Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
573585 | 2m5x RC | 19085 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 1H GLU 1 -18.399 8.515 -5.606
2 H2 GLU 1 2H GLU 1 -18.511 6.910 -5.980
3 H3 GLU 1 3H GLU 1 -19.763 7.667 -5.220
4 HA GLU 1 HA GLU 1 -17.090 7.162 -4.078
5 HB2 GLU 1 1HB GLU 1 -18.108 9.324 -3.379
6 HB3 GLU 1 2HB GLU 1 -19.558 8.459 -2.859
7 HG2 GLU 1 1HG GLU 1 -18.217 7.248 -1.151
8 HG3 GLU 1 2HG GLU 1 -16.774 8.140 -1.660
9 H ALA 2 H ALA 2 -16.973 5.426 -2.651
10 HA ALA 2 HA ALA 2 -19.398 3.959 -1.881
11 HB1 ALA 2 3HB ALA 2 -17.121 2.627 -3.480
12 HB2 ALA 2 1HB ALA 2 -18.534 1.798 -2.768
13 HB3 ALA 2 2HB ALA 2 -18.756 2.930 -4.115
14 H ALA 3 H ALA 3 -17.228 1.776 -1.275
15 HA ALA 3 HA ALA 3 -15.980 2.893 1.108
16 HB1 ALA 3 3HB ALA 3 -16.354 0.425 0.808
17 HB2 ALA 3 1HB ALA 3 -15.249 0.443 -0.590
18 HB3 ALA 3 2HB ALA 3 -14.631 0.800 1.038
19 H VAL 4 H VAL 4 -13.440 3.096 1.106
20 HA VAL 4 HA VAL 4 -12.762 4.501 -1.414
21 HB VAL 4 HB VAL 4 -11.103 5.791 -0.085
22 HG11 VAL 4 1HG1 VAL 4 -13.417 6.639 -0.408
23 HG12 VAL 4 2HG1 VAL 4 -13.914 5.853 1.110
24 HG13 VAL 4 3HG1 VAL 4 -12.720 7.173 1.135
25 HG21 VAL 4 3HG2 VAL 4 -12.278 4.303 2.332
26 HG22 VAL 4 1HG2 VAL 4 -10.609 4.158 1.717
27 HG23 VAL 4 2HG2 VAL 4 -11.170 5.688 2.405
28 H CYS 5 H CYS 5 -11.541 2.125 0.798
29 HA CYS 5 HA CYS 5 -9.668 1.308 -1.355
30 HB2 CYS 5 1HB CYS 5 -9.263 1.022 1.630
31 HB3 CYS 5 2HB CYS 5 -8.295 0.194 0.406
32 H THR 6 H THR 6 -9.317 -0.989 -1.560
33 HA THR 6 HA THR 6 -11.764 -2.545 -1.087
34 HB THR 6 HB THR 6 -10.445 -4.286 -2.337
35 HG1 THR 6 1HG THR 6 -8.453 -3.452 -3.304
36 HG21 THR 6 1HG2 THR 6 -10.384 -1.588 -3.736
37 HG22 THR 6 2HG2 THR 6 -11.835 -2.606 -3.572
38 HG23 THR 6 3HG2 THR 6 -10.439 -3.190 -4.503
39 H THR 7 H THR 7 -11.268 -4.892 -0.256
40 HA THR 7 HA THR 7 -9.513 -4.700 2.143
41 HB THR 7 HB THR 7 -10.805 -6.773 2.846
42 HG1 THR 7 1HG THR 7 -12.541 -7.364 1.594
43 HG21 THR 7 1HG2 THR 7 -11.498 -4.480 3.584
44 HG22 THR 7 2HG2 THR 7 -12.864 -5.602 3.419
45 HG23 THR 7 3HG2 THR 7 -12.568 -4.379 2.164
46 H GLU 8 H GLU 8 -8.851 -5.192 -0.741
47 HA GLU 8 HA GLU 8 -8.082 -7.949 -1.050
48 HB2 GLU 8 1HB GLU 8 -8.508 -6.292 -2.902
49 HB3 GLU 8 2HB GLU 8 -7.013 -5.469 -2.443
50 HG2 GLU 8 1HG GLU 8 -5.776 -7.619 -2.919
51 HG3 GLU 8 2HG GLU 8 -7.289 -8.285 -3.547
52 H TRP 9 H TRP 9 -6.284 -9.007 -0.317
53 HA TRP 9 HA TRP 9 -4.097 -7.457 0.923
54 HB2 TRP 9 1HB TRP 9 -4.768 -9.596 1.949
55 HB3 TRP 9 2HB TRP 9 -4.425 -10.446 0.434
56 HD1 TRP 9 HD TRP 9 -2.035 -11.462 0.296
57 HE1 TRP 9 1HE TRP 9 0.194 -11.192 1.458
58 HE3 TRP 9 3HE TRP 9 -3.247 -7.419 3.183
59 HZ2 TRP 9 2HZ TRP 9 1.368 -9.384 3.313
60 HZ3 TRP 9 3HZ TRP 9 -1.464 -6.415 4.613
61 HH2 TRP 9 HH TRP 9 0.819 -7.393 4.678
62 H ASP 10 H ASP 10 -3.044 -6.326 -0.629
63 HA ASP 10 HA ASP 10 -1.613 -7.929 -2.695
64 HB2 ASP 10 1HB ASP 10 -3.627 -6.835 -3.747
65 HB3 ASP 10 2HB ASP 10 -2.969 -5.267 -3.280
66 HA PRO 11 HA PRO 11 0.502 -5.087 0.239
67 HB2 PRO 11 1HB PRO 11 2.854 -6.554 0.568
68 HB3 PRO 11 2HB PRO 11 1.375 -6.724 1.563
69 HG2 PRO 11 1HG PRO 11 2.220 -8.361 -0.813
70 HG3 PRO 11 2HG PRO 11 1.619 -8.894 0.766
71 HD2 PRO 11 1HD PRO 11 -0.006 -8.782 -1.340
72 HD3 PRO 11 2HD PRO 11 -0.576 -8.202 0.273
73 H VAL 12 H VAL 12 1.823 -3.494 -0.008
74 HA VAL 12 HA VAL 12 3.866 -3.522 -2.167
75 HB VAL 12 HB VAL 12 3.154 -1.220 -2.827
76 HG11 VAL 12 1HG1 VAL 12 2.459 -3.185 -4.181
77 HG12 VAL 12 2HG1 VAL 12 0.945 -3.262 -3.257
78 HG13 VAL 12 3HG1 VAL 12 1.294 -1.850 -4.274
79 HG21 VAL 12 3HG2 VAL 12 1.889 -0.655 -0.766
80 HG22 VAL 12 1HG2 VAL 12 0.966 -0.347 -2.240
81 HG23 VAL 12 2HG2 VAL 12 0.608 -1.788 -1.260
82 H CYS 13 H CYS 13 5.302 -1.541 -1.809
83 HA CYS 13 HA CYS 13 5.279 -0.710 1.060
84 HB2 CYS 13 1HB CYS 13 6.819 -2.582 0.823
85 HB3 CYS 13 2HB CYS 13 7.586 -1.787 -0.546
86 H GLY 14 H GLY 14 5.689 1.379 1.398
87 HA2 GLY 14 1HA GLY 14 5.849 3.094 -0.960
88 HA3 GLY 14 2HA GLY 14 5.696 3.603 0.727
89 H LYS 15 H LYS 15 7.233 5.157 -0.694
90 HA LYS 15 HA LYS 15 10.022 4.331 -0.790
91 HB2 LYS 15 1HB LYS 15 8.720 7.076 -0.867
92 HB3 LYS 15 2HB LYS 15 10.452 6.782 -1.083
93 HG2 LYS 15 1HG LYS 15 9.889 5.273 -2.996
94 HG3 LYS 15 2HG LYS 15 8.216 5.794 -2.865
95 HD2 LYS 15 1HD LYS 15 8.974 8.152 -3.202
96 HD3 LYS 15 2HD LYS 15 10.619 7.536 -3.464
97 HE2 LYS 15 1HE LYS 15 8.143 6.895 -5.127
98 HE3 LYS 15 2HE LYS 15 9.509 7.914 -5.618
99 HZ1 LYS 15 3HZ LYS 15 9.520 4.984 -5.177
100 HZ2 LYS 15 1HZ LYS 15 10.909 5.856 -5.362
101 HZ3 LYS 15 2HZ LYS 15 9.804 5.784 -6.588
102 H ASP 16 H ASP 16 7.967 5.191 1.761
103 HA ASP 16 HA ASP 16 10.184 6.116 3.489
104 HB2 ASP 16 1HB ASP 16 8.465 6.645 5.089
105 HB3 ASP 16 2HB ASP 16 7.972 7.281 3.513
106 H GLY 17 H GLY 17 9.337 3.227 2.361
107 HA2 GLY 17 1HA GLY 17 10.053 1.168 3.119
108 HA3 GLY 17 2HA GLY 17 10.443 1.880 4.682
109 H LYS 18 H LYS 18 7.254 2.746 4.220
110 HA LYS 18 HA LYS 18 6.491 0.609 6.081
111 HB2 LYS 18 1HB LYS 18 4.918 2.921 4.916
112 HB3 LYS 18 2HB LYS 18 4.310 1.803 6.145
113 HG2 LYS 18 1HG LYS 18 6.164 2.491 7.646
114 HG3 LYS 18 2HG LYS 18 6.690 3.652 6.414
115 HD2 LYS 18 1HD LYS 18 4.433 4.727 6.534
116 HD3 LYS 18 2HD LYS 18 4.017 3.626 7.861
117 HE2 LYS 18 1HE LYS 18 4.750 5.781 8.757
118 HE3 LYS 18 2HE LYS 18 5.932 4.521 9.179
119 HZ1 LYS 18 3HZ LYS 18 6.234 6.273 6.808
120 HZ2 LYS 18 1HZ LYS 18 7.375 5.292 7.480
121 HZ3 LYS 18 2HZ LYS 18 6.888 6.649 8.284
122 H THR 19 H THR 19 5.222 -1.070 5.785
123 HA THR 19 HA THR 19 4.531 -1.877 3.049
124 HB THR 19 HB THR 19 4.018 -3.224 5.753
125 HG1 THR 19 1HG THR 19 6.001 -3.902 5.573
126 HG21 THR 19 1HG2 THR 19 2.478 -4.093 4.086
127 HG22 THR 19 2HG2 THR 19 3.765 -5.280 4.362
128 HG23 THR 19 3HG2 THR 19 3.797 -4.262 2.901
129 H TYR 20 H TYR 20 2.574 -1.603 2.147
130 HA TYR 20 HA TYR 20 0.281 -0.909 3.950
131 HB2 TYR 20 1HB TYR 20 0.928 -0.010 1.135
132 HB3 TYR 20 2HB TYR 20 -0.653 0.214 1.891
133 HD1 TYR 20 1HD TYR 20 -0.962 1.763 3.764
134 HD2 TYR 20 2HD TYR 20 2.896 1.273 1.934
135 HE1 TYR 20 1HE TYR 20 -0.142 3.809 4.930
136 HE2 TYR 20 2HE TYR 20 3.705 3.331 3.087
137 HH TYR 20 HH TYR 20 1.607 5.246 5.243
138 H SER 21 H SER 21 -1.577 -2.083 3.719
139 HA SER 21 HA SER 21 -1.261 -4.731 2.878
140 HB2 SER 21 1HB SER 21 -4.004 -3.524 2.975
141 HB3 SER 21 2HB SER 21 -3.405 -5.050 3.663
142 HG SER 21 HG SER 21 -2.551 -3.963 5.344
143 H ASN 22 H ASN 22 -3.274 -2.228 1.230
144 HA ASN 22 HA ASN 22 -2.631 -3.664 -1.290
145 HB2 ASN 22 1HB ASN 22 -4.716 -2.574 -2.262
146 HB3 ASN 22 2HB ASN 22 -4.922 -3.956 -1.201
147 HD21 ASN 22 2HD2 ASN 22 -6.551 -3.781 0.071
148 HD22 ASN 22 1HD2 ASN 22 -7.117 -2.296 0.807
149 H LEU 23 H LEU 23 -2.785 -2.101 -3.204
150 HA LEU 23 HA LEU 23 -0.955 0.057 -2.851
151 HB2 LEU 23 1HB LEU 23 -1.379 -1.227 -4.953
152 HB3 LEU 23 2HB LEU 23 -2.947 -0.439 -5.082
153 HG LEU 23 HG LEU 23 -1.808 1.758 -5.331
154 HD11 LEU 23 1HD1 LEU 23 0.316 1.278 -4.176
155 HD12 LEU 23 2HD1 LEU 23 0.609 1.816 -5.838
156 HD13 LEU 23 3HD1 LEU 23 0.742 0.090 -5.431
157 HD21 LEU 23 3HD2 LEU 23 -2.505 0.440 -7.285
158 HD22 LEU 23 1HD2 LEU 23 -0.934 -0.399 -7.293
159 HD23 LEU 23 2HD2 LEU 23 -1.020 1.348 -7.625
160 H CYS 24 H CYS 24 -4.484 -0.081 -2.585
161 HA CYS 24 HA CYS 24 -4.961 2.714 -2.963
162 HB2 CYS 24 1HB CYS 24 -6.777 1.070 -2.958
163 HB3 CYS 24 2HB CYS 24 -6.478 0.717 -1.257
164 H TRP 25 H TRP 25 -4.359 0.801 0.054
165 HA TRP 25 HA TRP 25 -4.525 3.096 1.742
166 HB2 TRP 25 1HB TRP 25 -3.024 0.483 2.110
167 HB3 TRP 25 2HB TRP 25 -3.183 1.729 3.358
168 HD1 TRP 25 HD TRP 25 -4.816 -1.367 2.411
169 HE1 TRP 25 1HE TRP 25 -7.179 -1.594 3.317
170 HE3 TRP 25 3HE TRP 25 -5.534 3.527 3.718
171 HZ2 TRP 25 2HZ TRP 25 -9.152 0.122 4.451
172 HZ3 TRP 25 3HZ TRP 25 -7.730 4.186 4.722
173 HH2 TRP 25 HH TRP 25 -9.518 2.484 5.079
174 H LEU 26 H LEU 26 -1.850 1.843 -0.205
175 HA LEU 26 HA LEU 26 0.196 3.526 0.924
176 HB2 LEU 26 1HB LEU 26 0.639 1.577 -0.486
177 HB3 LEU 26 2HB LEU 26 -0.178 2.310 -1.831
178 HG LEU 26 HG LEU 26 2.336 2.118 -1.903
179 HD11 LEU 26 1HD1 LEU 26 2.578 4.125 -3.212
180 HD12 LEU 26 2HD1 LEU 26 1.178 4.870 -2.429
181 HD13 LEU 26 3HD1 LEU 26 0.958 3.455 -3.483
182 HD21 LEU 26 3HD2 LEU 26 2.178 4.559 -0.134
183 HD22 LEU 26 1HD2 LEU 26 3.619 3.947 -0.962
184 HD23 LEU 26 2HD2 LEU 26 2.850 2.973 0.305
185 H ASN 27 H ASN 27 -2.105 3.925 -1.796
186 HA ASN 27 HA ASN 27 -1.174 6.525 -2.554
187 HB2 ASN 27 1HB ASN 27 -2.534 5.053 -4.013
188 HB3 ASN 27 2HB ASN 27 -3.909 5.238 -2.913
189 HD21 ASN 27 2HD2 ASN 27 -1.573 7.642 -4.162
190 HD22 ASN 27 1HD2 ASN 27 -2.794 8.655 -4.890
191 H GLU 28 H GLU 28 -3.783 5.474 -0.324
192 HA GLU 28 HA GLU 28 -4.784 8.113 0.194
193 HB2 GLU 28 1HB GLU 28 -4.797 5.588 1.889
194 HB3 GLU 28 2HB GLU 28 -5.667 7.066 2.312
195 HG2 GLU 28 1HG GLU 28 -6.144 5.392 -0.174
196 HG3 GLU 28 2HG GLU 28 -7.155 5.411 1.272
197 H ALA 29 H ALA 29 -2.051 6.291 1.531
198 HA ALA 29 HA ALA 29 -1.614 8.165 3.713
199 HB1 ALA 29 3HB ALA 29 0.154 6.031 2.464
200 HB2 ALA 29 1HB ALA 29 0.531 6.935 3.951
201 HB3 ALA 29 2HB ALA 29 -0.883 5.855 3.897
202 H GLY 30 H GLY 30 -0.965 8.190 0.328
203 HA2 GLY 30 1HA GLY 30 -0.177 9.984 -0.891
204 HA3 GLY 30 2HA GLY 30 0.259 10.807 0.608
205 H VAL 31 H VAL 31 1.639 7.696 0.527
206 HA VAL 31 HA VAL 31 4.261 8.902 0.032
207 HB VAL 31 HB VAL 31 4.046 5.942 0.336
208 HG11 VAL 31 1HG1 VAL 31 5.738 8.035 1.749
209 HG12 VAL 31 2HG1 VAL 31 5.975 6.276 1.774
210 HG13 VAL 31 3HG1 VAL 31 6.200 7.169 0.261
211 HG21 VAL 31 3HG2 VAL 31 3.238 7.818 2.588
212 HG22 VAL 31 1HG2 VAL 31 2.324 6.441 1.912
213 HG23 VAL 31 2HG2 VAL 31 3.800 6.149 2.845
214 H GLY 32 H GLY 32 5.553 8.392 -1.675
215 HA2 GLY 32 1HA GLY 32 4.296 7.415 -4.093
216 HA3 GLY 32 2HA GLY 32 6.030 7.755 -3.873
217 H LEU 33 H LEU 33 4.715 5.416 -5.150
218 HA LEU 33 HA LEU 33 5.069 3.139 -3.376
