8.498 -12.939 -0.636
12 HB3 SER 3 2HB SER 3 6.827 -13.465 -0.836
13 HG SER 3 HG SER 3 7.943 -15.323 -0.819
14 H GLY 4 H GLY 4 5.486 -11.702 -1.836
15 HA2 GLY 4 1HA GLY 4 6.423 -9.118 -1.016
16 HA3 GLY 4 2HA GLY 4 5.555 -9.058 -2.543
17 H SER 5 H SER 5 3.472 -8.607 -2.378
18 HA SER 5 HA SER 5 2.149 -8.921 0.202
19 HB2 SER 5 1HB SER 5 0.457 -7.441 -0.651
20 HB3 SER 5 2HB SER 5 2.025 -6.765 -1.095
21 HG SER 5 HG SER 5 0.050 -7.902 -2.700
22 H SER 6 H SER 6 -0.316 -9.457 -0.058
23 HA SER 6 HA SER 6 -0.418 -12.130 -1.145
24 HB2 SER 6 1HB SER 6 -1.455 -11.245 1.085
25 HB3 SER 6 2HB SER 6 -2.787 -10.728 0.052
26 HG SER 6 HG SER 6 -2.705 -13.008 -0.735
27 H GLY 7 H GLY 7 -0.325 -11.793 -3.388
28 HA2 GLY 7 1HA GLY 7 -1.249 -11.573 -5.479
29 HA3 GLY 7 2HA GLY 7 -2.816 -11.565 -4.684
30 H SER 8 H SER 8 -3.625 -10.003 -6.111
31 HA SER 8 HA SER 8 -2.464 -7.314 -5.790
32 HB2 SER 8 1HB SER 8 -2.527 -8.371 -8.128
33 HB3 SER 8 2HB SER 8 -4.274 -8.145 -8.055
34 HG SER 8 HG SER 8 -3.473 -6.329 -8.997
35 H SER 9 H SER 9 -4.113 -5.531 -6.034
36 HA SER 9 HA SER 9 -5.786 -4.460 -4.867
37 HB2 SER 9 1HB SER 9 -8.037 -5.166 -5.655
38 HB3 SER 9 2HB SER 9 -6.874 -5.013 -6.971
39 HG SER 9 HG SER 9 -7.344 -7.000 -7.424
40 H THR 10 H THR 10 -4.506 -6.259 -3.177
41 HA THR 10 HA THR 10 -5.787 -8.201 -1.843
42 HB THR 10 HB THR 10 -4.460 -5.880 -0.430
43 HG1 THR 10 HG1 THR 10 -2.561 -6.872 -0.867
44 HG21 THR 10 3HG2 THR 10 -4.073 -7.363 1.374
45 HG22 THR 10 1HG2 THR 10 -4.582 -8.764 0.432
46 HG23 THR 10 2HG2 THR 10 -5.771 -7.566 0.945
47 H LYS 11 H LYS 11 -6.356 -4.736 -1.236
48 HA LYS 11 HA LYS 11 -9.017 -5.451 -0.202
49 HB2 LYS 11 1HB LYS 11 -7.169 -4.696 1.507
50 HB3 LYS 11 2HB LYS 11 -7.542 -3.089 0.897
51 HG2 LYS 11 1HG LYS 11 -9.802 -3.252 1.618
52 HG3 LYS 11 2HG LYS 11 -9.619 -4.966 1.996
53 HD2 LYS 11 1HD LYS 11 -7.882 -2.936 3.344
54 HD3 LYS 11 2HD LYS 11 -9.531 -3.206 3.911
55 HE2 LYS 11 1HE LYS 11 -9.032 -5.589 4.199
56 HE3 LYS 11 2HE LYS 11 -7.383 -5.308 3.643
57 HZ1 LYS 11 3HZ LYS 11 -8.196 -3.603 5.819
58 HZ2 LYS 11 1HZ LYS 11 -6.777 -4.502 5.620
59 HZ3 LYS 11 2HZ LYS 11 -8.173 -5.247 6.216
60 H SER 12 H SER 12 -10.531 -3.555 -0.208
61 HA SER 12 HA SER 12 -11.150 -2.615 -2.624
62 HB2 SER 12 1HB SER 12 -11.880 -0.413 -1.294
63 HB3 SER 12 2HB SER 12 -12.721 -1.949 -1.094
64 HG SER 12 HG SER 12 -10.840 -0.720 0.606
65 H HIS 13 H HIS 13 -8.928 -0.924 -0.421
66 HA HIS 13 HA HIS 13 -7.763 0.414 -2.767
67 HB2 HIS 13 1HB HIS 13 -8.017 1.769 -0.087
68 HB3 HIS 13 2HB HIS 13 -7.615 2.493 -1.641
69 HD1 HIS 13 HD1 HIS 13 -9.659 2.538 -3.418
70 HD2 HIS 13 HD2 HIS 13 -10.660 1.868 0.558
71 HE1 HIS 13 HE1 HIS 13 -12.124 3.011 -3.256
72 H GLN 14 H GLN 14 -5.748 -0.278 -2.989
73 HA GLN 14 HA GLN 14 -4.196 -0.907 -0.568
74 HB2 GLN 14 1HB GLN 14 -4.527 -2.822 -2.053
75 HB3 GLN 14 2HB GLN 14 -3.843 -1.916 -3.396
76 HG2 GLN 14 1HG GLN 14 -1.797 -1.714 -1.726
77 HG3 GLN 14 2HG GLN 14 -2.502 -3.198 -1.087
78 HE21 GLN 14 1HE2 GLN 14 -0.159 -3.660 -1.953
79 HE22 GLN 14 2HE2 GLN 14 -0.114 -4.352 -3.536
80 H CYS 15 H CYS 15 -2.091 -0.150 -0.354
81 HA CYS 15 HA CYS 15 -1.574 2.377 -1.585
82 HB2 CYS 15 1HB CYS 15 -0.954 1.772 0.774
83 HB3 CYS 15 2HB CYS 15 0.305 0.731 0.118
84 H HIS 16 H HIS 16 0.503 2.908 -2.640
85 HA HIS 16 HA HIS 16 1.327 0.734 -4.449
86 HB2 HIS 16 1HB HIS 16 1.233 3.723 -4.891
87 HB3 HIS 16 2HB HIS 16 1.985 2.592 -6.013
88 HD1 HIS 16 HD1 HIS 16 0.276 3.247 -7.854
89 HD2 HIS 16 HD2 HIS 16 -1.424 1.569 -4.454
90 HE1 HIS 16 HE1 HIS 16 -2.087 2.674 -8.496
91 H GLU 17 H GLU 17 2.373 3.004 -2.094
92 HA GLU 17 HA GLU 17 5.140 3.028 -2.836
93 HB2 GLU 17 1HB GLU 17 4.037 3.688 -0.111
94 HB3 GLU 17 2HB GLU 17 5.507 4.292 -0.862
95 HG2 GLU 17 1HG GLU 17 2.716 4.907 -1.802
96 HG3 GLU 17 2HG GLU 17 3.699 5.959 -0.786
97 H CYS 18 H CYS 18 3.209 1.332 -0.395
98 HA CYS 18 HA CYS 18 5.502 -0.462 0.062
99 HB2 CYS 18 1HB CYS 18 4.555 -0.921 2.279
100 HB3 CYS 18 2HB CYS 18 4.875 0.797 2.069
101 H GLY 19 H GLY 19 2.012 -0.269 -0.414
102 HA2 GLY 19 1HA GLY 19 0.902 -1.883 -1.810
103 HA3 GLY 19 2HA GLY 19 2.067 -3.085 -1.274
104 H ARG 20 H ARG 20 0.625 -0.915 1.021
105 HA ARG 20 HA ARG 20 -0.476 -3.124 2.488
106 HB2 ARG 20 1HB ARG 20 -0.157 -0.200 2.924
107 HB3 ARG 20 2HB ARG 20 -1.424 -1.015 3.832
108 HG2 ARG 20 1HG ARG 20 0.470 -2.700 4.428
109 HG3 ARG 20 2HG ARG 20 1.532 -1.367 3.972
110 HD2 ARG 20 1HD ARG 20 0.653 0.039 5.649
111 HD3 ARG 20 2HD ARG 20 -0.727 -1.024 5.924
112 HE ARG 20 HE ARG 20 1.712 -2.365 6.471
113 HH11 ARG 20 1HH1 ARG 20 -0.486 0.005 7.763
114 HH12 ARG 20 2HH1 ARG 20 -0.062 -0.310 9.413
115 HH21 ARG 20 1HH2 ARG 20 2.278 -2.790 8.639
116 HH22 ARG 20 2HH2 ARG 20 1.511 -1.900 9.910
117 H GLY 21 H GLY 21 -2.777 -2.771 3.450
118 HA2 GLY 21 1HA GLY 21 -4.600 -1.931 1.285
119 HA3 GLY 21 2HA GLY 21 -4.812 -3.470 2.106
120 H PHE 22 H PHE 22 -6.560 -1.062 1.882
121 HA PHE 22 HA PHE 22 -7.199 -0.880 4.723
122 HB2 PHE 22 1HB PHE 22 -6.919 1.560 2.956
123 HB3 PHE 22 2HB PHE 22 -7.482 1.555 4.624
124 HD1 PHE 22 HD2 PHE 22 -4.568 1.080 2.436
125 HD2 PHE 22 HD1 PHE 22 -5.955 1.410 6.446
126 HE1 PHE 22 HE2 PHE 22 -2.249 1.342 3.213
127 HE2 PHE 22 HE1 PHE 22 -3.638 1.674 7.230
128 HZ PHE 22 HZ PHE 22 -1.781 1.639 5.612
129 H THR 23 H THR 23 -9.289 -1.253 5.018
130 HA THR 23 HA THR 23 -11.095 -1.792 2.986
131 HB THR 23 HB THR 23 -12.881 -1.483 4.756
132 HG1 THR 23 HG1 THR 23 -10.649 -0.452 6.075
133 HG21 THR 23 3HG2 THR 23 -12.281 -3.462 5.931
134 HG22 THR 23 1HG2 THR 23 -10.561 -3.174 5.675
135 HG23 THR 23 2HG2 THR 23 -11.593 -3.613 4.314
136 H LEU 24 H LEU 24 -10.932 1.141 5.008
137 HA LEU 24 HA LEU 24 -12.811 2.502 3.269
138 HB2 LEU 24 1HB LEU 24 -11.340 3.362 5.751
139 HB3 LEU 24 2HB LEU 24 -12.438 4.408 4.853
140 HG LEU 24 HG LEU 24 -14.183 2.544 5.284
141 HD11 LEU 24 1HD1 LEU 24 -13.135 0.753 6.209
142 HD12 LEU 24 2HD1 LEU 24 -13.551 1.619 7.688
143 HD13 LEU 24 3HD1 LEU 24 -11.921 1.740 7.025
144 HD21 LEU 24 3HD2 LEU 24 -14.504 3.510 7.662
145 HD22 LEU 24 1HD2 LEU 24 -14.600 4.597 6.276
146 HD23 LEU 24 2HD2 LEU 24 -13.132 4.539 7.252
147 H LYS 25 H LYS 25 -12.352 4.141 1.872
148 HA LYS 25 HA LYS 25 -9.781 4.259 0.725
149 HB2 LYS 25 1HB LYS 25 -11.831 4.760 -0.531
150 HB3 LYS 25 2HB LYS 25 -12.088 6.196 0.451
151 HG2 LYS 25 1HG LYS 25 -11.161 7.006 -1.523
152 HG3 LYS 25 2HG LYS 25 -9.804 6.965 -0.396
153 HD2 LYS 25 1HD LYS 25 -9.058 4.850 -1.350
154 HD3 LYS 25 2HD LYS 25 -10.439 4.844 -2.449
155 HE2 LYS 25 1HE LYS 25 -8.507 7.135 -2.409
156 HE3 LYS 25 2HE LYS 25 -8.152 5.669 -3.321
157 HZ1 LYS 25 3HZ LYS 25 -9.602 6.228 -4.898
158 HZ2 LYS 25 1HZ LYS 25 -9.589 7.781 -4.226
159 HZ3 LYS 25 2HZ LYS 25 -10.797 6.680 -3.789
160 H SER 26 H SER 26 -11.397 6.233 3.132
161 HA SER 26 HA SER 26 -9.609 8.409 3.128
162 HB2 SER 26 1HB SER 26 -10.544 8.941 5.335