219 HB2 LEU 33 1HB LEU 33 3.577 3.151 -5.364
220 HB3 LEU 33 2HB LEU 33 4.977 3.376 -6.403
221 HG LEU 33 HG LEU 33 5.811 1.132 -5.745
222 HD11 LEU 33 1HD1 LEU 33 4.240 -0.415 -4.629
223 HD12 LEU 33 2HD1 LEU 33 3.140 0.946 -4.310
224 HD13 LEU 33 3HD1 LEU 33 4.750 0.899 -3.559
225 HD21 LEU 33 3HD2 LEU 33 4.144 -0.126 -7.046
226 HD22 LEU 33 1HD2 LEU 33 4.475 1.454 -7.783
227 HD23 LEU 33 2HD2 LEU 33 2.978 1.204 -6.854
228 H ASP 34 H ASP 34 6.864 1.731 -3.260
229 HA ASP 34 HA ASP 34 9.200 2.501 -4.955
230 HB2 ASP 34 1HB ASP 34 9.192 3.055 -2.338
231 HB3 ASP 34 2HB ASP 34 9.748 1.387 -2.240
232 H HIS 35 H HIS 35 8.042 -0.097 -2.731
233 HA HIS 35 HA HIS 35 9.134 -2.032 -4.742
234 HB2 HIS 35 1HB HIS 35 8.672 -2.680 -1.835
235 HB3 HIS 35 2HB HIS 35 9.580 -3.599 -3.023
236 HD1 HIS 35 1HD HIS 35 11.883 -2.297 -3.913
237 HD2 HIS 35 2HD HIS 35 10.203 -0.989 -0.317
238 HE1 HIS 35 1HE HIS 35 13.698 -1.009 -2.686
239 H GLU 36 H GLU 36 7.973 -4.046 -4.976
240 HA GLU 36 HA GLU 36 5.059 -3.871 -4.307
241 HB2 GLU 36 1HB GLU 36 6.645 -5.688 -6.179
242 HB3 GLU 36 2HB GLU 36 4.923 -5.879 -5.824
243 HG2 GLU 36 1HG GLU 36 4.429 -3.728 -6.848
244 HG3 GLU 36 2HG GLU 36 6.150 -3.421 -7.114
245 H GLY 37 H GLY 37 4.283 -5.657 -2.969
246 HA2 GLY 37 1HA GLY 37 4.586 -7.526 -1.582
247 HA3 GLY 37 2HA GLY 37 6.327 -7.513 -1.922
248 H GLU 38 H GLU 38 5.905 -7.896 0.586
249 HA GLU 38 HA GLU 38 5.442 -5.476 2.128
250 HB2 GLU 38 1HB GLU 38 6.551 -8.186 2.947
251 HB3 GLU 38 2HB GLU 38 6.007 -6.915 4.048
252 HG2 GLU 38 1HG GLU 38 3.714 -7.113 3.083
253 HG3 GLU 38 2HG GLU 38 4.276 -8.450 2.075
254 H CYS 39 H CYS 39 6.981 -4.615 3.680
255 HA CYS 39 HA CYS 39 9.850 -4.850 2.832
256 HB2 CYS 39 1HB CYS 39 8.150 -2.525 3.711
257 HB3 CYS 39 2HB CYS 39 9.843 -2.563 4.205
258 H LEU 40 H LEU 40 11.320 -4.351 4.692
259 HA LEU 40 HA LEU 40 10.317 -4.824 7.391
260 HB2 LEU 40 1HB LEU 40 11.594 -6.723 7.878
261 HB3 LEU 40 2HB LEU 40 10.790 -7.147 6.378
262 HG LEU 40 HG LEU 40 13.697 -6.273 6.609
263 HD11 LEU 40 1HD1 LEU 40 14.204 -8.661 6.327
264 HD12 LEU 40 2HD1 LEU 40 12.465 -9.040 6.338
265 HD13 LEU 40 3HD1 LEU 40 13.248 -8.374 7.791
266 HD21 LEU 40 3HD2 LEU 40 13.902 -7.329 4.341
267 HD22 LEU 40 1HD2 LEU 40 12.906 -5.864 4.358
268 HD23 LEU 40 2HD2 LEU 40 12.126 -7.464 4.287
Start of MODEL 2
1 H1 GLU 1 1H GLU 1 -5.052 4.758 -6.813
2 H2 GLU 1 2H GLU 1 -5.288 3.232 -6.236
3 H3 GLU 1 3H GLU 1 -5.466 3.532 -7.846
4 HA GLU 1 HA GLU 1 -7.153 4.751 -5.759
5 HB2 GLU 1 1HB GLU 1 -7.314 4.610 -8.787
6 HB3 GLU 1 2HB GLU 1 -8.668 5.117 -7.771
7 HG2 GLU 1 1HG GLU 1 -7.345 6.999 -6.901
8 HG3 GLU 1 2HG GLU 1 -5.965 6.499 -7.891
9 H ALA 2 H ALA 2 -9.514 3.913 -6.056
10 HA ALA 2 HA ALA 2 -9.814 1.114 -6.824
11 HB1 ALA 2 3HB ALA 2 -10.246 0.293 -4.566
12 HB2 ALA 2 1HB ALA 2 -8.623 1.009 -4.576
13 HB3 ALA 2 2HB ALA 2 -9.978 1.917 -3.877
14 H ALA 3 H ALA 3 -12.180 0.838 -5.129
15 HA ALA 3 HA ALA 3 -14.072 2.742 -6.201
16 HB1 ALA 3 3HB ALA 3 -15.546 1.891 -4.311
17 HB2 ALA 3 1HB ALA 3 -14.903 0.600 -5.348
18 HB3 ALA 3 2HB ALA 3 -14.175 0.898 -3.753
19 H VAL 4 H VAL 4 -12.987 2.265 -2.861
20 HA VAL 4 HA VAL 4 -11.803 4.943 -2.931
21 HB VAL 4 HB VAL 4 -12.549 5.090 -0.345
22 HG11 VAL 4 1HG1 VAL 4 -12.856 6.866 -2.025
23 HG12 VAL 4 2HG1 VAL 4 -14.300 6.039 -2.651
24 HG13 VAL 4 3HG1 VAL 4 -14.295 6.699 -0.998
25 HG21 VAL 4 3HG2 VAL 4 -14.905 4.461 -0.018
26 HG22 VAL 4 1HG2 VAL 4 -15.006 3.810 -1.666
27 HG23 VAL 4 2HG2 VAL 4 -13.973 3.019 -0.446
28 H CYS 5 H CYS 5 -12.398 2.014 -1.187
29 HA CYS 5 HA CYS 5 -9.486 1.699 -0.787
30 HB2 CYS 5 1HB CYS 5 -11.105 1.773 1.275
31 HB3 CYS 5 2HB CYS 5 -11.464 0.105 0.813
32 H THR 6 H THR 6 -8.652 -0.540 -1.080
33 HA THR 6 HA THR 6 -10.267 -2.182 -2.976
34 HB THR 6 HB THR 6 -8.096 -3.537 -2.932
35 HG1 THR 6 1HG THR 6 -7.314 -2.796 -0.955
36 HG21 THR 6 1HG2 THR 6 -6.803 -2.139 -4.365
37 HG22 THR 6 2HG2 THR 6 -7.536 -0.672 -3.690
38 HG23 THR 6 3HG2 THR 6 -8.510 -1.777 -4.695
39 H THR 7 H THR 7 -10.680 -4.436 -2.203
40 HA THR 7 HA THR 7 -10.329 -4.720 0.722
41 HB THR 7 HB THR 7 -11.990 -6.605 0.539
42 HG1 THR 7 1HG THR 7 -12.994 -6.886 -1.444
43 HG21 THR 7 1HG2 THR 7 -13.022 -4.012 -0.689
44 HG22 THR 7 2HG2 THR 7 -12.759 -4.266 1.055
45 HG23 THR 7 3HG2 THR 7 -13.967 -5.235 0.186
46 H GLU 8 H GLU 8 -8.894 -5.245 -1.873
47 HA GLU 8 HA GLU 8 -8.035 -8.000 -1.695
48 HB2 GLU 8 1HB GLU 8 -7.095 -5.658 -3.367
49 HB3 GLU 8 2HB GLU 8 -6.352 -7.261 -3.429
50 HG2 GLU 8 1HG GLU 8 -7.826 -7.641 -5.060
51 HG3 GLU 8 2HG GLU 8 -8.945 -7.969 -3.740
52 H TRP 9 H TRP 9 -6.448 -8.868 -0.635
53 HA TRP 9 HA TRP 9 -4.579 -7.342 1.018
54 HB2 TRP 9 1HB TRP 9 -5.075 -9.607 1.711
55 HB3 TRP 9 2HB TRP 9 -4.756 -10.237 0.091
56 HD1 TRP 9 HD TRP 9 -2.351 -11.158 -0.335
57 HE1 TRP 9 1HE TRP 9 -0.148 -11.253 0.900
58 HE3 TRP 9 3HE TRP 9 -3.530 -7.899 3.427
59 HZ2 TRP 9 2HZ TRP 9 0.994 -10.067 3.222
60 HZ3 TRP 9 3HZ TRP 9 -1.772 -7.379 5.123
61 HH2 TRP 9 HH TRP 9 0.461 -8.470 5.029
62 H ASP 10 H ASP 10 -3.268 -6.002 -0.078
63 HA ASP 10 HA ASP 10 -1.761 -7.137 -2.389
64 HB2 ASP 10 1HB ASP 10 -3.743 -5.767 -3.183
65 HB3 ASP 10 2HB ASP 10 -3.074 -4.372 -2.349
66 HA PRO 11 HA PRO 11 0.591 -4.836 0.788
67 HB2 PRO 11 1HB PRO 11 2.825 -6.464 0.885
68 HB3 PRO 11 2HB PRO 11 1.406 -6.632 1.953
69 HG2 PRO 11 1HG PRO 11 2.106 -8.158 -0.500
70 HG3 PRO 11 2HG PRO 11 1.430 -8.723 1.033
71 HD2 PRO 11 1HD PRO 11 -0.114 -8.339 -1.163
72 HD3 PRO 11 2HD PRO 11 -0.719 -8.005 0.509
73 H VAL 12 H VAL 12 1.936 -3.289 0.417
74 HA VAL 12 HA VAL 12 3.801 -3.387 -1.886
75 HB VAL 12 HB VAL 12 2.990 -1.035 -2.488
76 HG11 VAL 12 1HG1 VAL 12 1.229 -1.798 -3.987
77 HG12 VAL 12 2HG1 VAL 12 2.487 -3.042 -3.887
78 HG13 VAL 12 3HG1 VAL 12 0.963 -3.250 -2.997
79 HG21 VAL 12 3HG2 VAL 12 0.473 -1.886 -0.990
80 HG22 VAL 12 1HG2 VAL 12 1.637 -0.667 -0.417
81 HG23 VAL 12 2HG2 VAL 12 0.718 -0.385 -1.906
82 H CYS 13 H CYS 13 5.333 -1.557 -1.692
83 HA CYS 13 HA CYS 13 5.533 -0.598 1.132
84 HB2 CYS 13 1HB CYS 13 6.924 -2.602 0.752
85 HB3 CYS 13 2HB CYS 13 7.698 -1.790 -0.600
86 H GLY 14 H GLY 14 5.849 1.510 1.283
87 HA2 GLY 14 1HA GLY 14 5.965 3.041 -1.203
88 HA3 GLY 14 2HA GLY 14 5.799 3.681 0.435
89 H LYS 15 H LYS 15 7.304 5.170 -1.061
90 HA LYS 15 HA LYS 15 10.103 4.467 -1.192
91 HB2 LYS 15 1HB LYS 15 8.675 7.153 -1.119
92 HB3 LYS 15 2HB LYS 15 10.416 6.964 -1.377
93 HG2 LYS 15 1HG LYS 15 9.908 5.538 -3.369
94 HG3 LYS 15 2HG LYS 15 8.204 5.912 -3.166
95 HD2 LYS 15 1HD LYS 15 8.694 8.311 -3.447
96 HD3 LYS 15 2HD LYS 15 10.417 7.921 -3.657
97 HE2 LYS 15 1HE LYS 15 9.828 6.491 -5.615
98 HE3 LYS 15 2HE LYS 15 8.127 6.962 -5.431
99 HZ1 LYS 15 3HZ LYS 15 8.794 9.263 -5.834
100 HZ2 LYS 15 1HZ LYS 15 9.249 8.306 -7.099
101 HZ3 LYS 15 2HZ LYS 15 10.373 8.818 -6.005
102 H ASP 16 H ASP 16 8.074 5.434 1.409
103 HA ASP 16 HA ASP 16 10.241 6.360 3.150
104 HB2 ASP 16 1HB ASP 16 7.824 7.163 3.188
105 HB3 ASP 16 2HB ASP 16 7.382 5.577 3.839
106 H GLY 17 H GLY 17 9.567 3.387 1.925
107 HA2 GLY 17 1HA GLY 17 10.390 1.328 2.556
108 HA3 GLY 17 2HA GLY 17 10.977 2.038 4.063
109 H LYS 18 H LYS 18 7.826 2.906 4.024
110 HA LYS 18 HA LYS 18 7.210 0.833 5.976
111 HB2 LYS 18 1HB LYS 18 5.400 3.044 4.949
112 HB3 LYS 18 2HB LYS 18 5.212 2.119 6.440
113 HG2 LYS 18 1HG LYS 18 7.405 4.132 5.807
114 HG3 LYS 18 2HG LYS 18 6.047 4.373 6.908
115 HD2 LYS 18 1HD LYS 18 6.939 2.511 8.341
116 HD3 LYS 18 2HD LYS 18 8.349 2.405 7.270
117 HE2 LYS 18 1HE LYS 18 7.518 4.851 8.889
118 HE3 LYS 18 2HE LYS 18 8.841 3.740 9.285
119 HZ1 LYS 18 3HZ LYS 18 8.693 5.675 7.058
120 HZ2 LYS 18 1HZ LYS 18 9.765 4.424 7.013
121 HZ3 LYS 18 2HZ LYS 18 9.850 5.545 8.223
122 H THR 19 H THR 19 5.929 -0.870 5.780
123 HA THR 19 HA THR 19 4.893 -1.581 3.126
124 HB THR 19 HB THR 19 4.750 -3.089 5.784
125 HG1 THR 19 1HG THR 19 6.653 -3.995 5.205
126 HG21 THR 19 1HG2 THR 19 4.369 -3.962 2.886
127 HG22 THR 19 2HG2 THR 19 3.149 -3.983 4.183
128 HG23 THR 19 3HG2 THR 19 4.540 -5.080 4.262
129 H TYR 20 H TYR 20 2.801 -1.465 2.532
130 HA TYR 20 HA TYR 20 0.774 -0.880 4.670
131 HB2 TYR 20 1HB TYR 20 0.911 -0.025 1.753
132 HB3 TYR 20 2HB TYR 20 -0.513 0.176 2.780
133 HD1 TYR 20 2HD TYR 20 2.981 1.296 2.201
134 HD2 TYR 20 1HD TYR 20 -0.561 1.853 4.579
135 HE1 TYR 20 2HE TYR 20 3.931 3.398 3.140
136 HE2 TYR 20 1HE TYR 20 0.400 3.951 5.511
137 HH TYR 20 HH TYR 20 2.195 5.363 5.558
138 H SER 21 H SER 21 -0.968 -2.301 4.717
139 HA SER 21 HA SER 21 -0.434 -4.874 3.621
140 HB2 SER 21 1HB SER 21 -2.631 -5.499 4.549
141 HB3 SER 21 2HB SER 21 -1.669 -4.569 5.715
142 HG SER 21 HG SER 21 -4.078 -4.064 5.051
143 H ASN 22 H ASN 22 -2.912 -2.445 2.722
144 HA ASN 22 HA ASN 22 -3.175 -3.931 0.153
145 HB2 ASN 22 1HB ASN 22 -5.144 -1.874 1.113
146 HB3 ASN 22 2HB ASN 22 -5.304 -3.013 -0.224
147 HD21 ASN 22 2HD2 ASN 22 -7.329 -2.838 1.604
148 HD22 ASN 22 1HD2 ASN 22 -7.368 -4.292 2.570
149 H LEU 23 H LEU 23 -3.459 -2.537 -1.730
150 HA LEU 23 HA LEU 23 -1.537 -0.376 -1.873
151 HB2 LEU 23 1HB LEU 23 -2.140 -1.803 -3.794
152 HB3 LEU 23 2HB LEU 23 -3.789 -1.197 -3.743
153 HG LEU 23 HG LEU 23 -2.979 1.056 -4.380
154 HD11 LEU 23 1HD1 LEU 23 -0.275 -0.316 -4.679
155 HD12 LEU 23 2HD1 LEU 23 -0.678 0.969 -3.516
156 HD13 LEU 23 3HD1 LEU 23 -0.675 1.318 -5.252
157 HD21 LEU 23 3HD2 LEU 23 -2.129 -1.224 -6.210
158 HD22 LEU 23 1HD2 LEU 23 -2.435 0.455 -6.719
159 HD23 LEU 23 2HD2 LEU 23 -3.763 -0.531 -6.073
160 H CYS 24 H CYS 24 -4.893 -0.674 -1.075
161 HA CYS 24 HA CYS 24 -5.862 1.948 -1.462
162 HB2 CYS 24 1HB CYS 24 -7.344 0.237 -0.804
163 HB3 CYS 24 2HB CYS 24 -6.360 -0.231 0.567
164 H TRP 25 H TRP 25 -4.195 0.558 1.425
165 HA TRP 25 HA TRP 25 -4.330 3.059 2.809
166 HB2 TRP 25 1HB TRP 25 -2.468 0.734 3.338
167 HB3 TRP 25 2HB TRP 25 -2.939 2.005 4.476
168 HD1 TRP 25 HD TRP 25 -3.647 -1.436 4.026
169 HE1 TRP 25 1HE TRP 25 -5.959 -2.184 4.761
170 HE3 TRP 25 3HE TRP 25 -5.844 3.184 4.256