163 HB3 SER 26 2HB SER 26 -11.823 8.497 4.205
164 HG SER 26 HG SER 26 -10.653 6.812 6.169
165 H HIS 27 H HIS 27 -9.601 5.338 4.859
166 HA HIS 27 HA HIS 27 -7.564 5.810 6.681
167 HB2 HIS 27 1HB HIS 27 -8.527 3.340 5.277
168 HB3 HIS 27 2HB HIS 27 -7.112 3.264 6.323
169 HD1 HIS 27 HD1 HIS 27 -9.985 1.914 6.817
170 HD2 HIS 27 HD2 HIS 27 -8.473 5.323 8.647
171 HE1 HIS 27 HE1 HIS 27 -11.239 2.124 8.986
172 H LEU 28 H LEU 28 -7.175 4.141 3.549
173 HA LEU 28 HA LEU 28 -4.440 4.006 3.467
174 HB2 LEU 28 1HB LEU 28 -5.668 2.908 1.784
175 HB3 LEU 28 2HB LEU 28 -6.454 4.401 1.275
176 HG LEU 28 HG LEU 28 -4.205 5.182 0.458
177 HD11 LEU 28 1HD1 LEU 28 -2.491 3.988 1.282
178 HD12 LEU 28 2HD1 LEU 28 -2.837 2.908 -0.068
179 HD13 LEU 28 3HD1 LEU 28 -3.477 2.548 1.535
180 HD21 LEU 28 3HD2 LEU 28 -4.966 4.540 -1.525
181 HD22 LEU 28 1HD2 LEU 28 -6.097 3.461 -0.709
182 HD23 LEU 28 2HD2 LEU 28 -4.511 2.867 -1.200
183 H ASN 29 H ASN 29 -6.367 6.596 1.941
184 HA ASN 29 HA ASN 29 -4.518 8.279 1.003
185 HB2 ASN 29 1HB ASN 29 -6.989 8.715 1.121
186 HB3 ASN 29 2HB ASN 29 -6.760 9.256 2.781
187 HD21 ASN 29 1HD2 ASN 29 -7.868 10.950 1.010
188 HD22 ASN 29 2HD2 ASN 29 -6.766 12.219 0.611
189 H GLN 30 H GLN 30 -5.537 8.358 4.422
190 HA GLN 30 HA GLN 30 -3.597 10.209 5.256
191 HB2 GLN 30 1HB GLN 30 -5.588 9.705 6.581
192 HB3 GLN 30 2HB GLN 30 -5.011 8.066 6.852
193 HG2 GLN 30 1HG GLN 30 -3.347 8.751 8.305
194 HG3 GLN 30 2HG GLN 30 -3.356 10.404 7.695
195 HE21 GLN 30 1HE2 GLN 30 -3.389 10.134 10.328
196 HE22 GLN 30 2HE2 GLN 30 -4.949 10.484 10.984
197 H HIS 31 H HIS 31 -3.552 6.695 5.041
198 HA HIS 31 HA HIS 31 -1.164 6.241 6.450
199 HB2 HIS 31 1HB HIS 31 -2.317 4.281 6.095
200 HB3 HIS 31 2HB HIS 31 -2.765 4.716 4.449
201 HD1 HIS 31 HD1 HIS 31 -0.060 3.095 6.440
202 HD2 HIS 31 HD2 HIS 31 -0.887 4.028 2.477
203 HE1 HIS 31 HE1 HIS 31 1.628 1.818 5.083
204 H GLN 32 H GLN 32 -1.764 6.775 2.992
205 HA GLN 32 HA GLN 32 0.751 6.381 1.967
206 HB2 GLN 32 1HB GLN 32 -1.398 8.352 1.227
207 HB3 GLN 32 2HB GLN 32 0.107 8.255 0.323
208 HG2 GLN 32 1HG GLN 32 -0.368 5.839 -0.066
209 HG3 GLN 32 2HG GLN 32 -1.947 6.088 0.677
210 HE21 GLN 32 1HE2 GLN 32 -2.353 5.182 -1.611
211 HE22 GLN 32 2HE2 GLN 32 -2.672 6.367 -2.827
212 H ARG 33 H ARG 33 -0.251 8.796 4.167
213 HA ARG 33 HA ARG 33 1.516 10.882 3.598
214 HB2 ARG 33 1HB ARG 33 0.446 9.950 6.268
215 HB3 ARG 33 2HB ARG 33 1.260 11.485 5.998
216 HG2 ARG 33 1HG ARG 33 -0.501 12.213 4.524
217 HG3 ARG 33 2HG ARG 33 -1.290 10.639 4.641
218 HD2 ARG 33 1HD ARG 33 -2.506 11.824 6.178
219 HD3 ARG 33 2HD ARG 33 -1.239 11.167 7.214
220 HE ARG 33 HE ARG 33 -0.403 13.291 7.501
221 HH11 ARG 33 1HH1 ARG 33 -2.768 13.289 4.945
222 HH12 ARG 33 2HH1 ARG 33 -2.842 15.017 4.836
223 HH21 ARG 33 1HH2 ARG 33 -0.493 15.567 7.366
224 HH22 ARG 33 2HH2 ARG 33 -1.547 16.311 6.213
225 H ILE 34 H ILE 34 2.013 7.837 5.249
226 HA ILE 34 HA ILE 34 4.470 8.413 6.486
227 HB ILE 34 HB ILE 34 4.769 6.074 6.760
228 HG12 ILE 34 1HG1 ILE 34 2.697 5.674 4.591
229 HG13 ILE 34 2HG1 ILE 34 4.430 5.436 4.397
230 HG21 ILE 34 1HG2 ILE 34 2.054 7.178 7.029
231 HG22 ILE 34 2HG2 ILE 34 2.181 5.423 7.145
232 HG23 ILE 34 3HG2 ILE 34 3.110 6.448 8.239
233 HD11 ILE 34 3HD1 ILE 34 2.484 3.817 5.993
234 HD12 ILE 34 1HD1 ILE 34 3.567 3.297 4.702
235 HD13 ILE 34 2HD1 ILE 34 4.222 3.730 6.281
236 H HIS 35 H HIS 35 3.706 8.256 3.229