171 HZ2 TRP 25 2HZ TRP 25 -8.459 -0.956 5.358
172 HZ3 TRP 25 3HZ TRP 25 -8.250 3.330 4.921
173 HH2 TRP 25 HH TRP 25 -9.536 1.265 5.469
174 H LEU 26 H LEU 26 -1.936 1.617 0.639
175 HA LEU 26 HA LEU 26 0.160 3.509 1.182
176 HB2 LEU 26 1HB LEU 26 0.415 1.383 -0.052
177 HB3 LEU 26 2HB LEU 26 -0.558 2.004 -1.359
178 HG LEU 26 HG LEU 26 1.911 1.816 -1.747
179 HD11 LEU 26 1HD1 LEU 26 2.083 3.763 -3.120
180 HD12 LEU 26 2HD1 LEU 26 0.850 4.619 -2.180
181 HD13 LEU 26 3HD1 LEU 26 0.399 3.207 -3.166
182 HD21 LEU 26 3HD2 LEU 26 2.054 4.285 -0.017
183 HD22 LEU 26 1HD2 LEU 26 3.372 3.577 -0.972
184 HD23 LEU 26 2HD2 LEU 26 2.687 2.673 0.392
185 H ASN 27 H ASN 27 -2.577 3.454 -1.121
186 HA ASN 27 HA ASN 27 -1.954 5.873 -2.474
187 HB2 ASN 27 1HB ASN 27 -3.695 4.034 -3.038
188 HB3 ASN 27 2HB ASN 27 -4.778 4.874 -1.921
189 HD21 ASN 27 2HD2 ASN 27 -4.482 7.501 -2.444
190 HD22 ASN 27 1HD2 ASN 27 -4.853 7.839 -4.114
191 H GLU 28 H GLU 28 -4.017 5.272 0.424
192 HA GLU 28 HA GLU 28 -4.742 8.074 0.566
193 HB2 GLU 28 1HB GLU 28 -5.027 5.895 2.664
194 HB3 GLU 28 2HB GLU 28 -5.787 7.493 2.704
195 HG2 GLU 28 1HG GLU 28 -6.343 5.219 0.784
196 HG3 GLU 28 2HG GLU 28 -7.460 5.969 1.924
197 H ALA 29 H ALA 29 -2.052 6.228 1.841
198 HA ALA 29 HA ALA 29 -1.357 8.235 3.841
199 HB1 ALA 29 3HB ALA 29 -0.665 5.922 4.141
200 HB2 ALA 29 1HB ALA 29 0.216 5.946 2.597
201 HB3 ALA 29 2HB ALA 29 0.775 6.952 3.958
202 H GLY 30 H GLY 30 -1.012 7.928 0.408
203 HA2 GLY 30 1HA GLY 30 -0.266 9.532 -1.066
204 HA3 GLY 30 2HA GLY 30 0.217 10.541 0.299
205 H VAL 31 H VAL 31 1.679 7.511 0.619
206 HA VAL 31 HA VAL 31 4.261 8.636 -0.011
207 HB VAL 31 HB VAL 31 3.971 5.668 0.286
208 HG11 VAL 31 1HG1 VAL 31 5.804 7.720 1.587
209 HG12 VAL 31 2HG1 VAL 31 5.959 5.953 1.698
210 HG13 VAL 31 3HG1 VAL 31 6.177 6.763 0.131
211 HG21 VAL 31 3HG2 VAL 31 3.294 7.603 2.519
212 HG22 VAL 31 1HG2 VAL 31 2.344 6.220 1.910
213 HG23 VAL 31 2HG2 VAL 31 3.841 5.936 2.804
214 H GLY 32 H GLY 32 5.425 8.324 -1.810
215 HA2 GLY 32 1HA GLY 32 4.146 7.346 -4.193
216 HA3 GLY 32 2HA GLY 32 5.882 7.715 -4.020
217 H LEU 33 H LEU 33 4.367 5.334 -5.203
218 HA LEU 33 HA LEU 33 4.909 3.075 -3.484
219 HB2 LEU 33 1HB LEU 33 3.275 3.083 -5.371
220 HB3 LEU 33 2HB LEU 33 4.607 3.284 -6.504
221 HG LEU 33 HG LEU 33 5.478 1.045 -5.845
222 HD11 LEU 33 1HD1 LEU 33 4.552 0.851 -3.596
223 HD12 LEU 33 2HD1 LEU 33 3.953 -0.472 -4.606
224 HD13 LEU 33 3HD1 LEU 33 2.895 0.911 -4.244
225 HD21 LEU 33 3HD2 LEU 33 4.022 1.331 -7.808
226 HD22 LEU 33 1HD2 LEU 33 2.583 1.102 -6.785
227 HD23 LEU 33 2HD2 LEU 33 3.734 -0.233 -7.020
228 H ASP 34 H ASP 34 6.753 1.749 -3.421
229 HA ASP 34 HA ASP 34 8.955 2.521 -5.304
230 HB2 ASP 34 1HB ASP 34 9.367 3.298 -2.939
231 HB3 ASP 34 2HB ASP 34 9.345 1.610 -2.424
232 H HIS 35 H HIS 35 7.940 -0.042 -2.958
233 HA HIS 35 HA HIS 35 8.835 -2.019 -5.014
234 HB2 HIS 35 1HB HIS 35 8.536 -2.682 -2.108
235 HB3 HIS 35 2HB HIS 35 9.478 -3.511 -3.338
236 HD1 HIS 35 1HD HIS 35 11.699 -2.073 -4.210
237 HD2 HIS 35 2HD HIS 35 9.944 -0.872 -0.620
238 HE1 HIS 35 1HE HIS 35 13.391 -0.582 -3.030
239 H GLU 36 H GLU 36 7.493 -3.896 -5.302
240 HA GLU 36 HA GLU 36 4.715 -3.598 -4.221
241 HB2 GLU 36 1HB GLU 36 5.796 -5.252 -6.547
242 HB3 GLU 36 2HB GLU 36 4.140 -5.337 -5.924
243 HG2 GLU 36 1HG GLU 36 3.878 -2.901 -6.460
244 HG3 GLU 36 2HG GLU 36 5.469 -2.946 -7.239
245 H GLY 37 H GLY 37 4.007 -5.423 -2.960
246 HA2 GLY 37 1HA GLY 37 4.388 -7.424 -1.773
247 HA3 GLY 37 2HA GLY 37 6.077 -7.447 -2.326
248 H GLU 38 H GLU 38 5.684 -7.916 0.247
249 HA GLU 38 HA GLU 38 5.529 -5.583 1.917
250 HB2 GLU 38 1HB GLU 38 6.800 -8.224 2.673
251 HB3 GLU 38 2HB GLU 38 5.991 -7.071 3.727
252 HG2 GLU 38 1HG GLU 38 4.325 -8.660 3.541
253 HG3 GLU 38 2HG GLU 38 3.904 -7.644 2.191
254 H CYS 39 H CYS 39 7.079 -4.609 3.221
255 HA CYS 39 HA CYS 39 9.968 -5.223 2.653
256 HB2 CYS 39 1HB CYS 39 8.609 -2.685 3.673
257 HB3 CYS 39 2HB CYS 39 10.328 -3.004 3.882
258 H LEU 40 H LEU 40 11.205 -5.122 4.788
259 HA LEU 40 HA LEU 40 9.612 -5.505 7.229
260 HB2 LEU 40 1HB LEU 40 9.783 -7.797 6.217
261 HB3 LEU 40 2HB LEU 40 11.532 -7.596 6.115
262 HG LEU 40 HG LEU 40 11.676 -7.524 8.580
263 HD11 LEU 40 1HD1 LEU 40 8.676 -8.038 8.448
264 HD12 LEU 40 2HD1 LEU 40 9.499 -6.636 9.175
265 HD13 LEU 40 3HD1 LEU 40 9.676 -8.239 9.907
266 HD21 LEU 40 3HD2 LEU 40 11.923 -9.638 7.347
267 HD22 LEU 40 1HD2 LEU 40 10.168 -9.922 7.466
268 HD23 LEU 40 2HD2 LEU 40 11.174 -9.904 8.934
Start of MODEL 3
1 H1 GLU 1 1H GLU 1 -17.399 11.574 -6.141
2 H2 GLU 1 2H GLU 1 -15.770 11.691 -5.924
3 H3 GLU 1 3H GLU 1 -16.446 12.150 -7.360
4 HA GLU 1 HA GLU 1 -17.143 9.881 -7.800
5 HB2 GLU 1 1HB GLU 1 -14.971 10.793 -8.632
6 HB3 GLU 1 2HB GLU 1 -14.180 10.211 -7.170
7 HG2 GLU 1 1HG GLU 1 -13.665 8.662 -8.918
8 HG3 GLU 1 2HG GLU 1 -14.812 7.851 -7.853
9 H ALA 2 H ALA 2 -17.490 7.792 -7.025
10 HA ALA 2 HA ALA 2 -17.377 7.432 -4.161
11 HB1 ALA 2 3HB ALA 2 -19.118 6.368 -5.585
12 HB2 ALA 2 1HB ALA 2 -17.856 5.420 -6.415
13 HB3 ALA 2 2HB ALA 2 -18.186 5.146 -4.690
14 H ALA 3 H ALA 3 -16.093 5.855 -3.016
15 HA ALA 3 HA ALA 3 -13.343 5.691 -3.924
16 HB1 ALA 3 3HB ALA 3 -13.945 5.840 -1.508
17 HB2 ALA 3 1HB ALA 3 -14.778 4.268 -1.625
18 HB3 ALA 3 2HB ALA 3 -13.016 4.363 -1.854
19 H VAL 4 H VAL 4 -12.286 3.895 -4.766
20 HA VAL 4 HA VAL 4 -14.025 1.596 -5.560
21 HB VAL 4 HB VAL 4 -12.736 1.469 -7.679
22 HG11 VAL 4 1HG1 VAL 4 -13.791 3.355 -8.798
23 HG12 VAL 4 2HG1 VAL 4 -14.888 2.728 -7.550
24 HG13 VAL 4 3HG1 VAL 4 -13.972 4.224 -7.257
25 HG21 VAL 4 3HG2 VAL 4 -11.503 4.140 -6.824
26 HG22 VAL 4 1HG2 VAL 4 -10.638 2.583 -6.891
27 HG23 VAL 4 2HG2 VAL 4 -11.265 3.314 -8.379
28 H CYS 5 H CYS 5 -11.488 2.362 -3.596
29 HA CYS 5 HA CYS 5 -9.681 0.212 -4.413
30 HB2 CYS 5 1HB CYS 5 -9.220 2.518 -3.191
31 HB3 CYS 5 2HB CYS 5 -9.551 1.575 -1.733
32 H THR 6 H THR 6 -9.480 -1.812 -3.436
33 HA THR 6 HA THR 6 -11.835 -2.674 -1.908
34 HB THR 6 HB THR 6 -10.948 -4.930 -2.517
35 HG1 THR 6 1HG THR 6 -9.224 -4.881 -4.113
36 HG21 THR 6 1HG2 THR 6 -11.444 -4.793 -4.892
37 HG22 THR 6 2HG2 THR 6 -11.123 -3.045 -4.897
38 HG23 THR 6 3HG2 THR 6 -12.529 -3.690 -4.017
39 H THR 7 H THR 7 -11.529 -4.437 -0.279
40 HA THR 7 HA THR 7 -9.406 -3.711 1.629
41 HB THR 7 HB THR 7 -10.689 -5.328 3.122
42 HG1 THR 7 1HG THR 7 -12.595 -6.151 2.312
43 HG21 THR 7 1HG2 THR 7 -12.418 -3.175 1.828
44 HG22 THR 7 2HG2 THR 7 -11.201 -2.873 3.093
45 HG23 THR 7 3HG2 THR 7 -12.623 -3.879 3.447
46 H GLU 8 H GLU 8 -9.035 -5.225 -0.930
47 HA GLU 8 HA GLU 8 -8.329 -7.946 -0.236
48 HB2 GLU 8 1HB GLU 8 -7.743 -6.163 -2.607
49 HB3 GLU 8 2HB GLU 8 -7.075 -7.794 -2.469
50 HG2 GLU 8 1HG GLU 8 -9.254 -8.780 -2.442
51 HG3 GLU 8 2HG GLU 8 -10.027 -7.198 -2.314
52 H TRP 9 H TRP 9 -6.535 -8.727 0.591
53 HA TRP 9 HA TRP 9 -4.383 -7.125 1.598
54 HB2 TRP 9 1HB TRP 9 -4.753 -9.331 2.507
55 HB3 TRP 9 2HB TRP 9 -4.651 -10.076 0.909
56 HD1 TRP 9 HD TRP 9 -2.339 -11.086 0.286
57 HE1 TRP 9 1HE TRP 9 0.019 -11.064 1.196
58 HE3 TRP 9 3HE TRP 9 -2.981 -7.417 3.795
59 HZ2 TRP 9 2HZ TRP 9 1.497 -9.602 3.144
60 HZ3 TRP 9 3HZ TRP 9 -0.992 -6.709 5.133
61 HH2 TRP 9 HH TRP 9 1.220 -7.805 4.813
62 H ASP 10 H ASP 10 -3.184 -5.890 0.333
63 HA ASP 10 HA ASP 10 -2.042 -7.039 -2.167
64 HB2 ASP 10 1HB ASP 10 -4.069 -5.670 -2.731
65 HB3 ASP 10 2HB ASP 10 -3.351 -4.298 -1.895
66 HA PRO 11 HA PRO 11 0.680 -4.859 0.845
67 HB2 PRO 11 1HB PRO 11 2.862 -6.557 0.709
68 HB3 PRO 11 2HB PRO 11 1.474 -6.789 1.815
69 HG2 PRO 11 1HG PRO 11 1.947 -8.055 -0.877
70 HG3 PRO 11 2HG PRO 11 1.471 -8.815 0.659
71 HD2 PRO 11 1HD PRO 11 -0.345 -8.229 -1.213
72 HD3 PRO 11 2HD PRO 11 -0.699 -7.958 0.535
73 H VAL 12 H VAL 12 1.962 -3.265 0.374
74 HA VAL 12 HA VAL 12 3.711 -3.377 -2.023
75 HB VAL 12 HB VAL 12 2.997 -1.032 -2.626
76 HG11 VAL 12 1HG1 VAL 12 0.721 -3.058 -2.785
77 HG12 VAL 12 2HG1 VAL 12 0.962 -1.654 -3.842
78 HG13 VAL 12 3HG1 VAL 12 2.119 -2.997 -3.881
79 HG21 VAL 12 3HG2 VAL 12 0.633 -1.573 -0.765
80 HG22 VAL 12 1HG2 VAL 12 1.955 -0.421 -0.449
81 HG23 VAL 12 2HG2 VAL 12 0.855 -0.154 -1.812
82 H CYS 13 H CYS 13 5.367 -1.669 -1.862
83 HA CYS 13 HA CYS 13 5.820 -0.871 0.994
84 HB2 CYS 13 1HB CYS 13 7.334 -2.667 0.064
85 HB3 CYS 13 2HB CYS 13 7.868 -1.493 -1.141
86 H GLY 14 H GLY 14 5.873 1.276 1.289
87 HA2 GLY 14 1HA GLY 14 5.736 3.025 -1.058
88 HA3 GLY 14 2HA GLY 14 5.664 3.517 0.643
89 H LYS 15 H LYS 15 7.101 5.074 -1.057
90 HA LYS 15 HA LYS 15 9.895 4.336 -1.216
91 HB2 LYS 15 1HB LYS 15 8.491 7.034 -1.339
92 HB3 LYS 15 2HB LYS 15 10.224 6.793 -1.638
93 HG2 LYS 15 1HG LYS 15 9.659 5.182 -3.426
94 HG3 LYS 15 2HG LYS 15 7.952 5.534 -3.205
95 HD2 LYS 15 1HD LYS 15 8.402 7.907 -3.776
96 HD3 LYS 15 2HD LYS 15 10.097 7.475 -4.094
97 HE2 LYS 15 1HE LYS 15 7.659 6.285 -5.492
98 HE3 LYS 15 2HE LYS 15 8.731 7.518 -6.181
99 HZ1 LYS 15 3HZ LYS 15 9.667 4.814 -5.365
100 HZ2 LYS 15 1HZ LYS 15 10.510 5.937 -6.221
101 HZ3 LYS 15 2HZ LYS 15 9.204 5.193 -6.900
102 H ASP 16 H ASP 16 8.002 5.255 1.440
103 HA ASP 16 HA ASP 16 10.198 6.360 3.041
104 HB2 ASP 16 1HB ASP 16 7.747 6.955 3.311
105 HB3 ASP 16 2HB ASP 16 7.473 5.310 3.906
106 H GLY 17 H GLY 17 9.617 3.328 1.806
107 HA2 GLY 17 1HA GLY 17 10.648 1.333 2.329
108 HA3 GLY 17 2HA GLY 17 11.361 2.084 3.763
109 H LYS 18 H LYS 18 7.926 2.373 3.466
110 HA LYS 18 HA LYS 18 7.676 0.367 5.663
111 HB2 LYS 18 1HB LYS 18 5.760 2.620 4.986
112 HB3 LYS 18 2HB LYS 18 5.752 1.603 6.427
113 HG2 LYS 18 1HG LYS 18 7.830 3.695 5.685
114 HG3 LYS 18 2HG LYS 18 6.598 3.834 6.940
115 HD2 LYS 18 1HD LYS 18 7.685 1.859 8.102
116 HD3 LYS 18 2HD LYS 18 8.999 1.962 6.915
117 HE2 LYS 18 1HE LYS 18 8.155 4.141 8.871
118 HE3 LYS 18 2HE LYS 18 9.607 3.132 8.983
119 HZ1 LYS 18 3HZ LYS 18 10.301 5.155 8.053
120 HZ2 LYS 18 1HZ LYS 18 9.021 5.267 7.024
121 HZ3 LYS 18 2HZ LYS 18 10.205 4.157 6.740
122 H THR 19 H THR 19 6.254 -1.265 5.567
123 HA THR 19 HA THR 19 5.006 -1.886 2.988