237 HA HIS 35 HA HIS 35 6.492 7.642 2.492
238 HB2 HIS 35 1HB HIS 35 4.065 7.550 0.691
239 HB3 HIS 35 2HB HIS 35 5.692 6.998 0.306
240 HD1 HIS 35 HD1 HIS 35 6.515 5.012 2.136
241 HD2 HIS 35 HD2 HIS 35 2.458 5.505 1.390
242 HE1 HIS 35 HE1 HIS 35 5.434 2.855 2.844
243 H THR 36 H THR 36 3.901 9.958 2.281
244 HA THR 36 HA THR 36 4.828 11.619 0.251
245 HB THR 36 HB THR 36 3.577 13.441 1.369
246 HG1 THR 36 HG1 THR 36 4.133 12.248 3.552
247 HG21 THR 36 3HG2 THR 36 2.313 10.733 1.079
248 HG22 THR 36 1HG2 THR 36 2.228 12.116 -0.012
249 HG23 THR 36 2HG2 THR 36 1.358 12.148 1.522
250 H GLY 37 H GLY 37 6.563 12.876 0.048
251 HA2 GLY 37 1HA GLY 37 7.641 14.618 1.868
252 HA3 GLY 37 2HA GLY 37 8.463 13.098 2.184
253 H GLU 38 H GLU 38 10.387 14.343 1.578
254 HA GLU 38 HA GLU 38 11.112 13.814 -1.131
255 HB2 GLU 38 1HB GLU 38 9.918 15.895 -1.526
256 HB3 GLU 38 2HB GLU 38 10.847 16.698 -0.267
257 HG2 GLU 38 1HG GLU 38 11.865 17.412 -2.214
258 HG3 GLU 38 2HG GLU 38 12.902 16.089 -1.683
259 H LYS 39 H LYS 39 13.124 13.106 -0.978
260 HA LYS 39 HA LYS 39 14.743 13.155 1.224
261 HB2 LYS 39 1HB LYS 39 15.190 11.716 -0.683
262 HB3 LYS 39 2HB LYS 39 15.581 13.111 -1.681
263 HG2 LYS 39 1HG LYS 39 17.442 13.584 -0.013
264 HG3 LYS 39 2HG LYS 39 17.144 11.958 0.605
265 HD2 LYS 39 1HD LYS 39 17.416 11.179 -1.813
266 HD3 LYS 39 2HD LYS 39 18.088 12.780 -2.128
267 HE2 LYS 39 1HE LYS 39 19.977 11.518 -1.677
268 HE3 LYS 39 2HE LYS 39 19.631 12.261 -0.116
269 HZ1 LYS 39 3HZ LYS 39 18.350 10.138 0.369
270 HZ2 LYS 39 1HZ LYS 39 20.039 10.029 0.357
271 HZ3 LYS 39 2HZ LYS 39 19.146 9.472 -0.967
272 HA PRO 40 HA PRO 40 16.097 17.344 1.611
273 HB2 PRO 40 1HB PRO 40 18.126 16.905 3.361
274 HB3 PRO 40 2HB PRO 40 16.423 16.863 3.834
275 HG2 PRO 40 1HG PRO 40 18.272 14.593 3.207
276 HG3 PRO 40 2HG PRO 40 17.086 14.741 4.517
277 HD2 PRO 40 1HD PRO 40 16.594 13.328 2.261
278 HD3 PRO 40 2HD PRO 40 15.317 14.182 3.150
279 H SER 41 H SER 41 17.344 18.505 0.295
280 HA SER 41 HA SER 41 19.316 17.322 -1.362
281 HB2 SER 41 1HB SER 41 19.735 19.632 -2.143
282 HB3 SER 41 2HB SER 41 18.013 19.251 -2.110
283 HG SER 41 HG SER 41 18.859 21.339 -1.134
284 H GLY 42 H GLY 42 19.664 19.884 1.105
285 HA2 GLY 42 1HA GLY 42 22.350 20.163 1.235
286 HA3 GLY 42 2HA GLY 42 21.339 20.192 2.672
287 HA PRO 43 HA PRO 43 23.946 16.120 2.128
288 HB2 PRO 43 1HB PRO 43 26.537 16.879 2.417
289 HB3 PRO 43 2HB PRO 43 25.752 16.721 0.841
290 HG2 PRO 43 1HG PRO 43 26.258 19.183 2.467
291 HG3 PRO 43 2HG PRO 43 26.457 18.934 0.723
292 HD2 PRO 43 1HD PRO 43 24.302 20.188 1.779
293 HD3 PRO 43 2HD PRO 43 24.209 19.211 0.299
294 H SER 44 H SER 44 25.827 15.421 3.798
295 HA SER 44 HA SER 44 25.866 16.820 6.283
296 HB2 SER 44 1HB SER 44 23.526 15.616 6.057
297 HB3 SER 44 2HB SER 44 24.456 14.192 6.523
298 HG SER 44 HG SER 44 23.446 15.666 8.217
299 H SER 45 H SER 45 27.744 16.340 7.198
300 HA SER 45 HA SER 45 29.480 14.376 6.186
301 HB2 SER 45 1HB SER 45 30.876 14.909 8.202
302 HB3 SER 45 2HB SER 45 30.381 16.329 7.282
303 HG SER 45 HG SER 45 28.934 16.847 8.837
304 H GLY 46 H GLY 46 27.719 14.489 9.287
305 HA2 GLY 46 1HA GLY 46 27.126 12.820 10.749
306 HA3 GLY 46 2HA GLY 46 26.920 11.833 9.310
Start of MODEL 20
1 H1 GLY 1 H GLY 1 9.188 -10.434 3.425
2 HA2 GLY 1 1HA GLY 1 11.041 -12.070 2.185
3 HA3 GLY 1 2HA GLY 1 10.450 -12.984 3.565
4 H SER 2 H SER 2 9.399 -14.551 2.384
5 HA SER 2 HA SER 2 7.615 -13.963 0.249
6 HB2 SER 2 1HB SER 2 6.904 -16.362 0.551
7 HB3 SER 2 2HB SER 2 8.637 -16.136 0.316
8 HG SER 2 HG SER 2 8.386 -17.518 2.027
9 H SER 3 H SER 3 6.239 -12.352 1.143
10 HA SER 3 HA SER 3 3.823 -13.386 2.222
11 HB2 SER 3 1HB SER 3 5.517 -13.098 4.225
12 HB3 SER 3 2HB SER 3 5.067 -11.398 4.083
13 HG SER 3 HG SER 3 3.641 -12.321 5.496
14 H GLY 4 H GLY 4 2.173 -12.116 1.611
15 HA2 GLY 4 1HA GLY 4 2.848 -9.537 0.391
16 HA3 GLY 4 2HA GLY 4 1.374 -10.455 0.118
17 H SER 5 H SER 5 -0.196 -9.059 0.665
18 HA SER 5 HA SER 5 0.046 -7.559 3.168
19 HB2 SER 5 1HB SER 5 -0.713 -6.609 0.819
20 HB3 SER 5 2HB SER 5 -2.283 -7.238 1.319
21 HG SER 5 HG SER 5 -2.399 -5.774 2.867
22 H SER 6 H SER 6 -1.951 -7.363 4.509
23 HA SER 6 HA SER 6 -3.752 -9.646 4.406
24 HB2 SER 6 1HB SER 6 -1.831 -10.445 5.742
25 HB3 SER 6 2HB SER 6 -2.044 -9.085 6.843
26 HG SER 6 HG SER 6 -3.590 -10.137 7.790
27 H GLY 7 H GLY 7 -5.665 -9.365 5.609
28 HA2 GLY 7 1HA GLY 7 -6.014 -6.732 6.878
29 HA3 GLY 7 2HA GLY 7 -7.123 -7.237 5.612
30 H SER 8 H SER 8 -8.910 -7.157 6.989
31 HA SER 8 HA SER 8 -8.959 -9.236 9.077
32 HB2 SER 8 1HB SER 8 -10.276 -6.536 8.933
33 HB3 SER 8 2HB SER 8 -10.940 -7.808 9.959
34 HG SER 8 HG SER 8 -8.664 -6.292 10.272
35 H SER 9 H SER 9 -10.880 -7.608 6.582
36 HA SER 9 HA SER 9 -12.438 -10.085 6.284
37 HB2 SER 9 1HB SER 9 -13.525 -7.260 6.277
38 HB3 SER 9 2HB SER 9 -14.449 -8.686 5.805
39 HG SER 9 HG SER 9 -13.813 -9.480 7.998
40 H THR 10 H THR 10 -12.354 -6.917 4.659
41 HA THR 10 HA THR 10 -11.344 -8.193 2.232
42 HB THR 10 HB THR 10 -13.088 -6.958 0.874
43 HG1 THR 10 HG1 THR 10 -15.100 -6.776 2.355
44 HG21 THR 10 3HG2 THR 10 -13.125 -9.418 1.358
45 HG22 THR 10 1HG2 THR 10 -14.710 -8.711 1.053
46 HG23 THR 10 2HG2 THR 10 -14.211 -9.078 2.704
47 H LYS 11 H LYS 11 -10.905 -6.501 0.507
48 HA LYS 11 HA LYS 11 -10.265 -3.877 1.644
49 HB2 LYS 11 1HB LYS 11 -8.206 -5.081 1.888
50 HB3 LYS 11 2HB LYS 11 -8.319 -5.720 0.253
51 HG2 LYS 11 1HG LYS 11 -8.300 -3.145 -0.359
52 HG3 LYS 11 2HG LYS 11 -7.468 -3.041 1.194
53 HD2 LYS 11 1HD LYS 11 -5.750 -3.311 -0.378
54 HD3 LYS 11 2HD LYS 11 -5.972 -4.921 0.312
55 HE2 LYS 11 1HE LYS 11 -5.763 -5.131 -2.068
56 HE3 LYS 11 2HE LYS 11 -7.432 -5.482 -1.619
57 HZ1 LYS 11 3HZ LYS 11 -6.773 -2.729 -2.352
58 HZ2 LYS 11 1HZ LYS 11 -8.194 -3.608 -2.617
59 HZ3 LYS 11 2HZ LYS 11 -6.841 -3.873 -3.597
60 H SER 12 H SER 12 -10.322 -2.187 0.199
61 HA SER 12 HA SER 12 -11.157 -2.870 -2.545
62 HB2 SER 12 1HB SER 12 -12.009 -0.443 -0.949
63 HB3 SER 12 2HB SER 12 -12.586 -0.909 -2.549
64 HG SER 12 HG SER 12 -14.054 -1.983 -1.510
65 H HIS 13 H HIS 13 -9.311 -0.700 -0.494
66 HA HIS 13 HA HIS 13 -7.978 0.356 -2.901
67 HB2 HIS 13 1HB HIS 13 -7.969 1.786 -0.260
68 HB3 HIS 13 2HB HIS 13 -7.695 2.441 -1.871
69 HD1 HIS 13 HD1 HIS 13 -9.759 3.092 -3.253
70 HD2 HIS 13 HD2 HIS 13 -10.671 1.498 0.474
71 HE1 HIS 13 HE1 HIS 13 -12.204 3.564 -2.900
72 H GLN 14 H GLN 14 -5.821 0.130 -3.066
73 HA GLN 14 HA GLN 14 -4.361 -0.870 -0.712
74 HB2 GLN 14 1HB GLN 14 -4.693 -2.737 -2.197
75 HB3 GLN 14 2HB GLN 14 -4.142 -1.798 -3.577
76 HG2 GLN 14 1HG GLN 14 -1.920 -1.606 -2.356
77 HG3 GLN 14 2HG GLN 14 -2.529 -2.872 -1.291
78 HE21 GLN 14 1HE2 GLN 14 -0.286 -3.392 -2.631
79 HE22 GLN 14 2HE2 GLN 14 -0.569 -4.513 -3.915
80 H CYS 15 H CYS 15 -2.149 -0.306 -0.572
81 HA CYS 15 HA CYS 15 -1.561 2.274 -1.729
82 HB2 CYS 15 1HB CYS 15 -1.063 1.656 0.664