124 HB THR 19 HB THR 19 4.971 -3.326 5.693
125 HG1 THR 19 1HG THR 19 6.894 -3.853 4.939
126 HG21 THR 19 1HG2 THR 19 3.941 -4.220 2.966
127 HG22 THR 19 2HG2 THR 19 2.966 -3.952 4.433
128 HG23 THR 19 3HG2 THR 19 4.141 -5.273 4.386
129 H TYR 20 H TYR 20 2.934 -1.577 2.458
130 HA TYR 20 HA TYR 20 1.023 -0.813 4.639
131 HB2 TYR 20 1HB TYR 20 1.149 0.007 1.724
132 HB3 TYR 20 2HB TYR 20 -0.255 0.287 2.764
133 HD1 TYR 20 2HD TYR 20 3.284 1.228 2.148
134 HD2 TYR 20 1HD TYR 20 -0.201 1.918 4.561
135 HE1 TYR 20 2HE TYR 20 4.340 3.284 3.083
136 HE2 TYR 20 1HE TYR 20 0.863 3.974 5.501
137 HH TYR 20 HH TYR 20 2.731 5.314 5.525
138 H SER 21 H SER 21 -0.797 -2.043 4.802
139 HA SER 21 HA SER 21 -0.630 -4.680 3.881
140 HB2 SER 21 1HB SER 21 -3.235 -3.363 4.681
141 HB3 SER 21 2HB SER 21 -2.688 -5.026 4.988
142 HG SER 21 HG SER 21 -2.332 -3.938 6.866
143 H ASN 22 H ASN 22 -2.988 -2.182 2.784
144 HA ASN 22 HA ASN 22 -2.983 -3.605 0.183
145 HB2 ASN 22 1HB ASN 22 -5.187 -2.645 -0.347
146 HB3 ASN 22 2HB ASN 22 -5.218 -3.783 0.996
147 HD21 ASN 22 2HD2 ASN 22 -7.311 -2.685 1.320
148 HD22 ASN 22 1HD2 ASN 22 -7.309 -1.255 2.326
149 H LEU 23 H LEU 23 -3.306 -2.135 -1.698
150 HA LEU 23 HA LEU 23 -1.428 0.012 -1.729
151 HB2 LEU 23 1HB LEU 23 -2.198 -1.281 -3.700
152 HB3 LEU 23 2HB LEU 23 -3.804 -0.584 -3.528
153 HG LEU 23 HG LEU 23 -2.873 1.660 -4.049
154 HD11 LEU 23 1HD1 LEU 23 -0.307 0.122 -4.605
155 HD12 LEU 23 2HD1 LEU 23 -0.546 1.338 -3.329
156 HD13 LEU 23 3HD1 LEU 23 -0.611 1.821 -5.032
157 HD21 LEU 23 3HD2 LEU 23 -2.524 1.203 -6.447
158 HD22 LEU 23 1HD2 LEU 23 -3.865 0.243 -5.791
159 HD23 LEU 23 2HD2 LEU 23 -2.286 -0.524 -6.085
160 H CYS 24 H CYS 24 -4.830 -0.152 -0.845
161 HA CYS 24 HA CYS 24 -5.493 2.577 -1.202
162 HB2 CYS 24 1HB CYS 24 -6.575 0.907 1.062
163 HB3 CYS 24 2HB CYS 24 -7.406 2.114 0.075
164 H TRP 25 H TRP 25 -4.113 0.878 1.691
165 HA TRP 25 HA TRP 25 -4.083 3.303 3.253
166 HB2 TRP 25 1HB TRP 25 -2.648 0.654 3.519
167 HB3 TRP 25 2HB TRP 25 -2.349 2.011 4.615
168 HD1 TRP 25 HD TRP 25 -4.535 -0.903 4.375
169 HE1 TRP 25 1HE TRP 25 -6.527 -0.777 5.952
170 HE3 TRP 25 3HE TRP 25 -4.180 4.060 5.539
171 HZ2 TRP 25 2HZ TRP 25 -7.836 1.232 7.501
172 HZ3 TRP 25 3HZ TRP 25 -5.870 5.050 7.099
173 HH2 TRP 25 HH TRP 25 -7.682 3.633 8.065
174 H LEU 26 H LEU 26 -1.804 1.894 0.935
175 HA LEU 26 HA LEU 26 0.412 3.618 1.575
176 HB2 LEU 26 1HB LEU 26 0.576 1.616 0.163
177 HB3 LEU 26 2HB LEU 26 -0.467 2.327 -1.031
178 HG LEU 26 HG LEU 26 1.994 2.124 -1.552
179 HD11 LEU 26 1HD1 LEU 26 0.790 4.883 -1.900
180 HD12 LEU 26 2HD1 LEU 26 0.367 3.459 -2.878
181 HD13 LEU 26 3HD1 LEU 26 2.018 4.107 -2.911
182 HD21 LEU 26 3HD2 LEU 26 3.448 3.933 -0.873
183 HD22 LEU 26 1HD2 LEU 26 2.886 3.008 0.531
184 HD23 LEU 26 2HD2 LEU 26 2.178 4.599 0.170
185 H ASN 27 H ASN 27 -2.382 3.898 -0.641
186 HA ASN 27 HA ASN 27 -1.678 6.481 -1.650
187 HB2 ASN 27 1HB ASN 27 -3.296 4.888 -2.707
188 HB3 ASN 27 2HB ASN 27 -4.429 5.200 -1.387
189 HD21 ASN 27 2HD2 ASN 27 -2.361 7.644 -2.920
190 HD22 ASN 27 1HD2 ASN 27 -3.678 8.533 -3.636
191 H GLU 28 H GLU 28 -3.745 5.469 1.109
192 HA GLU 28 HA GLU 28 -4.666 8.096 1.777
193 HB2 GLU 28 1HB GLU 28 -4.222 5.594 3.436
194 HB3 GLU 28 2HB GLU 28 -4.876 7.078 4.123
195 HG2 GLU 28 1HG GLU 28 -6.138 5.460 1.885
196 HG3 GLU 28 2HG GLU 28 -6.657 5.491 3.573
197 H ALA 29 H ALA 29 -1.647 6.388 2.541
198 HA ALA 29 HA ALA 29 -0.835 8.373 4.515
199 HB1 ALA 29 3HB ALA 29 0.665 6.138 3.103
200 HB2 ALA 29 1HB ALA 29 1.326 7.135 4.423
201 HB3 ALA 29 2HB ALA 29 -0.076 6.080 4.718
202 H GLY 30 H GLY 30 -0.851 8.253 1.081
203 HA2 GLY 30 1HA GLY 30 -0.247 9.931 -0.373
204 HA3 GLY 30 2HA GLY 30 0.397 10.855 0.985
205 H VAL 31 H VAL 31 1.768 7.716 0.784
206 HA VAL 31 HA VAL 31 4.293 8.919 -0.094
207 HB VAL 31 HB VAL 31 4.155 5.972 0.348
208 HG11 VAL 31 1HG1 VAL 31 5.971 8.160 1.435
209 HG12 VAL 31 2HG1 VAL 31 6.227 6.411 1.601
210 HG13 VAL 31 3HG1 VAL 31 6.279 7.160 -0.006
211 HG21 VAL 31 3HG2 VAL 31 4.198 6.261 2.857
212 HG22 VAL 31 1HG2 VAL 31 3.592 7.916 2.616
213 HG23 VAL 31 2HG2 VAL 31 2.623 6.510 2.094
214 H GLY 32 H GLY 32 5.364 8.276 -1.926
215 HA2 GLY 32 1HA GLY 32 3.758 7.188 -4.098
216 HA3 GLY 32 2HA GLY 32 5.501 7.562 -4.157
217 H LEU 33 H LEU 33 4.112 5.118 -5.097
218 HA LEU 33 HA LEU 33 4.849 2.993 -3.217
219 HB2 LEU 33 1HB LEU 33 2.974 2.788 -4.832
220 HB3 LEU 33 2HB LEU 33 4.101 2.949 -6.173
221 HG LEU 33 HG LEU 33 4.611 0.713 -4.255
222 HD11 LEU 33 1HD1 LEU 33 2.299 0.731 -6.231
223 HD12 LEU 33 2HD1 LEU 33 2.181 0.656 -4.456
224 HD13 LEU 33 3HD1 LEU 33 2.905 -0.693 -5.352
225 HD21 LEU 33 3HD2 LEU 33 5.176 -0.503 -6.307
226 HD22 LEU 33 1HD2 LEU 33 6.015 1.056 -6.305
227 HD23 LEU 33 2HD2 LEU 33 4.568 0.835 -7.308
228 H ASP 34 H ASP 34 6.736 1.756 -3.296
229 HA ASP 34 HA ASP 34 8.732 2.590 -5.381
230 HB2 ASP 34 1HB ASP 34 9.132 3.058 -2.811
231 HB3 ASP 34 2HB ASP 34 9.557 1.350 -2.757
232 H HIS 35 H HIS 35 7.952 -0.120 -3.133
233 HA HIS 35 HA HIS 35 8.620 -1.956 -5.383
234 HB2 HIS 35 1HB HIS 35 8.588 -2.801 -2.515
235 HB3 HIS 35 2HB HIS 35 9.356 -3.587 -3.891
236 HD1 HIS 35 1HD HIS 35 11.435 -2.015 -4.995
237 HD2 HIS 35 2HD HIS 35 10.276 -1.253 -1.069
238 HE1 HIS 35 1HE HIS 35 13.312 -0.670 -3.930
239 H GLU 36 H GLU 36 7.310 -3.863 -5.641
240 HA GLU 36 HA GLU 36 4.558 -3.603 -4.490
241 HB2 GLU 36 1HB GLU 36 5.665 -5.307 -6.765
242 HB3 GLU 36 2HB GLU 36 4.012 -5.404 -6.143
243 HG2 GLU 36 1HG GLU 36 3.633 -3.047 -6.797
244 HG3 GLU 36 2HG GLU 36 5.280 -2.970 -7.444
245 H GLY 37 H GLY 37 3.838 -5.394 -3.192
246 HA2 GLY 37 1HA GLY 37 4.178 -7.423 -2.027
247 HA3 GLY 37 2HA GLY 37 5.882 -7.448 -2.536
248 H GLU 38 H GLU 38 5.454 -7.917 0.059
249 HA GLU 38 HA GLU 38 5.486 -5.426 1.610
250 HB2 GLU 38 1HB GLU 38 6.220 -7.328 3.397
251 HB3 GLU 38 2HB GLU 38 4.549 -6.932 3.001
252 HG2 GLU 38 1HG GLU 38 4.407 -8.814 1.458
253 HG3 GLU 38 2HG GLU 38 6.106 -9.206 1.747
254 H CYS 39 H CYS 39 7.283 -4.893 3.058
255 HA CYS 39 HA CYS 39 9.948 -5.847 2.140
256 HB2 CYS 39 1HB CYS 39 10.719 -3.516 1.951
257 HB3 CYS 39 2HB CYS 39 9.409 -3.845 0.807
258 H LEU 40 H LEU 40 11.669 -4.869 3.590
259 HA LEU 40 HA LEU 40 10.794 -4.190 6.328
260 HB2 LEU 40 1HB LEU 40 12.698 -6.458 5.588
261 HB3 LEU 40 2HB LEU 40 12.536 -5.785 7.202
262 HG LEU 40 HG LEU 40 10.325 -7.254 5.724
263 HD11 LEU 40 1HD1 LEU 40 12.213 -8.188 7.920
264 HD12 LEU 40 2HD1 LEU 40 12.239 -8.713 6.221
265 HD13 LEU 40 3HD1 LEU 40 10.850 -9.114 7.250
266 HD21 LEU 40 3HD2 LEU 40 10.585 -6.323 8.615
267 HD22 LEU 40 1HD2 LEU 40 9.286 -7.365 7.984
268 HD23 LEU 40 2HD2 LEU 40 9.449 -5.700 7.397
Start of MODEL 4
1 H1 GLU 1 1H GLU 1 -6.411 5.603 -10.150
2 H2 GLU 1 2H GLU 1 -6.882 6.488 -8.837
3 H3 GLU 1 3H GLU 1 -7.632 5.061 -9.175
4 HA GLU 1 HA GLU 1 -7.727 7.506 -10.828
5 HB2 GLU 1 1HB GLU 1 -9.101 4.813 -11.177
6 HB3 GLU 1 2HB GLU 1 -9.455 6.264 -12.128
7 HG2 GLU 1 1HG GLU 1 -7.099 6.278 -12.938
8 HG3 GLU 1 2HG GLU 1 -6.828 4.746 -12.090
9 H ALA 2 H ALA 2 -10.783 6.643 -10.951
10 HA ALA 2 HA ALA 2 -11.619 8.266 -8.729
11 HB1 ALA 2 3HB ALA 2 -13.023 7.952 -10.751
12 HB2 ALA 2 1HB ALA 2 -13.186 6.217 -10.382
13 HB3 ALA 2 2HB ALA 2 -13.894 7.431 -9.292
14 H ALA 3 H ALA 3 -11.248 4.774 -9.279
15 HA ALA 3 HA ALA 3 -11.919 4.169 -6.473
16 HB1 ALA 3 3HB ALA 3 -10.860 2.393 -8.733
17 HB2 ALA 3 1HB ALA 3 -11.401 1.832 -7.133
18 HB3 ALA 3 2HB ALA 3 -12.571 2.557 -8.260
19 H VAL 4 H VAL 4 -10.396 4.201 -4.916
20 HA VAL 4 HA VAL 4 -7.526 4.092 -5.733
21 HB VAL 4 HB VAL 4 -6.996 5.641 -3.859
22 HG11 VAL 4 1HG1 VAL 4 -7.770 7.698 -4.911
23 HG12 VAL 4 2HG1 VAL 4 -7.338 6.514 -6.159
24 HG13 VAL 4 3HG1 VAL 4 -9.050 6.821 -5.778
25 HG21 VAL 4 3HG2 VAL 4 -10.026 6.001 -3.600
26 HG22 VAL 4 1HG2 VAL 4 -8.971 5.194 -2.408
27 HG23 VAL 4 2HG2 VAL 4 -8.780 6.921 -2.734
28 H CYS 5 H CYS 5 -9.970 2.720 -3.720
29 HA CYS 5 HA CYS 5 -7.851 1.567 -1.948
30 HB2 CYS 5 1HB CYS 5 -9.659 2.968 -0.921
31 HB3 CYS 5 2HB CYS 5 -10.855 1.849 -1.576
32 H THR 6 H THR 6 -7.526 -0.643 -1.973
33 HA THR 6 HA THR 6 -9.498 -2.372 -3.327
34 HB THR 6 HB THR 6 -7.725 -4.087 -2.893
35 HG1 THR 6 1HG THR 6 -6.273 -3.616 -1.478
36 HG21 THR 6 1HG2 THR 6 -6.614 -1.645 -4.300
37 HG22 THR 6 2HG2 THR 6 -7.727 -2.824 -5.040
38 HG23 THR 6 3HG2 THR 6 -6.098 -3.329 -4.536
39 H THR 7 H THR 7 -10.492 -4.107 -2.015
40 HA THR 7 HA THR 7 -9.956 -3.881 0.884
41 HB THR 7 HB THR 7 -11.942 -5.402 1.161
42 HG1 THR 7 1HG THR 7 -13.160 -5.809 -0.686
43 HG21 THR 7 1HG2 THR 7 -13.653 -3.744 0.653
44 HG22 THR 7 2HG2 THR 7 -12.569 -2.908 -0.482
45 HG23 THR 7 3HG2 THR 7 -12.211 -2.905 1.263
46 H GLU 8 H GLU 8 -8.923 -5.130 -1.652
47 HA GLU 8 HA GLU 8 -8.397 -7.904 -0.993
48 HB2 GLU 8 1HB GLU 8 -8.501 -6.540 -3.312
49 HB3 GLU 8 2HB GLU 8 -6.759 -6.559 -3.078
50 HG2 GLU 8 1HG GLU 8 -8.599 -8.985 -3.126
51 HG3 GLU 8 2HG GLU 8 -7.568 -8.449 -4.462
52 H TRP 9 H TRP 9 -6.752 -8.728 0.052
53 HA TRP 9 HA TRP 9 -4.722 -7.181 1.420
54 HB2 TRP 9 1HB TRP 9 -5.179 -9.382 2.267
55 HB3 TRP 9 2HB TRP 9 -5.008 -10.111 0.666
56 HD1 TRP 9 HD TRP 9 -2.641 -11.060 0.058
57 HE1 TRP 9 1HE TRP 9 -0.344 -11.128 1.099
58 HE3 TRP 9 3HE TRP 9 -3.482 -7.688 3.815
59 HZ2 TRP 9 2HZ TRP 9 1.024 -9.823 3.216
60 HZ3 TRP 9 3HZ TRP 9 -1.569 -7.107 5.317
61 HH2 TRP 9 HH TRP 9 0.662 -8.169 5.016
62 H ASP 10 H ASP 10 -3.422 -5.934 0.255
63 HA ASP 10 HA ASP 10 -2.055 -7.098 -2.114
64 HB2 ASP 10 1HB ASP 10 -4.062 -5.748 -2.809
65 HB3 ASP 10 2HB ASP 10 -3.318 -4.344 -2.051
66 HA PRO 11 HA PRO 11 0.547 -4.925 0.985
67 HB2 PRO 11 1HB PRO 11 2.719 -6.628 0.873
68 HB3 PRO 11 2HB PRO 11 1.324 -6.848 1.978
69 HG2 PRO 11 1HG PRO 11 1.809 -8.139 -0.698
70 HG3 PRO 11 2HG PRO 11 1.338 -8.880 0.839
71 HD2 PRO 11 1HD PRO 11 -0.477 -8.301 -1.055
72 HD3 PRO 11 2HD PRO 11 -0.846 -8.003 0.684
73 H VAL 12 H VAL 12 1.823 -3.332 0.501
74 HA VAL 12 HA VAL 12 3.569 -3.451 -1.899