83 HB3 CYS 15 2HB CYS 15 0.205 0.595 0.059
84 H HIS 16 H HIS 16 0.588 2.721 -2.686
85 HA HIS 16 HA HIS 16 1.452 0.484 -4.399
86 HB2 HIS 16 1HB HIS 16 0.286 2.608 -5.400
87 HB3 HIS 16 2HB HIS 16 1.867 3.350 -5.170
88 HD1 HIS 16 HD1 HIS 16 2.262 3.563 -7.705
89 HD2 HIS 16 HD2 HIS 16 1.682 -0.342 -6.412
90 HE1 HIS 16 HE1 HIS 16 2.942 2.106 -9.639
91 H GLU 17 H GLU 17 2.388 2.802 -2.073
92 HA GLU 17 HA GLU 17 5.179 2.865 -2.742
93 HB2 GLU 17 1HB GLU 17 3.965 3.600 -0.083
94 HB3 GLU 17 2HB GLU 17 5.466 4.187 -0.786
95 HG2 GLU 17 1HG GLU 17 2.701 4.771 -1.823
96 HG3 GLU 17 2HG GLU 17 3.696 5.865 -0.864
97 H CYS 18 H CYS 18 3.157 1.135 -0.421
98 HA CYS 18 HA CYS 18 5.461 -0.605 0.173
99 HB2 CYS 18 1HB CYS 18 4.519 -0.975 2.405
100 HB3 CYS 18 2HB CYS 18 4.833 0.736 2.132
101 H GLY 19 H GLY 19 2.013 -0.383 -0.447
102 HA2 GLY 19 1HA GLY 19 0.890 -2.043 -1.749
103 HA3 GLY 19 2HA GLY 19 2.035 -3.236 -1.153
104 H ARG 20 H ARG 20 0.665 -1.003 1.098
105 HA ARG 20 HA ARG 20 -0.486 -3.124 2.625
106 HB2 ARG 20 1HB ARG 20 -0.201 -0.177 2.917
107 HB3 ARG 20 2HB ARG 20 -1.466 -0.963 3.852
108 HG2 ARG 20 1HG ARG 20 0.314 -2.545 4.694
109 HG3 ARG 20 2HG ARG 20 1.493 -1.454 3.963
110 HD2 ARG 20 1HD ARG 20 0.887 0.320 5.387
111 HD3 ARG 20 2HD ARG 20 -0.595 -0.489 5.895
112 HE ARG 20 HE ARG 20 2.011 -0.823 7.011
113 HH11 ARG 20 1HH1 ARG 20 -1.007 -2.441 6.388
114 HH12 ARG 20 2HH1 ARG 20 -0.821 -3.569 7.689
115 HH21 ARG 20 1HH2 ARG 20 2.268 -2.302 8.728
116 HH22 ARG 20 2HH2 ARG 20 1.041 -3.488 9.020
117 H GLY 21 H GLY 21 -2.766 -3.041 3.418
118 HA2 GLY 21 1HA GLY 21 -4.580 -2.220 1.233
119 HA3 GLY 21 2HA GLY 21 -4.777 -3.723 2.122
120 H PHE 22 H PHE 22 -6.280 -0.995 1.744
121 HA PHE 22 HA PHE 22 -7.110 -0.842 4.557
122 HB2 PHE 22 1HB PHE 22 -6.745 1.552 2.743
123 HB3 PHE 22 2HB PHE 22 -7.303 1.586 4.412
124 HD1 PHE 22 HD1 PHE 22 -5.744 1.061 6.248
125 HD2 PHE 22 HD2 PHE 22 -4.437 1.387 2.211
126 HE1 PHE 22 HE1 PHE 22 -3.419 1.285 7.022
127 HE2 PHE 22 HE2 PHE 22 -2.111 1.611 2.978
128 HZ PHE 22 HZ PHE 22 -1.599 1.559 5.386
129 H THR 23 H THR 23 -9.212 -1.190 4.777
130 HA THR 23 HA THR 23 -10.944 -1.609 2.606
131 HB THR 23 HB THR 23 -11.719 -1.024 5.471
132 HG1 THR 23 HG1 THR 23 -10.285 -2.806 5.306
133 HG21 THR 23 3HG2 THR 23 -13.460 -1.006 3.530
134 HG22 THR 23 1HG2 THR 23 -13.813 -1.901 5.008
135 HG23 THR 23 2HG2 THR 23 -13.251 -2.757 3.572
136 H LEU 24 H LEU 24 -10.762 1.099 4.913
137 HA LEU 24 HA LEU 24 -12.709 2.617 3.401
138 HB2 LEU 24 1HB LEU 24 -11.086 3.251 5.856
139 HB3 LEU 24 2HB LEU 24 -12.218 4.380 5.117
140 HG LEU 24 HG LEU 24 -13.964 2.505 5.486
141 HD11 LEU 24 1HD1 LEU 24 -13.102 0.620 6.310
142 HD12 LEU 24 2HD1 LEU 24 -13.014 1.479 7.847
143 HD13 LEU 24 3HD1 LEU 24 -11.602 1.412 6.793
144 HD21 LEU 24 3HD2 LEU 24 -14.401 4.369 6.724
145 HD22 LEU 24 1HD2 LEU 24 -12.792 4.405 7.445
146 HD23 LEU 24 2HD2 LEU 24 -13.992 3.251 8.027
147 H LYS 25 H LYS 25 -12.304 4.224 1.995
148 HA LYS 25 HA LYS 25 -9.825 4.469 0.744
149 HB2 LYS 25 1HB LYS 25 -11.897 5.108 -0.358
150 HB3 LYS 25 2HB LYS 25 -12.143 6.409 0.800
151 HG2 LYS 25 1HG LYS 25 -11.327 7.443 -1.136
152 HG3 LYS 25 2HG LYS 25 -9.951 7.372 -0.033
153 HD2 LYS 25 1HD LYS 25 -9.399 5.152 -1.236
154 HD3 LYS 25 2HD LYS 25 -10.490 5.742 -2.491
155 HE2 LYS 25 1HE LYS 25 -8.208 6.336 -3.034
156 HE3 LYS 25 2HE LYS 25 -9.137 7.790 -2.673
157 HZ1 LYS 25 3HZ LYS 25 -6.926 7.792 -1.642