75 HB VAL 12 HB VAL 12 2.764 -1.124 -2.527
76 HG11 VAL 12 1HG1 VAL 12 2.040 -3.134 -3.802
77 HG12 VAL 12 2HG1 VAL 12 0.630 -3.296 -2.739
78 HG13 VAL 12 3HG1 VAL 12 0.795 -1.873 -3.786
79 HG21 VAL 12 3HG2 VAL 12 0.380 -1.812 -0.748
80 HG22 VAL 12 1HG2 VAL 12 1.632 -0.606 -0.362
81 HG23 VAL 12 2HG2 VAL 12 0.574 -0.368 -1.765
82 H CYS 13 H CYS 13 5.109 -1.616 -1.814
83 HA CYS 13 HA CYS 13 5.599 -0.791 1.028
84 HB2 CYS 13 1HB CYS 13 7.064 -2.626 0.219
85 HB3 CYS 13 2HB CYS 13 7.573 -1.594 -1.117
86 H GLY 14 H GLY 14 5.649 1.336 1.291
87 HA2 GLY 14 1HA GLY 14 5.484 3.055 -1.068
88 HA3 GLY 14 2HA GLY 14 5.399 3.557 0.626
89 H LYS 15 H LYS 15 6.783 5.036 -1.269
90 HA LYS 15 HA LYS 15 9.579 4.452 -1.390
91 HB2 LYS 15 1HB LYS 15 8.117 7.117 -1.502
92 HB3 LYS 15 2HB LYS 15 9.827 6.874 -1.901
93 HG2 LYS 15 1HG LYS 15 9.106 5.194 -3.605
94 HG3 LYS 15 2HG LYS 15 7.445 5.663 -3.323
95 HD2 LYS 15 1HD LYS 15 8.000 7.976 -3.997
96 HD3 LYS 15 2HD LYS 15 9.669 7.457 -4.327
97 HE2 LYS 15 1HE LYS 15 7.173 6.308 -5.655
98 HE3 LYS 15 2HE LYS 15 8.242 7.519 -6.386
99 HZ1 LYS 15 3HZ LYS 15 9.998 5.927 -6.464
100 HZ2 LYS 15 1HZ LYS 15 8.666 5.162 -7.066
101 HZ3 LYS 15 2HZ LYS 15 9.193 4.832 -5.540
102 H ASP 16 H ASP 16 7.704 5.561 1.275
103 HA ASP 16 HA ASP 16 9.979 6.721 2.700
104 HB2 ASP 16 1HB ASP 16 7.191 5.920 3.619
105 HB3 ASP 16 2HB ASP 16 8.411 6.646 4.674
106 H GLY 17 H GLY 17 9.503 3.614 1.738
107 HA2 GLY 17 1HA GLY 17 10.760 1.790 2.419
108 HA3 GLY 17 2HA GLY 17 11.299 2.692 3.839
109 H LYS 18 H LYS 18 7.853 2.480 3.320
110 HA LYS 18 HA LYS 18 7.762 0.514 5.573
111 HB2 LYS 18 1HB LYS 18 5.955 2.920 5.162
112 HB3 LYS 18 2HB LYS 18 5.854 1.760 6.492
113 HG2 LYS 18 1HG LYS 18 8.227 3.592 5.949
114 HG3 LYS 18 2HG LYS 18 6.960 3.918 7.130
115 HD2 LYS 18 1HD LYS 18 7.649 2.176 8.561
116 HD3 LYS 18 2HD LYS 18 8.551 1.337 7.294
117 HE2 LYS 18 1HE LYS 18 9.359 4.052 8.390
118 HE3 LYS 18 2HE LYS 18 9.985 2.504 8.995
119 HZ1 LYS 18 3HZ LYS 18 11.510 3.301 7.380
120 HZ2 LYS 18 1HZ LYS 18 10.334 3.612 6.264
121 HZ3 LYS 18 2HZ LYS 18 10.710 2.050 6.655
122 H THR 19 H THR 19 6.332 -1.050 5.573
123 HA THR 19 HA THR 19 5.023 -1.698 3.048
124 HB THR 19 HB THR 19 5.006 -3.149 5.740
125 HG1 THR 19 1HG THR 19 6.846 -4.112 5.077
126 HG21 THR 19 1HG2 THR 19 4.405 -4.060 2.899
127 HG22 THR 19 2HG2 THR 19 3.281 -4.026 4.280
128 HG23 THR 19 3HG2 THR 19 4.646 -5.157 4.282
129 H TYR 20 H TYR 20 2.903 -1.554 2.586
130 HA TYR 20 HA TYR 20 1.019 -0.941 4.839
131 HB2 TYR 20 1HB TYR 20 0.976 -0.075 1.934
132 HB3 TYR 20 2HB TYR 20 -0.406 0.079 3.030
133 HD1 TYR 20 2HD TYR 20 3.041 1.294 2.323
134 HD2 TYR 20 1HD TYR 20 -0.421 1.724 4.841
135 HE1 TYR 20 2HE TYR 20 3.972 3.409 3.256
136 HE2 TYR 20 1HE TYR 20 0.519 3.830 5.769
137 HH TYR 20 HH TYR 20 3.640 5.163 4.716
138 H SER 21 H SER 21 -0.743 -2.277 5.019
139 HA SER 21 HA SER 21 -0.424 -4.921 4.060
140 HB2 SER 21 1HB SER 21 -2.922 -5.029 4.897
141 HB3 SER 21 2HB SER 21 -1.601 -4.735 6.053
142 HG SER 21 HG SER 21 -3.243 -3.218 6.368
143 H ASN 22 H ASN 22 -2.881 -2.476 3.113
144 HA ASN 22 HA ASN 22 -3.206 -4.026 0.586
145 HB2 ASN 22 1HB ASN 22 -5.130 -1.973 1.672
146 HB3 ASN 22 2HB ASN 22 -5.326 -2.923 0.220
147 HD21 ASN 22 2HD2 ASN 22 -7.391 -3.073 1.777
148 HD22 ASN 22 1HD2 ASN 22 -7.437 -4.581 2.661
149 H LEU 23 H LEU 23 -3.632 -2.627 -1.274
150 HA LEU 23 HA LEU 23 -1.699 -0.483 -1.588
151 HB2 LEU 23 1HB LEU 23 -2.427 -1.914 -3.453
152 HB3 LEU 23 2HB LEU 23 -4.090 -1.375 -3.247
153 HG LEU 23 HG LEU 23 -3.474 0.886 -3.972
154 HD11 LEU 23 1HD1 LEU 23 -1.257 1.301 -5.007
155 HD12 LEU 23 2HD1 LEU 23 -0.699 -0.281 -4.415
156 HD13 LEU 23 3HD1 LEU 23 -1.137 1.006 -3.266
157 HD21 LEU 23 3HD2 LEU 23 -3.075 0.325 -6.331
158 HD22 LEU 23 1HD2 LEU 23 -4.239 -0.795 -5.596
159 HD23 LEU 23 2HD2 LEU 23 -2.557 -1.311 -5.865
160 H CYS 24 H CYS 24 -5.010 -0.825 -0.606
161 HA CYS 24 HA CYS 24 -5.999 1.796 -0.892
162 HB2 CYS 24 1HB CYS 24 -7.260 -0.234 -0.106
163 HB3 CYS 24 2HB CYS 24 -6.408 -0.131 1.433
164 H TRP 25 H TRP 25 -4.223 0.347 1.891
165 HA TRP 25 HA TRP 25 -4.305 2.790 3.366
166 HB2 TRP 25 1HB TRP 25 -2.505 0.369 3.697
167 HB3 TRP 25 2HB TRP 25 -2.782 1.640 4.901
168 HD1 TRP 25 HD TRP 25 -4.019 -1.685 4.043
169 HE1 TRP 25 1HE TRP 25 -6.272 -2.234 5.079
170 HE3 TRP 25 3HE TRP 25 -5.286 3.055 5.468
171 HZ2 TRP 25 2HZ TRP 25 -8.386 -0.796 6.345
172 HZ3 TRP 25 3HZ TRP 25 -7.486 3.414 6.609
173 HH2 TRP 25 HH TRP 25 -9.016 1.491 7.036
174 H LEU 26 H LEU 26 -2.053 1.522 0.990
175 HA LEU 26 HA LEU 26 0.118 3.327 1.572
176 HB2 LEU 26 1HB LEU 26 0.296 1.298 0.194
177 HB3 LEU 26 2HB LEU 26 -0.790 1.965 -0.990
178 HG LEU 26 HG LEU 26 1.644 1.814 -1.589
179 HD11 LEU 26 1HD1 LEU 26 0.434 4.577 -1.857
180 HD12 LEU 26 2HD1 LEU 26 0.003 3.173 -2.858
181 HD13 LEU 26 3HD1 LEU 26 1.651 3.828 -2.900
182 HD21 LEU 26 3HD2 LEU 26 2.598 2.629 0.471
183 HD22 LEU 26 1HD2 LEU 26 1.863 4.227 0.199
184 HD23 LEU 26 2HD2 LEU 26 3.105 3.619 -0.912
185 H ASN 27 H ASN 27 -2.643 3.426 -0.714
186 HA ASN 27 HA ASN 27 -2.003 6.021 -1.740
187 HB2 ASN 27 1HB ASN 27 -4.586 4.418 -1.688
188 HB3 ASN 27 2HB ASN 27 -4.423 5.976 -2.510
189 HD21 ASN 27 2HD2 ASN 27 -5.035 3.376 -3.652
190 HD22 ASN 27 1HD2 ASN 27 -3.763 3.063 -4.815
191 H GLU 28 H GLU 28 -4.179 4.974 0.925
192 HA GLU 28 HA GLU 28 -5.206 7.623 1.393
193 HB2 GLU 28 1HB GLU 28 -4.967 5.215 3.234
194 HB3 GLU 28 2HB GLU 28 -5.795 6.714 3.664
195 HG2 GLU 28 1HG GLU 28 -6.579 4.794 1.447
196 HG3 GLU 28 2HG GLU 28 -7.433 5.066 2.965
197 H ALA 29 H ALA 29 -2.222 6.014 2.392
198 HA ALA 29 HA ALA 29 -1.628 8.030 4.426
199 HB1 ALA 29 3HB ALA 29 0.584 6.882 4.492
200 HB2 ALA 29 1HB ALA 29 -0.786 5.769 4.706
201 HB3 ALA 29 2HB ALA 29 0.056 5.844 3.143
202 H GLY 30 H GLY 30 -1.454 7.897 1.003
203 HA2 GLY 30 1HA GLY 30 -0.823 9.589 -0.426
204 HA3 GLY 30 2HA GLY 30 -0.307 10.544 0.967
205 H VAL 31 H VAL 31 1.113 7.380 0.604
206 HA VAL 31 HA VAL 31 3.693 8.692 0.003
207 HB VAL 31 HB VAL 31 3.532 5.727 0.353
208 HG11 VAL 31 1HG1 VAL 31 5.586 6.112 1.654
209 HG12 VAL 31 2HG1 VAL 31 5.678 6.861 0.047
210 HG13 VAL 31 3HG1 VAL 31 5.365 7.870 1.479
211 HG21 VAL 31 3HG2 VAL 31 2.952 7.643 2.633
212 HG22 VAL 31 1HG2 VAL 31 1.978 6.255 2.074
213 HG23 VAL 31 2HG2 VAL 31 3.533 5.978 2.861
214 H GLY 32 H GLY 32 4.841 8.195 -1.849
215 HA2 GLY 32 1HA GLY 32 3.344 7.130 -4.098
216 HA3 GLY 32 2HA GLY 32 5.084 7.532 -4.080
217 H LEU 33 H LEU 33 3.665 5.068 -5.074
218 HA LEU 33 HA LEU 33 4.456 2.940 -3.223
219 HB2 LEU 33 1HB LEU 33 2.554 2.749 -4.819
220 HB3 LEU 33 2HB LEU 33 3.673 2.887 -6.168
221 HG LEU 33 HG LEU 33 4.199 0.677 -4.230
222 HD11 LEU 33 1HD1 LEU 33 1.763 0.622 -4.376
223 HD12 LEU 33 2HD1 LEU 33 2.463 -0.738 -5.276
224 HD13 LEU 33 3HD1 LEU 33 1.843 0.679 -6.154
225 HD21 LEU 33 3HD2 LEU 33 4.093 0.760 -7.282
226 HD22 LEU 33 1HD2 LEU 33 4.718 -0.567 -6.278
227 HD23 LEU 33 2HD2 LEU 33 5.560 0.990 -6.311
228 H ASP 34 H ASP 34 6.368 1.748 -3.328
229 HA ASP 34 HA ASP 34 8.300 2.597 -5.459
230 HB2 ASP 34 1HB ASP 34 8.775 3.055 -2.904
231 HB3 ASP 34 2HB ASP 34 9.228 1.353 -2.888
232 H HIS 35 H HIS 35 7.595 -0.125 -3.209
233 HA HIS 35 HA HIS 35 8.185 -1.958 -5.509
234 HB2 HIS 35 1HB HIS 35 8.241 -2.762 -2.592
235 HB3 HIS 35 2HB HIS 35 8.885 -3.639 -3.976
236 HD1 HIS 35 1HD HIS 35 10.568 -2.778 -1.377
237 HD2 HIS 35 2HD HIS 35 10.553 -0.783 -5.050
238 HE1 HIS 35 1HE HIS 35 12.693 -1.385 -1.463
239 H GLU 36 H GLU 36 6.849 -3.852 -5.682
240 HA GLU 36 HA GLU 36 4.198 -3.634 -4.302
241 HB2 GLU 36 1HB GLU 36 5.108 -5.262 -6.716
242 HB3 GLU 36 2HB GLU 36 3.545 -5.460 -5.908
243 HG2 GLU 36 1HG GLU 36 2.987 -3.102 -6.439
244 HG3 GLU 36 2HG GLU 36 4.530 -2.943 -7.297
245 H GLY 37 H GLY 37 3.648 -5.497 -2.996
246 HA2 GLY 37 1HA GLY 37 4.195 -7.483 -1.846
247 HA3 GLY 37 2HA GLY 37 5.843 -7.435 -2.507
248 H GLU 38 H GLU 38 5.576 -7.901 0.147
249 HA GLU 38 HA GLU 38 5.527 -5.499 1.738
250 HB2 GLU 38 1HB GLU 38 6.616 -8.269 2.346
251 HB3 GLU 38 2HB GLU 38 6.349 -6.996 3.540
252 HG2 GLU 38 1HG GLU 38 3.924 -7.021 2.987
253 HG3 GLU 38 2HG GLU 38 4.212 -8.373 1.882
254 H CYS 39 H CYS 39 7.235 -4.732 3.099
255 HA CYS 39 HA CYS 39 10.034 -5.181 2.120
256 HB2 CYS 39 1HB CYS 39 8.639 -2.672 3.125
257 HB3 CYS 39 2HB CYS 39 10.372 -2.893 3.349
258 H LEU 40 H LEU 40 11.536 -4.805 4.048
259 HA LEU 40 HA LEU 40 10.306 -5.269 6.696
260 HB2 LEU 40 1HB LEU 40 10.940 -7.525 5.782
261 HB3 LEU 40 2HB LEU 40 12.563 -6.914 5.468
262 HG LEU 40 HG LEU 40 12.936 -6.630 7.893
263 HD11 LEU 40 1HD1 LEU 40 10.163 -7.864 8.137
264 HD12 LEU 40 2HD1 LEU 40 10.676 -6.254 8.694
265 HD13 LEU 40 3HD1 LEU 40 11.325 -7.705 9.477
266 HD21 LEU 40 3HD2 LEU 40 13.572 -8.707 6.736
267 HD22 LEU 40 1HD2 LEU 40 11.964 -9.395 7.071
268 HD23 LEU 40 2HD2 LEU 40 13.079 -9.030 8.410
Start of MODEL 5
1 H1 GLU 1 1H GLU 1 -11.108 3.810 -10.012
2 H2 GLU 1 2H GLU 1 -11.363 4.798 -8.720
3 H3 GLU 1 3H GLU 1 -10.223 5.197 -9.847
4 HA GLU 1 HA GLU 1 -8.973 3.166 -9.265
5 HB2 GLU 1 1HB GLU 1 -8.265 4.060 -6.948
6 HB3 GLU 1 2HB GLU 1 -8.001 5.074 -8.356
7 HG2 GLU 1 1HG GLU 1 -10.525 5.505 -6.736
8 HG3 GLU 1 2HG GLU 1 -8.980 6.080 -6.101
9 H ALA 2 H ALA 2 -10.394 1.339 -9.259
10 HA ALA 2 HA ALA 2 -11.878 -0.209 -8.441
11 HB1 ALA 2 3HB ALA 2 -10.837 0.580 -5.657
12 HB2 ALA 2 1HB ALA 2 -11.683 -0.926 -6.098
13 HB3 ALA 2 2HB ALA 2 -10.052 -0.607 -6.722
14 H ALA 3 H ALA 3 -13.148 0.423 -5.615
15 HA ALA 3 HA ALA 3 -15.142 2.386 -6.528
16 HB1 ALA 3 3HB ALA 3 -15.934 2.177 -4.104
17 HB2 ALA 3 1HB ALA 3 -15.945 0.650 -5.011
18 HB3 ALA 3 2HB ALA 3 -14.644 0.974 -3.846
19 H VAL 4 H VAL 4 -13.369 2.377 -3.460
20 HA VAL 4 HA VAL 4 -11.692 4.608 -4.376
21 HB VAL 4 HB VAL 4 -11.930 5.623 -1.966
22 HG11 VAL 4 1HG1 VAL 4 -13.719 7.133 -2.703
23 HG12 VAL 4 2HG1 VAL 4 -12.596 6.795 -4.036
24 HG13 VAL 4 3HG1 VAL 4 -14.180 5.989 -3.986
25 HG21 VAL 4 3HG2 VAL 4 -14.667 4.251 -2.202
26 HG22 VAL 4 1HG2 VAL 4 -13.394 3.812 -1.034
27 HG23 VAL 4 2HG2 VAL 4 -14.169 5.399 -0.945
28 H CYS 5 H CYS 5 -12.389 2.183 -2.003
29 HA CYS 5 HA CYS 5 -9.472 1.795 -1.564
30 HB2 CYS 5 1HB CYS 5 -11.009 2.456 0.411
31 HB3 CYS 5 2HB CYS 5 -11.649 0.813 0.293
32 H THR 6 H THR 6 -8.631 -0.365 -1.840
33 HA THR 6 HA THR 6 -10.584 -2.402 -2.802
34 HB THR 6 HB THR 6 -8.385 -3.699 -3.090
35 HG1 THR 6 1HG THR 6 -6.525 -2.300 -3.221
36 HG21 THR 6 1HG2 THR 6 -7.754 -2.602 -5.169
37 HG22 THR 6 2HG2 THR 6 -8.587 -1.115 -4.660
38 HG23 THR 6 3HG2 THR 6 -9.522 -2.593 -5.001
39 H THR 7 H THR 7 -10.782 -4.367 -1.504
40 HA THR 7 HA THR 7 -9.572 -4.166 1.181
41 HB THR 7 HB THR 7 -11.248 -5.941 1.820
42 HG1 THR 7 1HG THR 7 -12.792 -6.466 0.291
43 HG21 THR 7 1HG2 THR 7 -13.195 -4.486 1.826
44 HG22 THR 7 2HG2 THR 7 -12.518 -3.494 0.515
45 HG23 THR 7 3HG2 THR 7 -11.751 -3.495 2.123
46 H GLU 8 H GLU 8 -8.725 -5.231 -1.509
47 HA GLU 8 HA GLU 8 -8.137 -8.036 -1.039
48 HB2 GLU 8 1HB GLU 8 -8.451 -6.605 -3.259
49 HB3 GLU 8 2HB GLU 8 -6.696 -6.527 -3.179
50 HG2 GLU 8 1HG GLU 8 -8.407 -9.050 -3.219
51 HG3 GLU 8 2HG GLU 8 -7.490 -8.399 -4.589
52 H TRP 9 H TRP 9 -6.391 -8.949 -0.185
53 HA TRP 9 HA TRP 9 -4.322 -7.412 1.130
54 HB2 TRP 9 1HB TRP 9 -4.783 -9.638 1.954
55 HB3 TRP 9 2HB TRP 9 -4.544 -10.343 0.351
56 HD1 TRP 9 HD TRP 9 -2.160 -11.338 -0.108
57 HE1 TRP 9 1HE TRP 9 0.139 -11.265 1.022
58 HE3 TRP 9 3HE TRP 9 -3.149 -7.714 3.424
59 HZ2 TRP 9 2HZ TRP 9 1.418 -9.778 3.075
60 HZ3 TRP 9 3HZ TRP 9 -1.287 -7.037 4.957
61 HH2 TRP 9 HH TRP 9 0.957 -8.059 4.776
62 H ASP 10 H ASP 10 -3.045 -6.142 -0.026
63 HA ASP 10 HA ASP 10 -1.669 -7.268 -2.419
64 HB2 ASP 10 1HB ASP 10 -3.679 -5.879 -3.096
65 HB3 ASP 10 2HB ASP 10 -2.938 -4.506 -2.294
66 HA PRO 11 HA PRO 11 0.782 -5.147 0.867
67 HB2 PRO 11 1HB PRO 11 2.984 -6.818 0.769
68 HB3 PRO 11 2HB PRO 11 1.544 -7.094 1.791
69 HG2 PRO 11 1HG PRO 11 2.182 -8.271 -0.914
70 HG3 PRO 11 2HG PRO 11 1.597 -9.070 0.600
71 HD2 PRO 11 1HD PRO 11 -0.113 -8.459 -1.342
72 HD3 PRO 11 2HD PRO 11 -0.533 -8.195 0.386
73 H VAL 12 H VAL 12 1.998 -3.486 0.489
74 HA VAL 12 HA VAL 12 3.822 -3.465 -1.864
75 HB VAL 12 HB VAL 12 3.031 -1.118 -2.342
76 HG11 VAL 12 1HG1 VAL 12 1.129 -1.761 -3.694
77 HG12 VAL 12 2HG1 VAL 12 2.317 -3.069 -3.712
78 HG13 VAL 12 3HG1 VAL 12 0.864 -3.212 -2.709
79 HG21 VAL 12 3HG2 VAL 12 0.644 -1.883 -0.611
80 HG22 VAL 12 1HG2 VAL 12 1.893 -0.686 -0.188
81 HG23 VAL 12 2HG2 VAL 12 0.826 -0.401 -1.573
82 H CYS 13 H CYS 13 5.370 -1.689 -1.690
83 HA CYS 13 HA CYS 13 5.742 -0.775 1.135
84 HB2 CYS 13 1HB CYS 13 7.124 -2.777 0.603
85 HB3 CYS 13 2HB CYS 13 7.851 -1.887 -0.734
86 H GLY 14 H GLY 14 5.877 1.353 1.209
87 HA2 GLY 14 1HA GLY 14 5.969 2.834 -1.309
88 HA3 GLY 14 2HA GLY 14 5.737 3.502 0.311
89 H LYS 15 H LYS 15 7.244 4.947 -1.322
90 HA LYS 15 HA LYS 15 10.033 4.315 -1.392
91 HB2 LYS 15 1HB LYS 15 8.614 7.004 -1.438
92 HB3 LYS 15 2HB LYS 15 10.322 6.755 -1.791
93 HG2 LYS 15 1HG LYS 15 9.418 5.024 -3.566
94 HG3 LYS 15 2HG LYS 15 7.915 5.920 -3.394
95 HD2 LYS 15 1HD LYS 15 9.001 6.925 -5.221
96 HD3 LYS 15 2HD LYS 15 9.291 8.033 -3.870
97 HE2 LYS 15 1HE LYS 15 11.357 7.762 -5.133
98 HE3 LYS 15 2HE LYS 15 11.558 6.989 -3.553
99 HZ1 LYS 15 3HZ LYS 15 11.265 4.852 -4.554
100 HZ2 LYS 15 1HZ LYS 15 12.395 5.654 -5.445
101 HZ3 LYS 15 2HZ LYS 15 10.856 5.499 -6.019
102 H ASP 16 H ASP 16 8.112 5.299 1.273
103 HA ASP 16 HA ASP 16 10.452 6.338 2.765
104 HB2 ASP 16 1HB ASP 16 7.529 6.003 3.560
105 HB3 ASP 16 2HB ASP 16 8.790 6.646 4.619
106 H GLY 17 H GLY 17 9.701 3.369 1.823
107 HA2 GLY 17 1HA GLY 17 10.448 1.344 2.632
108 HA3 GLY 17 2HA GLY 17 10.970 2.138 4.122
109 H LYS 18 H LYS 18 7.810 3.025 3.781
110 HA LYS 18 HA LYS 18 7.084 1.138 5.881
111 HB2 LYS 18 1HB LYS 18 5.437 3.336 4.587
112 HB3 LYS 18 2HB LYS 18 5.008 2.448 6.046
113 HG2 LYS 18 1HG LYS 18 7.331 4.389 5.684
114 HG3 LYS 18 2HG LYS 18 5.871 4.652 6.639
115 HD2 LYS 18 1HD LYS 18 8.041 2.581 7.239
116 HD3 LYS 18 2HD LYS 18 7.853 4.139 8.048
117 HE2 LYS 18 1HE LYS 18 5.648 3.448 8.924
118 HE3 LYS 18 2HE LYS 18 5.795 1.887 8.087
119 HZ1 LYS 18 3HZ LYS 18 6.468 1.706 10.401
120 HZ2 LYS 18 1HZ LYS 18 7.628 2.863 10.206
121 HZ3 LYS 18 2HZ LYS 18 7.765 1.420 9.421
122 H THR 19 H THR 19 5.921 -0.597 5.778
123 HA THR 19 HA THR 19 4.920 -1.574 3.215
124 HB THR 19 HB THR 19 4.770 -2.748 6.032
125 HG1 THR 19 1HG THR 19 6.626 -3.866 5.403
126 HG21 THR 19 1HG2 THR 19 4.585 -4.905 4.770
127 HG22 THR 19 2HG2 THR 19 4.358 -3.959 3.277
128 HG23 THR 19 3HG2 THR 19 3.172 -3.848 4.599
129 H TYR 20 H TYR 20 2.874 -1.444 2.529
130 HA TYR 20 HA TYR 20 0.759 -0.889 4.573
131 HB2 TYR 20 1HB TYR 20 0.949 0.009 1.695
132 HB3 TYR 20 2HB TYR 20 -0.501 0.161 2.693
133 HD1 TYR 20 1HD TYR 20 -0.489 1.613 4.730
134 HD2 TYR 20 2HD TYR 20 2.872 1.466 2.063
135 HE1 TYR 20 1HE TYR 20 0.433 3.679 5.775
136 HE2 TYR 20 2HE TYR 20 3.779 3.539 3.092
137 HH TYR 20 HH TYR 20 3.435 5.211 4.645
138 H SER 21 H SER 21 -0.948 -2.251 4.642
139 HA SER 21 HA SER 21 -0.551 -4.869 3.712
140 HB2 SER 21 1HB SER 21 -3.236 -3.654 4.447
141 HB3 SER 21 2HB SER 21 -2.707 -5.339 4.649
142 HG SER 21 HG SER 21 -2.430 -4.394 6.615
143 H ASN 22 H ASN 22 -2.958 -2.479 2.527
144 HA ASN 22 HA ASN 22 -2.849 -3.897 -0.081
145 HB2 ASN 22 1HB ASN 22 -5.073 -2.849 -0.593
146 HB3 ASN 22 2HB ASN 22 -5.074 -4.127 0.617
147 HD21 ASN 22 2HD2 ASN 22 -6.909 -3.508 1.670
148 HD22 ASN 22 1HD2 ASN 22 -7.009 -2.022 2.582
149 H LEU 23 H LEU 23 -3.165 -2.410 -1.958
150 HA LEU 23 HA LEU 23 -1.373 -0.175 -1.883
151 HB2 LEU 23 1HB LEU 23 -1.962 -1.548 -3.885
152 HB3 LEU 23 2HB LEU 23 -3.573 -0.841 -3.864
153 HG LEU 23 HG LEU 23 -2.555 1.400 -4.307
154 HD11 LEU 23 1HD1 LEU 23 -0.267 0.965 -3.437
155 HD12 LEU 23 2HD1 LEU 23 -0.244 1.539 -5.113
156 HD13 LEU 23 3HD1 LEU 23 0.007 -0.186 -4.766
157 HD21 LEU 23 3HD2 LEU 23 -1.885 -0.793 -6.307
158 HD22 LEU 23 1HD2 LEU 23 -2.081 0.937 -6.672
159 HD23 LEU 23 2HD2 LEU 23 -3.471 -0.008 -6.104
160 H CYS 24 H CYS 24 -4.772 -0.508 -1.105
161 HA CYS 24 HA CYS 24 -5.612 2.185 -1.524
162 HB2 CYS 24 1HB CYS 24 -7.217 0.437 -1.097
163 HB3 CYS 24 2HB CYS 24 -6.491 0.066 0.454
164 H TRP 25 H TRP 25 -4.315 0.591 1.462
165 HA TRP 25 HA TRP 25 -4.297 3.023 2.973
166 HB2 TRP 25 1HB TRP 25 -2.705 0.457 3.261
167 HB3 TRP 25 2HB TRP 25 -2.582 1.815 4.386
168 HD1 TRP 25 HD TRP 25 -4.464 -1.287 3.986
169 HE1 TRP 25 1HE TRP 25 -6.513 -1.406 5.489
170 HE3 TRP 25 3HE TRP 25 -4.621 3.640 5.321
171 HZ2 TRP 25 2HZ TRP 25 -8.066 0.416 7.038
172 HZ3 TRP 25 3HZ TRP 25 -6.458 4.414 6.836
173 HH2 TRP 25 HH TRP 25 -8.169 2.802 7.672
174 H LEU 26 H LEU 26 -1.958 1.666 0.678
175 HA LEU 26 HA LEU 26 0.215 3.429 1.351
176 HB2 LEU 26 1HB LEU 26 0.429 1.415 -0.032
177 HB3 LEU 26 2HB LEU 26 -0.581 2.108 -1.263
178 HG LEU 26 HG LEU 26 1.857 1.915 -1.759
179 HD11 LEU 26 1HD1 LEU 26 1.966 3.919 -3.060
180 HD12 LEU 26 2HD1 LEU 26 0.777 4.730 -2.030
181 HD13 LEU 26 3HD1 LEU 26 0.283 3.358 -3.048
182 HD21 LEU 26 3HD2 LEU 26 3.343 3.682 -1.000
183 HD22 LEU 26 1HD2 LEU 26 2.773 2.664 0.336
184 HD23 LEU 26 2HD2 LEU 26 2.077 4.281 0.092
185 H ASN 27 H ASN 27 -2.489 3.656 -0.984
186 HA ASN 27 HA ASN 27 -1.778 6.229 -2.010
187 HB2 ASN 27 1HB ASN 27 -3.475 4.412 -2.854
188 HB3 ASN 27 2HB ASN 27 -4.633 5.230 -1.798
189 HD21 ASN 27 2HD2 ASN 27 -3.856 7.917 -2.163
190 HD22 ASN 27 1HD2 ASN 27 -4.179 8.341 -3.829
191 H GLU 28 H GLU 28 -3.924 5.210 0.682
192 HA GLU 28 HA GLU 28 -4.919 7.834 1.267
193 HB2 GLU 28 1HB GLU 28 -4.628 5.317 2.929
194 HB3 GLU 28 2HB GLU 28 -5.382 6.789 3.550
195 HG2 GLU 28 1HG GLU 28 -7.099 6.702 1.823
196 HG3 GLU 28 2HG GLU 28 -6.336 5.287 1.091
197 H ALA 29 H ALA 29 -1.984 6.112 2.291
198 HA ALA 29 HA ALA 29 -1.316 8.116 4.299
199 HB1 ALA 29 3HB ALA 29 0.830 6.869 4.398
200 HB2 ALA 29 1HB ALA 29 -0.593 5.815 4.565
201 HB3 ALA 29 2HB ALA 29 0.287 5.874 3.024
202 H GLY 30 H GLY 30 -1.103 8.021 0.882
203 HA2 GLY 30 1HA GLY 30 -0.328 9.654 -0.537
204 HA3 GLY 30 2HA GLY 30 0.160 10.600 0.872
205 H VAL 31 H VAL 31 1.502 7.389 0.570
206 HA VAL 31 HA VAL 31 4.141 8.635 0.103
207 HB VAL 31 HB VAL 31 3.873 5.665 0.380
208 HG11 VAL 31 1HG1 VAL 31 6.070 6.733 0.166
209 HG12 VAL 31 2HG1 VAL 31 5.745 7.719 1.613
210 HG13 VAL 31 3HG1 VAL 31 5.900 5.951 1.750
211 HG21 VAL 31 3HG2 VAL 31 3.260 7.570 2.657
212 HG22 VAL 31 1HG2 VAL 31 2.290 6.196 2.057
213 HG23 VAL 31 2HG2 VAL 31 3.815 5.898 2.900
214 H GLY 32 H GLY 32 5.336 8.207 -1.715
215 HA2 GLY 32 1HA GLY 32 3.950 7.243 -4.064
216 HA3 GLY 32 2HA GLY 32 5.696 7.583 -3.938
217 H LEU 33 H LEU 33 4.211 5.233 -5.099
218 HA LEU 33 HA LEU 33 4.775 2.950 -3.374
219 HB2 LEU 33 1HB LEU 33 3.038 2.936 -5.144
220 HB3 LEU 33 2HB LEU 33 4.270 3.252 -6.357
221 HG LEU 33 HG LEU 33 5.268 1.018 -5.897
222 HD11 LEU 33 1HD1 LEU 33 2.802 0.700 -4.151
223 HD12 LEU 33 2HD1 LEU 33 4.502 0.623 -3.627
224 HD13 LEU 33 3HD1 LEU 33 3.845 -0.633 -4.692
225 HD21 LEU 33 3HD2 LEU 33 3.519 -0.217 -7.080
226 HD22 LEU 33 1HD2 LEU 33 3.675 1.423 -7.737
227 HD23 LEU 33 2HD2 LEU 33 2.321 1.022 -6.649
228 H ASP 34 H ASP 34 6.640 1.602 -3.477
229 HA ASP 34 HA ASP 34 8.732 2.495 -5.442
230 HB2 ASP 34 1HB ASP 34 9.077 2.929 -2.893
231 HB3 ASP 34 2HB ASP 34 9.376 1.199 -2.780
232 H HIS 35 H HIS 35 7.887 -0.257 -3.266
233 HA HIS 35 HA HIS 35 8.353 -2.068 -5.605
234 HB2 HIS 35 1HB HIS 35 8.298 -3.307 -2.923
235 HB3 HIS 35 2HB HIS 35 9.329 -3.654 -4.314
236 HD1 HIS 35 1HD HIS 35 9.815 -2.805 -1.008
237 HD2 HIS 35 2HD HIS 35 11.099 -0.950 -4.528
238 HE1 HIS 35 1HE HIS 35 11.781 -1.330 -0.377
239 H GLU 36 H GLU 36 6.908 -3.790 -5.973
240 HA GLU 36 HA GLU 36 4.346 -3.734 -4.442
241 HB2 GLU 36 1HB GLU 36 5.409 -5.455 -6.727
242 HB3 GLU 36 2HB GLU 36 3.913 -5.819 -5.863
243 HG2 GLU 36 1HG GLU 36 4.447 -3.260 -7.405
244 HG3 GLU 36 2HG GLU 36 3.550 -4.650 -8.019