158 HZ2 LYS 25 1HZ LYS 25 -7.338 6.412 -0.753
159 HZ3 LYS 25 2HZ LYS 25 -8.163 7.865 -0.490
160 H SER 26 H SER 26 -11.264 6.332 3.362
161 HA SER 26 HA SER 26 -9.421 8.443 3.429
162 HB2 SER 26 1HB SER 26 -11.034 7.199 5.668
163 HB3 SER 26 2HB SER 26 -10.156 8.723 5.800
164 HG SER 26 HG SER 26 -11.774 8.633 3.609
165 H HIS 27 H HIS 27 -9.412 5.301 5.066
166 HA HIS 27 HA HIS 27 -7.199 5.615 6.692
167 HB2 HIS 27 1HB HIS 27 -8.300 3.204 5.262
168 HB3 HIS 27 2HB HIS 27 -6.897 3.089 6.320
169 HD1 HIS 27 HD1 HIS 27 -9.710 1.723 6.838
170 HD2 HIS 27 HD2 HIS 27 -8.328 5.230 8.586
171 HE1 HIS 27 HE1 HIS 27 -11.003 1.960 8.982
172 H LEU 28 H LEU 28 -7.198 4.151 3.435
173 HA LEU 28 HA LEU 28 -4.475 3.861 3.120
174 HB2 LEU 28 1HB LEU 28 -5.847 2.881 1.499
175 HB3 LEU 28 2HB LEU 28 -6.681 4.397 1.163
176 HG LEU 28 HG LEU 28 -4.498 5.221 0.173
177 HD11 LEU 28 1HD1 LEU 28 -2.941 3.475 -0.585
178 HD12 LEU 28 2HD1 LEU 28 -3.838 2.285 0.356
179 HD13 LEU 28 3HD1 LEU 28 -3.001 3.605 1.173
180 HD21 LEU 28 3HD2 LEU 28 -5.198 4.575 -1.884
181 HD22 LEU 28 1HD2 LEU 28 -6.604 4.036 -0.966
182 HD23 LEU 28 2HD2 LEU 28 -5.353 2.879 -1.422
183 H ASN 29 H ASN 29 -6.473 6.688 2.327
184 HA ASN 29 HA ASN 29 -4.469 8.287 1.225
185 HB2 ASN 29 1HB ASN 29 -7.035 8.664 1.353
186 HB3 ASN 29 2HB ASN 29 -6.686 9.442 2.894
187 HD21 ASN 29 1HD2 ASN 29 -6.755 11.548 2.643
188 HD22 ASN 29 2HD2 ASN 29 -6.065 12.442 1.335
189 H GLN 30 H GLN 30 -5.702 8.299 4.572
190 HA GLN 30 HA GLN 30 -3.793 10.117 5.559
191 HB2 GLN 30 1HB GLN 30 -5.743 9.817 6.855
192 HB3 GLN 30 2HB GLN 30 -5.555 8.068 6.883
193 HG2 GLN 30 1HG GLN 30 -5.025 9.020 9.041
194 HG3 GLN 30 2HG GLN 30 -3.591 8.298 8.313
195 HE21 GLN 30 1HE2 GLN 30 -2.987 9.894 10.239
196 HE22 GLN 30 2HE2 GLN 30 -2.447 11.444 9.699
197 H HIS 31 H HIS 31 -3.424 6.951 4.524
198 HA HIS 31 HA HIS 31 -1.250 6.299 6.342
199 HB2 HIS 31 1HB HIS 31 -2.393 4.353 5.879
200 HB3 HIS 31 2HB HIS 31 -2.766 4.839 4.228
201 HD1 HIS 31 HD1 HIS 31 0.100 3.491 6.292
202 HD2 HIS 31 HD2 HIS 31 -1.056 3.869 2.320
203 HE1 HIS 31 HE1 HIS 31 1.783 2.167 4.974
204 H GLN 32 H GLN 32 -1.735 7.086 2.928
205 HA GLN 32 HA GLN 32 0.882 6.706 2.037
206 HB2 GLN 32 1HB GLN 32 -1.435 8.341 1.113
207 HB3 GLN 32 2HB GLN 32 0.141 8.658 0.400
208 HG2 GLN 32 1HG GLN 32 0.307 6.320 -0.282
209 HG3 GLN 32 2HG GLN 32 -1.272 6.001 0.434
210 HE21 GLN 32 1HE2 GLN 32 -2.488 5.537 -1.287
211 HE22 GLN 32 2HE2 GLN 32 -2.725 6.579 -2.644
212 H ARG 33 H ARG 33 -0.288 8.938 4.262
213 HA ARG 33 HA ARG 33 1.311 11.193 3.720
214 HB2 ARG 33 1HB ARG 33 0.439 10.298 6.465
215 HB3 ARG 33 2HB ARG 33 0.757 11.937 5.916
216 HG2 ARG 33 1HG ARG 33 -1.602 10.189 5.381
217 HG3 ARG 33 2HG ARG 33 -1.548 11.852 5.970
218 HD2 ARG 33 1HD ARG 33 -0.753 11.003 3.189
219 HD3 ARG 33 2HD ARG 33 -2.345 11.626 3.620
220 HE ARG 33 HE ARG 33 0.043 13.142 3.221
221 HH11 ARG 33 1HH1 ARG 33 -2.969 13.039 4.963
222 HH12 ARG 33 2HH1 ARG 33 -3.058 14.757 5.170
223 HH21 ARG 33 1HH2 ARG 33 -0.063 15.405 3.487
224 HH22 ARG 33 2HH2 ARG 33 -1.405 16.102 4.330
225 H ILE 34 H ILE 34 2.088 8.098 4.936
226 HA ILE 34 HA ILE 34 4.455 8.909 6.370
227 HB ILE 34 HB ILE 34 4.790 6.665 6.900
228 HG12 ILE 34 1HG1 ILE 34 3.184 6.024 4.425
229 HG13 ILE 34 2HG1 ILE 34 4.885 5.681 4.719
230 HG21 ILE 34 1HG2 ILE 34 2.164 7.720 7.057
231 HG22 ILE 34 2HG2 ILE 34 2.036 5.989 6.746