245 H GLY 37 H GLY 37 4.000 -5.545 -2.949
246 HA2 GLY 37 1HA GLY 37 4.793 -7.518 -1.841
247 HA3 GLY 37 2HA GLY 37 6.441 -7.176 -2.396
248 H GLU 38 H GLU 38 5.585 -7.702 0.311
249 HA GLU 38 HA GLU 38 5.462 -5.121 1.683
250 HB2 GLU 38 1HB GLU 38 5.746 -6.816 3.710
251 HB3 GLU 38 2HB GLU 38 4.208 -6.580 2.884
252 HG2 GLU 38 1HG GLU 38 4.460 -8.612 1.608
253 HG3 GLU 38 2HG GLU 38 6.100 -8.854 2.231
254 H CYS 39 H CYS 39 6.920 -4.329 3.196
255 HA CYS 39 HA CYS 39 9.725 -5.380 3.059
256 HB2 CYS 39 1HB CYS 39 8.603 -2.627 3.756
257 HB3 CYS 39 2HB CYS 39 10.277 -3.102 4.035
258 H LEU 40 H LEU 40 10.739 -4.608 5.380
259 HA LEU 40 HA LEU 40 8.817 -5.151 7.577
260 HB2 LEU 40 1HB LEU 40 9.990 -7.293 7.064
261 HB3 LEU 40 2HB LEU 40 11.539 -6.459 7.171
262 HG LEU 40 HG LEU 40 11.167 -6.041 9.573
263 HD11 LEU 40 1HD1 LEU 40 9.330 -7.279 10.732
264 HD12 LEU 40 2HD1 LEU 40 8.625 -7.664 9.143
265 HD13 LEU 40 3HD1 LEU 40 8.742 -5.973 9.690
266 HD21 LEU 40 3HD2 LEU 40 10.839 -8.947 8.729
267 HD22 LEU 40 1HD2 LEU 40 11.471 -8.372 10.289
268 HD23 LEU 40 2HD2 LEU 40 12.369 -8.042 8.795
Start of MODEL 6
1 H1 GLU 1 1H GLU 1 -7.391 8.054 -3.420
2 H2 GLU 1 2H GLU 1 -7.944 7.111 -2.189
3 H3 GLU 1 3H GLU 1 -8.777 7.174 -3.613
4 HA GLU 1 HA GLU 1 -8.412 9.399 -1.706
5 HB2 GLU 1 1HB GLU 1 -9.833 9.223 -4.378
6 HB3 GLU 1 2HB GLU 1 -10.216 10.466 -3.179
7 HG2 GLU 1 1HG GLU 1 -7.871 11.256 -3.252
8 HG3 GLU 1 2HG GLU 1 -7.516 10.052 -4.503
9 H ALA 2 H ALA 2 -11.326 8.157 -3.425
10 HA ALA 2 HA ALA 2 -12.859 8.308 -1.016
11 HB1 ALA 2 3HB ALA 2 -14.628 7.222 -2.360
12 HB2 ALA 2 1HB ALA 2 -13.844 8.519 -3.287
13 HB3 ALA 2 2HB ALA 2 -13.440 6.815 -3.620
14 H ALA 3 H ALA 3 -13.615 6.721 0.356
15 HA ALA 3 HA ALA 3 -11.893 4.405 0.711
16 HB1 ALA 3 3HB ALA 3 -13.211 4.064 2.763
17 HB2 ALA 3 1HB ALA 3 -12.709 5.763 2.620
18 HB3 ALA 3 2HB ALA 3 -14.385 5.294 2.238
19 H VAL 4 H VAL 4 -12.945 3.941 -1.691
20 HA VAL 4 HA VAL 4 -15.243 2.057 -1.309
21 HB VAL 4 HB VAL 4 -15.512 2.208 -3.784
22 HG11 VAL 4 1HG1 VAL 4 -16.416 4.493 -3.860
23 HG12 VAL 4 2HG1 VAL 4 -16.770 3.742 -2.289
24 HG13 VAL 4 3HG1 VAL 4 -15.466 4.943 -2.425
25 HG21 VAL 4 3HG2 VAL 4 -14.284 3.905 -5.085
26 HG22 VAL 4 1HG2 VAL 4 -13.316 4.335 -3.660
27 HG23 VAL 4 2HG2 VAL 4 -13.158 2.722 -4.398
28 H CYS 5 H CYS 5 -11.981 2.046 -1.266
29 HA CYS 5 HA CYS 5 -11.483 -0.206 -3.067
30 HB2 CYS 5 1HB CYS 5 -9.818 1.592 -2.593
31 HB3 CYS 5 2HB CYS 5 -9.755 1.060 -0.907
32 H THR 6 H THR 6 -11.249 -2.339 -2.484
33 HA THR 6 HA THR 6 -12.504 -3.156 0.003
34 HB THR 6 HB THR 6 -12.043 -5.449 -0.938
35 HG1 THR 6 1HG THR 6 -11.247 -5.390 -3.160
36 HG21 THR 6 1HG2 THR 6 -13.568 -5.280 -2.825
37 HG22 THR 6 2HG2 THR 6 -13.256 -3.536 -2.972
38 HG23 THR 6 3HG2 THR 6 -14.114 -4.171 -1.548
39 H THR 7 H THR 7 -11.500 -4.918 1.328
40 HA THR 7 HA THR 7 -8.826 -4.102 2.179
41 HB THR 7 HB THR 7 -9.274 -5.876 3.966
42 HG1 THR 7 1HG THR 7 -11.262 -6.851 3.935
43 HG21 THR 7 1HG2 THR 7 -9.895 -3.472 4.286
44 HG22 THR 7 2HG2 THR 7 -10.998 -4.589 5.117
45 HG23 THR 7 3HG2 THR 7 -11.498 -3.821 3.595
46 H GLU 8 H GLU 8 -9.181 -5.494 -0.445
47 HA GLU 8 HA GLU 8 -8.241 -8.191 -0.247
48 HB2 GLU 8 1HB GLU 8 -8.152 -6.099 -2.431
49 HB3 GLU 8 2HB GLU 8 -7.402 -7.690 -2.639
50 HG2 GLU 8 1HG GLU 8 -9.519 -8.803 -2.289
51 HG3 GLU 8 2HG GLU 8 -10.306 -7.268 -1.914
52 H TRP 9 H TRP 9 -6.335 -9.030 0.110
53 HA TRP 9 HA TRP 9 -4.149 -7.438 1.054
54 HB2 TRP 9 1HB TRP 9 -4.611 -9.737 1.813
55 HB3 TRP 9 2HB TRP 9 -4.284 -10.353 0.191
56 HD1 TRP 9 HD TRP 9 -1.922 -11.348 -0.032
57 HE1 TRP 9 1HE TRP 9 0.344 -11.109 1.067
58 HE3 TRP 9 3HE TRP 9 -3.079 -7.480 3.111
59 HZ2 TRP 9 2HZ TRP 9 1.549 -9.421 3.011
60 HZ3 TRP 9 3HZ TRP 9 -1.262 -6.547 4.546
61 HH2 TRP 9 HH TRP 9 1.028 -7.524 4.507
62 H ASP 10 H ASP 10 -3.149 -6.087 -0.294
63 HA ASP 10 HA ASP 10 -1.845 -7.225 -2.705
64 HB2 ASP 10 1HB ASP 10 -3.865 -5.996 -3.468
65 HB3 ASP 10 2HB ASP 10 -3.347 -4.586 -2.547
66 HA PRO 11 HA PRO 11 0.543 -4.841 0.411
67 HB2 PRO 11 1HB PRO 11 2.798 -6.421 0.587
68 HB3 PRO 11 2HB PRO 11 1.301 -6.699 1.528
69 HG2 PRO 11 1HG PRO 11 2.164 -8.003 -1.037
70 HG3 PRO 11 2HG PRO 11 1.557 -8.749 0.453
71 HD2 PRO 11 1HD PRO 11 -0.069 -8.316 -1.635
72 HD3 PRO 11 2HD PRO 11 -0.641 -8.042 0.055
73 H VAL 12 H VAL 12 1.887 -3.254 0.102
74 HA VAL 12 HA VAL 12 3.854 -3.340 -2.119
75 HB VAL 12 HB VAL 12 3.187 -1.006 -2.761
76 HG11 VAL 12 1HG1 VAL 12 1.317 -1.617 -4.196
77 HG12 VAL 12 2HG1 VAL 12 2.445 -2.982 -4.097
78 HG13 VAL 12 3HG1 VAL 12 0.932 -3.010 -3.166
79 HG21 VAL 12 3HG2 VAL 12 1.946 -0.436 -0.680
80 HG22 VAL 12 1HG2 VAL 12 1.012 -0.113 -2.147
81 HG23 VAL 12 2HG2 VAL 12 0.650 -1.553 -1.169
82 H CYS 13 H CYS 13 5.449 -1.546 -1.793
83 HA CYS 13 HA CYS 13 5.537 -0.699 1.078
84 HB2 CYS 13 1HB CYS 13 7.033 -2.637 0.568
85 HB3 CYS 13 2HB CYS 13 7.839 -1.630 -0.634
86 H GLY 14 H GLY 14 5.799 1.408 1.363
87 HA2 GLY 14 1HA GLY 14 6.108 3.107 -1.003
88 HA3 GLY 14 2HA GLY 14 5.848 3.639 0.663
89 H LYS 15 H LYS 15 7.542 5.130 -0.711
90 HA LYS 15 HA LYS 15 10.305 4.293 -0.627
91 HB2 LYS 15 1HB LYS 15 8.993 7.034 -0.644
92 HB3 LYS 15 2HB LYS 15 10.744 6.783 -0.722
93 HG2 LYS 15 1HG LYS 15 10.429 5.427 -2.779
94 HG3 LYS 15 2HG LYS 15 8.710 5.791 -2.743
95 HD2 LYS 15 1HD LYS 15 9.214 8.198 -2.934
96 HD3 LYS 15 2HD LYS 15 10.951 7.817 -2.976
97 HE2 LYS 15 1HE LYS 15 10.571 6.418 -5.006
98 HE3 LYS 15 2HE LYS 15 8.858 6.880 -4.987
99 HZ1 LYS 15 3HZ LYS 15 10.135 8.254 -6.511
100 HZ2 LYS 15 1HZ LYS 15 11.142 8.751 -5.303
101 HZ3 LYS 15 2HZ LYS 15 9.552 9.190 -5.284
102 H ASP 16 H ASP 16 8.134 5.265 1.843
103 HA ASP 16 HA ASP 16 10.167 6.113 3.756
104 HB2 ASP 16 1HB ASP 16 7.740 6.862 3.702
105 HB3 ASP 16 2HB ASP 16 7.293 5.232 4.230
106 H GLY 17 H GLY 17 9.555 3.147 2.383
107 HA2 GLY 17 1HA GLY 17 10.356 1.073 2.993
108 HA3 GLY 17 2HA GLY 17 10.967 1.772 4.498
109 H LYS 18 H LYS 18 7.609 2.301 3.861
110 HA LYS 18 HA LYS 18 6.994 0.305 5.988
111 HB2 LYS 18 1HB LYS 18 5.289 2.648 5.090
112 HB3 LYS 18 2HB LYS 18 5.048 1.633 6.512
113 HG2 LYS 18 1HG LYS 18 7.310 3.612 6.051
114 HG3 LYS 18 2HG LYS 18 5.939 3.816 7.144
115 HD2 LYS 18 1HD LYS 18 6.764 1.792 8.424
116 HD3 LYS 18 2HD LYS 18 8.217 1.812 7.406
117 HE2 LYS 18 1HE LYS 18 7.272 4.050 9.248
118 HE3 LYS 18 2HE LYS 18 8.631 2.952 9.542
119 HZ1 LYS 18 3HZ LYS 18 9.567 4.918 8.714
120 HZ2 LYS 18 1HZ LYS 18 8.438 5.108 7.531
121 HZ3 LYS 18 2HZ LYS 18 9.574 3.922 7.395
122 H THR 19 H THR 19 5.559 -1.278 5.692
123 HA THR 19 HA THR 19 4.611 -1.833 2.975
124 HB THR 19 HB THR 19 4.220 -3.330 5.621
125 HG1 THR 19 1HG THR 19 6.211 -3.896 5.140
126 HG21 THR 19 1HG2 THR 19 3.562 -4.141 2.756
127 HG22 THR 19 2HG2 THR 19 2.407 -3.926 4.096
128 HG23 THR 19 3HG2 THR 19 3.586 -5.247 4.149
129 H TYR 20 H TYR 20 2.601 -1.520 2.225
130 HA TYR 20 HA TYR 20 0.478 -0.717 4.187
131 HB2 TYR 20 1HB TYR 20 0.941 0.118 1.309
132 HB3 TYR 20 2HB TYR 20 -0.575 0.401 2.179
133 HD1 TYR 20 2HD TYR 20 3.046 1.273 2.058
134 HD2 TYR 20 1HD TYR 20 -0.745 2.074 3.920
135 HE1 TYR 20 2HE TYR 20 4.004 3.306 3.138
136 HE2 TYR 20 1HE TYR 20 0.223 4.106 5.000
137 HH TYR 20 HH TYR 20 2.104 5.383 5.317
138 H SER 21 H SER 21 -1.399 -1.889 4.102
139 HA SER 21 HA SER 21 -1.139 -4.563 3.261
140 HB2 SER 21 1HB SER 21 -3.680 -4.592 3.711
141 HB3 SER 21 2HB SER 21 -2.604 -4.128 5.046
142 HG SER 21 HG SER 21 -4.270 -2.641 4.924
143 H ASN 22 H ASN 22 -3.293 -2.042 1.856
144 HA ASN 22 HA ASN 22 -2.979 -3.491 -0.719
145 HB2 ASN 22 1HB ASN 22 -5.074 -2.490 -1.525
146 HB3 ASN 22 2HB ASN 22 -5.306 -3.588 -0.168
147 HD21 ASN 22 2HD2 ASN 22 -7.333 -2.613 0.248
148 HD22 ASN 22 1HD2 ASN 22 -7.399 -1.063 1.052
149 H LEU 23 H LEU 23 -2.966 -2.063 -2.654
150 HA LEU 23 HA LEU 23 -1.072 0.064 -2.439
151 HB2 LEU 23 1HB LEU 23 -1.498 -1.266 -4.475
152 HB3 LEU 23 2HB LEU 23 -3.110 -0.575 -4.592
153 HG LEU 23 HG LEU 23 -2.135 1.653 -5.035
154 HD11 LEU 23 1HD1 LEU 23 0.540 0.198 -5.105
155 HD12 LEU 23 2HD1 LEU 23 0.047 1.406 -3.897
156 HD13 LEU 23 3HD1 LEU 23 0.250 1.882 -5.591
157 HD21 LEU 23 3HD2 LEU 23 -2.764 0.147 -6.868
158 HD22 LEU 23 1HD2 LEU 23 -1.140 -0.578 -6.849
159 HD23 LEU 23 2HD2 LEU 23 -1.354 1.127 -7.312
160 H CYS 24 H CYS 24 -4.565 -0.011 -2.077
161 HA CYS 24 HA CYS 24 -5.068 2.739 -2.605
162 HB2 CYS 24 1HB CYS 24 -6.520 0.832 -0.749
163 HB3 CYS 24 2HB CYS 24 -7.148 2.371 -1.349
164 H TRP 25 H TRP 25 -4.170 1.064 0.486
165 HA TRP 25 HA TRP 25 -4.372 3.529 1.990
166 HB2 TRP 25 1HB TRP 25 -2.958 0.911 2.577
167 HB3 TRP 25 2HB TRP 25 -2.998 2.288 3.692
168 HD1 TRP 25 HD TRP 25 -4.818 -0.794 3.148
169 HE1 TRP 25 1HE TRP 25 -7.158 -0.793 4.141
170 HE3 TRP 25 3HE TRP 25 -5.234 4.239 3.950
171 HZ2 TRP 25 2HZ TRP 25 -9.009 1.144 5.121
172 HZ3 TRP 25 3HZ TRP 25 -7.361 5.124 4.935
173 HH2 TRP 25 HH TRP 25 -9.227 3.573 5.508
174 H LEU 26 H LEU 26 -1.815 2.035 0.055
175 HA LEU 26 HA LEU 26 0.302 3.770 0.955
176 HB2 LEU 26 1HB LEU 26 0.630 1.731 -0.391
177 HB3 LEU 26 2HB LEU 26 -0.184 2.463 -1.742
178 HG LEU 26 HG LEU 26 2.320 2.212 -1.857
179 HD11 LEU 26 1HD1 LEU 26 0.966 3.626 -3.403
180 HD12 LEU 26 2HD1 LEU 26 2.627 4.205 -3.160
181 HD13 LEU 26 3HD1 LEU 26 1.283 5.020 -2.343
182 HD21 LEU 26 3HD2 LEU 26 2.290 4.658 -0.082
183 HD22 LEU 26 1HD2 LEU 26 3.694 3.961 -0.910
184 HD23 LEU 26 2HD2 LEU 26 2.877 3.041 0.366
185 H ASN 27 H ASN 27 -2.215 4.036 -1.586
186 HA ASN 27 HA ASN 27 -1.422 6.618 -2.542
187 HB2 ASN 27 1HB ASN 27 -2.985 5.161 -3.777
188 HB3 ASN 27 2HB ASN 27 -4.174 5.318 -2.483
189 HD21 ASN 27 2HD2 ASN 27 -2.132 7.586 -4.348
190 HD22 ASN 27 1HD2 ASN 27 -3.442 8.664 -4.752
191 H GLU 28 H GLU 28 -3.678 5.665 0.099
192 HA GLU 28 HA GLU 28 -4.588 8.333 0.617
193 HB2 GLU 28 1HB GLU 28 -4.318 5.969 2.519
194 HB3 GLU 28 2HB GLU 28 -5.136 7.483 2.901
195 HG2 GLU 28 1HG GLU 28 -5.959 5.423 0.856
196 HG3 GLU 28 2HG GLU 28 -6.810 5.882 2.327
197 H ALA 29 H ALA 29 -1.735 6.539 1.754