232 HG23 ILE 34 3HG2 ILE 34 2.952 6.569 8.137
233 HD11 ILE 34 3HD1 ILE 34 3.973 4.244 6.681
234 HD12 ILE 34 1HD1 ILE 34 2.464 4.300 5.770
235 HD13 ILE 34 2HD1 ILE 34 3.917 3.625 5.031
236 H HIS 35 H HIS 35 3.638 7.884 3.150
237 HA HIS 35 HA HIS 35 6.426 7.480 2.415
238 HB2 HIS 35 1HB HIS 35 3.992 7.381 0.626
239 HB3 HIS 35 2HB HIS 35 5.595 6.737 0.281
240 HD1 HIS 35 HD1 HIS 35 6.310 4.871 2.322
241 HD2 HIS 35 HD2 HIS 35 2.310 5.404 1.332
242 HE1 HIS 35 HE1 HIS 35 5.137 2.795 3.121
243 H THR 36 H THR 36 3.897 9.854 2.113
244 HA THR 36 HA THR 36 5.057 11.391 0.031
245 HB THR 36 HB THR 36 2.640 11.480 0.986
246 HG1 THR 36 HG1 THR 36 2.650 13.025 -0.449
247 HG21 THR 36 3HG2 THR 36 3.476 12.073 3.297
248 HG22 THR 36 1HG2 THR 36 2.202 13.111 2.659
249 HG23 THR 36 2HG2 THR 36 3.877 13.665 2.654
250 H GLY 37 H GLY 37 5.635 11.173 3.444
251 HA2 GLY 37 1HA GLY 37 6.758 13.664 3.984
252 HA3 GLY 37 2HA GLY 37 7.202 12.168 4.793
253 H GLU 38 H GLU 38 8.247 10.795 2.549
254 HA GLU 38 HA GLU 38 10.819 12.138 2.366
255 HB2 GLU 38 1HB GLU 38 9.896 9.377 1.564
256 HB3 GLU 38 2HB GLU 38 11.525 9.974 1.275
257 HG2 GLU 38 1HG GLU 38 11.841 10.277 3.678
258 HG3 GLU 38 2HG GLU 38 10.210 9.676 3.966
259 H LYS 39 H LYS 39 11.965 11.668 0.129
260 HA LYS 39 HA LYS 39 10.282 12.966 -1.881
261 HB2 LYS 39 1HB LYS 39 12.646 13.764 -1.144
262 HB3 LYS 39 2HB LYS 39 13.228 12.469 -2.182
263 HG2 LYS 39 1HG LYS 39 11.408 14.690 -3.087
264 HG3 LYS 39 2HG LYS 39 13.162 14.681 -3.286
265 HD2 LYS 39 1HD LYS 39 12.647 12.324 -4.389
266 HD3 LYS 39 2HD LYS 39 11.077 13.080 -4.673
267 HE2 LYS 39 1HE LYS 39 12.299 13.588 -6.594
268 HE3 LYS 39 2HE LYS 39 12.421 15.051 -5.618
269 HZ1 LYS 39 3HZ LYS 39 14.494 13.463 -6.619
270 HZ2 LYS 39 1HZ LYS 39 14.538 13.354 -4.931
271 HZ3 LYS 39 2HZ LYS 39 14.611 14.867 -5.684
272 HA PRO 40 HA PRO 40 9.961 8.830 -3.665
273 HB2 PRO 40 1HB PRO 40 7.930 9.480 -5.345
274 HB3 PRO 40 2HB PRO 40 7.680 9.108 -3.635
275 HG2 PRO 40 1HG PRO 40 7.856 11.773 -4.988
276 HG3 PRO 40 2HG PRO 40 6.729 11.228 -3.732
277 HD2 PRO 40 1HD PRO 40 8.894 12.758 -3.182
278 HD3 PRO 40 2HD PRO 40 8.258 11.556 -2.040
279 H SER 41 H SER 41 11.816 8.654 -4.866
280 HA SER 41 HA SER 41 11.753 9.897 -7.535
281 HB2 SER 41 1HB SER 41 13.517 10.723 -5.736
282 HB3 SER 41 2HB SER 41 14.379 9.274 -6.252
283 HG SER 41 HG SER 41 14.018 11.645 -7.554
284 H GLY 42 H GLY 42 10.857 8.022 -8.442
285 HA2 GLY 42 1HA GLY 42 12.720 5.730 -8.542
286 HA3 GLY 42 2HA GLY 42 10.976 5.520 -8.481
287 HA PRO 43 HA PRO 43 12.638 5.789 -12.921
288 HB2 PRO 43 1HB PRO 43 12.319 3.179 -13.595
289 HB3 PRO 43 2HB PRO 43 13.816 3.816 -12.906
290 HG2 PRO 43 1HG PRO 43 11.587 2.343 -11.556
291 HG3 PRO 43 2HG PRO 43 13.338 2.146 -11.360
292 HD2 PRO 43 1HD PRO 43 11.822 3.534 -9.597
293 HD3 PRO 43 2HD PRO 43 13.511 3.957 -9.945
294 H SER 44 H SER 44 9.876 5.013 -11.201
295 HA SER 44 HA SER 44 8.181 4.324 -13.425
296 HB2 SER 44 1HB SER 44 7.738 3.513 -11.115
297 HB3 SER 44 2HB SER 44 7.404 5.173 -10.624
298 HG SER 44 HG SER 44 5.907 3.453 -12.247
299 H SER 45 H SER 45 7.988 5.885 -14.929
300 HA SER 45 HA SER 45 7.851 8.668 -14.284
301 HB2 SER 45 1HB SER 45 8.673 7.505 -16.478
302 HB3 SER 45 2HB SER 45 6.969 7.557 -16.929
303 HG SER 45 HG SER 45 8.626 9.455 -17.302
304 H GLY 46 H GLY 46 5.970 9.946 -15.445
305 HA2 GLY 46 1HA GLY 46 3.567 9.837 -15.962
306 HA3 GLY 46 2HA GLY 46 3.421 8.681 -14.646