198 HA ALA 29 HA ALA 29 -1.040 8.574 3.711
199 HB1 ALA 29 3HB ALA 29 1.060 7.254 3.891
200 HB2 ALA 29 1HB ALA 29 -0.406 6.259 4.053
201 HB3 ALA 29 2HB ALA 29 0.510 6.243 2.529
202 H GLY 30 H GLY 30 -0.604 8.248 0.291
203 HA2 GLY 30 1HA GLY 30 0.233 9.821 -1.167
204 HA3 GLY 30 2HA GLY 30 0.670 10.837 0.208
205 H VAL 31 H VAL 31 2.079 7.791 0.613
206 HA VAL 31 HA VAL 31 4.699 8.874 0.102
207 HB VAL 31 HB VAL 31 4.340 5.908 0.385
208 HG11 VAL 31 1HG1 VAL 31 6.157 7.924 1.760
209 HG12 VAL 31 2HG1 VAL 31 6.264 6.156 1.887
210 HG13 VAL 31 3HG1 VAL 31 6.573 6.949 0.329
211 HG21 VAL 31 3HG2 VAL 31 2.653 6.505 1.938
212 HG22 VAL 31 1HG2 VAL 31 4.101 6.175 2.895
213 HG23 VAL 31 2HG2 VAL 31 3.615 7.859 2.593
214 H GLY 32 H GLY 32 5.989 8.456 -1.595
215 HA2 GLY 32 1HA GLY 32 4.822 7.546 -4.068
216 HA3 GLY 32 2HA GLY 32 6.558 7.828 -3.775
217 H LEU 33 H LEU 33 5.111 5.533 -5.106
218 HA LEU 33 HA LEU 33 5.383 3.245 -3.344
219 HB2 LEU 33 1HB LEU 33 3.899 3.336 -5.353
220 HB3 LEU 33 2HB LEU 33 5.323 3.474 -6.378
221 HG LEU 33 HG LEU 33 6.034 1.195 -5.657
222 HD11 LEU 33 1HD1 LEU 33 3.320 1.174 -4.282
223 HD12 LEU 33 2HD1 LEU 33 4.910 1.052 -3.492
224 HD13 LEU 33 3HD1 LEU 33 4.352 -0.249 -4.552
225 HD21 LEU 33 3HD2 LEU 33 4.340 0.002 -6.979
226 HD22 LEU 33 1HD2 LEU 33 4.758 1.553 -7.733
227 HD23 LEU 33 2HD2 LEU 33 3.231 1.386 -6.831
228 H ASP 34 H ASP 34 7.155 1.819 -3.167
229 HA ASP 34 HA ASP 34 9.542 2.534 -4.833
230 HB2 ASP 34 1HB ASP 34 9.782 3.182 -2.409
231 HB3 ASP 34 2HB ASP 34 9.649 1.475 -1.986
232 H HIS 35 H HIS 35 8.225 -0.099 -2.712
233 HA HIS 35 HA HIS 35 9.231 -1.992 -4.789
234 HB2 HIS 35 1HB HIS 35 8.681 -2.815 -1.967
235 HB3 HIS 35 2HB HIS 35 9.673 -3.611 -3.184
236 HD1 HIS 35 1HD HIS 35 11.979 -2.153 -3.850
237 HD2 HIS 35 2HD HIS 35 10.082 -1.235 -0.255
238 HE1 HIS 35 1HE HIS 35 13.650 -0.831 -2.459
239 H GLU 36 H GLU 36 7.895 -3.811 -5.309
240 HA GLU 36 HA GLU 36 5.016 -3.484 -4.542
241 HB2 GLU 36 1HB GLU 36 6.399 -5.123 -6.713
242 HB3 GLU 36 2HB GLU 36 4.685 -5.271 -6.299
243 HG2 GLU 36 1HG GLU 36 4.324 -2.913 -6.920
244 HG3 GLU 36 2HG GLU 36 6.036 -2.758 -7.338
245 H GLY 37 H GLY 37 4.141 -5.245 -3.318
246 HA2 GLY 37 1HA GLY 37 4.314 -7.288 -2.143
247 HA3 GLY 37 2HA GLY 37 6.059 -7.351 -2.479
248 H GLU 38 H GLU 38 5.324 -7.800 0.056
249 HA GLU 38 HA GLU 38 5.237 -5.337 1.630
250 HB2 GLU 38 1HB GLU 38 5.719 -7.132 3.501
251 HB3 GLU 38 2HB GLU 38 4.124 -7.003 2.758
252 HG2 GLU 38 1HG GLU 38 4.498 -8.926 1.383
253 HG3 GLU 38 2HG GLU 38 6.210 -8.983 1.824
254 H CYS 39 H CYS 39 6.880 -4.913 3.322
255 HA CYS 39 HA CYS 39 9.626 -5.815 2.638
256 HB2 CYS 39 1HB CYS 39 10.408 -3.468 2.693
257 HB3 CYS 39 2HB CYS 39 9.267 -3.740 1.365
258 H LEU 40 H LEU 40 11.157 -4.945 4.367
259 HA LEU 40 HA LEU 40 9.996 -4.309 6.974
260 HB2 LEU 40 1HB LEU 40 9.894 -6.827 6.865
261 HB3 LEU 40 2HB LEU 40 11.601 -6.852 6.439
262 HG LEU 40 HG LEU 40 12.180 -5.944 8.662
263 HD11 LEU 40 1HD1 LEU 40 9.184 -6.161 9.170
264 HD12 LEU 40 2HD1 LEU 40 10.178 -4.684 9.205
265 HD13 LEU 40 3HD1 LEU 40 10.417 -5.935 10.436
266 HD21 LEU 40 3HD2 LEU 40 10.395 -8.409 8.717
267 HD22 LEU 40 1HD2 LEU 40 11.641 -7.989 9.917
268 HD23 LEU 40 2HD2 LEU 40 12.112 -8.367 8.249
Start of MODEL 7
1 H1 GLU 1 1H GLU 1 -21.617 7.927 -2.146
2 H2 GLU 1 2H GLU 1 -20.148 8.427 -2.701
3 H3 GLU 1 3H GLU 1 -21.262 7.827 -3.755
4 HA GLU 1 HA GLU 1 -21.147 5.658 -2.759
5 HB2 GLU 1 1HB GLU 1 -19.081 4.973 -3.642
6 HB3 GLU 1 2HB GLU 1 -19.577 6.340 -4.629
7 HG2 GLU 1 1HG GLU 1 -17.493 6.493 -2.385
8 HG3 GLU 1 2HG GLU 1 -17.115 6.256 -4.092
9 H ALA 2 H ALA 2 -20.382 4.267 -1.099
10 HA ALA 2 HA ALA 2 -19.856 5.691 1.377
11 HB1 ALA 2 3HB ALA 2 -19.972 2.699 0.774
12 HB2 ALA 2 1HB ALA 2 -19.975 3.443 2.390
13 HB3 ALA 2 2HB ALA 2 -21.343 3.718 1.287
14 H ALA 3 H ALA 3 -17.926 3.784 -0.899
15 HA ALA 3 HA ALA 3 -15.454 4.647 0.433
16 HB1 ALA 3 3HB ALA 3 -14.572 2.323 0.575
17 HB2 ALA 3 1HB ALA 3 -16.010 2.501 1.603
18 HB3 ALA 3 2HB ALA 3 -16.139 1.684 0.026
19 H VAL 4 H VAL 4 -13.589 3.895 -1.046
20 HA VAL 4 HA VAL 4 -14.540 3.674 -3.865
21 HB VAL 4 HB VAL 4 -12.630 5.130 -4.559
22 HG11 VAL 4 1HG1 VAL 4 -14.876 6.093 -4.245
23 HG12 VAL 4 2HG1 VAL 4 -14.493 6.452 -2.541
24 HG13 VAL 4 3HG1 VAL 4 -13.604 7.268 -3.851
25 HG21 VAL 4 3HG2 VAL 4 -12.275 5.658 -1.560
26 HG22 VAL 4 1HG2 VAL 4 -11.128 4.782 -2.607
27 HG23 VAL 4 2HG2 VAL 4 -11.438 6.503 -2.878
28 H CYS 5 H CYS 5 -12.336 2.504 -1.470
29 HA CYS 5 HA CYS 5 -10.843 1.017 -3.576
30 HB2 CYS 5 1HB CYS 5 -9.802 2.721 -1.754
31 HB3 CYS 5 2HB CYS 5 -9.718 1.207 -0.841
32 H THR 6 H THR 6 -10.126 -1.192 -3.007
33 HA THR 6 HA THR 6 -12.251 -2.620 -1.552
34 HB THR 6 HB THR 6 -11.188 -4.588 -2.646
35 HG1 THR 6 1HG THR 6 -9.557 -4.112 -4.231
36 HG21 THR 6 1HG2 THR 6 -11.837 -4.091 -4.927
37 HG22 THR 6 2HG2 THR 6 -11.685 -2.346 -4.633
38 HG23 THR 6 3HG2 THR 6 -12.972 -3.278 -3.828
39 H THR 7 H THR 7 -11.528 -4.605 -0.307
40 HA THR 7 HA THR 7 -9.268 -3.879 1.474
41 HB THR 7 HB THR 7 -10.313 -5.654 2.959
42 HG1 THR 7 1HG THR 7 -12.272 -6.496 2.309
43 HG21 THR 7 1HG2 THR 7 -12.237 -4.320 3.624
44 HG22 THR 7 2HG2 THR 7 -12.264 -3.493 2.052
45 HG23 THR 7 3HG2 THR 7 -10.911 -3.227 3.178
46 H GLU 8 H GLU 8 -9.062 -5.142 -1.240
47 HA GLU 8 HA GLU 8 -8.348 -7.913 -0.903
48 HB2 GLU 8 1HB GLU 8 -7.729 -5.839 -3.023
49 HB3 GLU 8 2HB GLU 8 -7.156 -7.510 -3.134
50 HG2 GLU 8 1HG GLU 8 -9.362 -8.373 -3.259
51 HG3 GLU 8 2HG GLU 8 -10.072 -6.833 -2.768
52 H TRP 9 H TRP 9 -6.543 -8.842 -0.212
53 HA TRP 9 HA TRP 9 -4.400 -7.353 0.983
54 HB2 TRP 9 1HB TRP 9 -4.903 -9.607 1.721
55 HB3 TRP 9 2HB TRP 9 -4.641 -10.252 0.098
56 HD1 TRP 9 HD TRP 9 -2.279 -11.236 -0.333
57 HE1 TRP 9 1HE TRP 9 -0.009 -11.224 0.780
58 HE3 TRP 9 3HE TRP 9 -3.280 -7.721 3.250
59 HZ2 TRP 9 2HZ TRP 9 1.271 -9.811 2.889
60 HZ3 TRP 9 3HZ TRP 9 -1.425 -7.043 4.784
61 HH2 TRP 9 HH TRP 9 0.826 -8.086 4.604
62 H ASP 10 H ASP 10 -3.144 -6.048 -0.163
63 HA ASP 10 HA ASP 10 -1.810 -7.155 -2.584
64 HB2 ASP 10 1HB ASP 10 -3.808 -5.744 -3.235
65 HB3 ASP 10 2HB ASP 10 -3.049 -4.376 -2.428
66 HA PRO 11 HA PRO 11 0.720 -5.022 0.606
67 HB2 PRO 11 1HB PRO 11 2.913 -6.702 0.593
68 HB3 PRO 11 2HB PRO 11 1.460 -6.950 1.613
69 HG2 PRO 11 1HG PRO 11 2.106 -8.194 -1.048
70 HG3 PRO 11 2HG PRO 11 1.563 -8.966 0.454
71 HD2 PRO 11 1HD PRO 11 -0.163 -8.385 -1.523
72 HD3 PRO 11 2HD PRO 11 -0.628 -8.122 0.199
73 H VAL 12 H VAL 12 1.975 -3.403 0.210
74 HA VAL 12 HA VAL 12 3.897 -3.478 -2.056
75 HB VAL 12 HB VAL 12 3.157 -1.153 -2.714
76 HG11 VAL 12 1HG1 VAL 12 0.969 -3.256 -3.038
77 HG12 VAL 12 2HG1 VAL 12 1.236 -1.843 -4.075
78 HG13 VAL 12 3HG1 VAL 12 2.441 -3.146 -4.027
79 HG21 VAL 12 3HG2 VAL 12 0.939 -0.345 -2.060
80 HG22 VAL 12 1HG2 VAL 12 0.679 -1.774 -1.039
81 HG23 VAL 12 2HG2 VAL 12 1.937 -0.588 -0.617
82 H CYS 13 H CYS 13 5.461 -1.673 -1.802
83 HA CYS 13 HA CYS 13 5.628 -0.760 1.048
84 HB2 CYS 13 1HB CYS 13 7.097 -2.689 0.640
85 HB3 CYS 13 2HB CYS 13 7.810 -1.841 -0.726
86 H GLY 14 H GLY 14 5.836 1.356 1.238
87 HA2 GLY 14 1HA GLY 14 5.943 2.929 -1.224
88 HA3 GLY 14 2HA GLY 14 5.686 3.532 0.414
89 H LYS 15 H LYS 15 7.140 5.079 -1.116
90 HA LYS 15 HA LYS 15 9.981 4.556 -1.084
91 HB2 LYS 15 1HB LYS 15 8.351 7.110 -1.298
92 HB3 LYS 15 2HB LYS 15 10.119 7.069 -1.412
93 HG2 LYS 15 1HG LYS 15 9.957 5.498 -3.285
94 HG3 LYS 15 2HG LYS 15 8.203 5.579 -3.231
95 HD2 LYS 15 1HD LYS 15 8.298 7.985 -3.738
96 HD3 LYS 15 2HD LYS 15 10.072 7.901 -3.793
97 HE2 LYS 15 1HE LYS 15 8.185 6.294 -5.576
98 HE3 LYS 15 2HE LYS 15 9.015 7.787 -6.064
99 HZ1 LYS 15 3HZ LYS 15 10.420 5.311 -5.203
100 HZ2 LYS 15 1HZ LYS 15 11.123 6.677 -5.800
101 HZ3 LYS 15 2HZ LYS 15 10.176 5.746 -6.776
102 H ASP 16 H ASP 16 7.861 5.283 1.463
103 HA ASP 16 HA ASP 16 9.982 6.493 3.137
104 HB2 ASP 16 1HB ASP 16 7.575 7.288 3.198
105 HB3 ASP 16 2HB ASP 16 7.132 5.713 3.878
106 H GLY 17 H GLY 17 9.548 3.484 2.033
107 HA2 GLY 17 1HA GLY 17 10.550 1.547 2.780
108 HA3 GLY 17 2HA GLY 17 10.896 2.320 4.329
109 H LYS 18 H LYS 18 7.856 2.971 4.404
110 HA LYS 18 HA LYS 18 7.215 0.704 6.055
111 HB2 LYS 18 1HB LYS 18 5.592 3.085 5.101
112 HB3 LYS 18 2HB LYS 18 4.973 1.865 6.227
113 HG2 LYS 18 1HG LYS 18 6.762 2.384 7.818
114 HG3 LYS 18 2HG LYS 18 7.433 3.586 6.701
115 HD2 LYS 18 1HD LYS 18 5.431 4.949 6.876
116 HD3 LYS 18 2HD LYS 18 4.622 3.703 7.848
117 HE2 LYS 18 1HE LYS 18 5.464 5.521 9.281
118 HE3 LYS 18 2HE LYS 18 6.271 3.986 9.648
119 HZ1 LYS 18 3HZ LYS 18 7.437 6.096 7.919
120 HZ2 LYS 18 1HZ LYS 18 8.187 4.720 8.428
121 HZ3 LYS 18 2HZ LYS 18 7.802 5.895 9.519
122 H THR 19 H THR 19 5.932 -0.958 5.794
123 HA THR 19 HA THR 19 5.058 -1.721 3.094
124 HB THR 19 HB THR 19 4.840 -3.116 5.812
125 HG1 THR 19 1HG THR 19 6.708 -4.075 5.279
126 HG21 THR 19 1HG2 THR 19 4.331 -4.114 2.987
127 HG22 THR 19 2HG2 THR 19 3.158 -4.015 4.323
128 HG23 THR 19 3HG2 THR 19 4.506 -5.161 4.416
129 H TYR 20 H TYR 20 2.987 -1.596 2.388
130 HA TYR 20 HA TYR 20 0.882 -0.908 4.408
131 HB2 TYR 20 1HB TYR 20 1.157 -0.111 1.493
132 HB3 TYR 20 2HB TYR 20 -0.282 0.182 2.480
133 HD1 TYR 20 1HD TYR 20 -0.240 1.797 4.339
134 HD2 TYR 20 2HD TYR 20 3.240 1.160 1.901
135 HE1 TYR 20 1HE TYR 20 0.807 3.848 5.293
136 HE2 TYR 20 2HE TYR 20 4.281 3.217 2.855
137 HH TYR 20 HH TYR 20 2.614 5.246 5.268
138 H SER 21 H SER 21 -0.890 -2.208 4.461
139 HA SER 21 HA SER 21 -0.574 -4.844 3.534
140 HB2 SER 21 1HB SER 21 -3.213 -3.545 4.288
141 HB3 SER 21 2HB SER 21 -2.742 -5.249 4.472
142 HG SER 21 HG SER 21 -2.437 -4.308 6.448
143 H ASN 22 H ASN 22 -2.827 -2.321 2.324
144 HA ASN 22 HA ASN 22 -2.784 -3.768 -0.258
145 HB2 ASN 22 1HB ASN 22 -4.998 -2.828 -0.811
146 HB3 ASN 22 2HB ASN 22 -5.025 -3.969 0.531
147 HD21 ASN 22 2HD2 ASN 22 -7.122 -2.928 0.899
148 HD22 ASN 22 1HD2 ASN 22 -7.142 -1.484 1.881
149 H LEU 23 H LEU 23 -3.160 -2.259 -2.136
150 HA LEU 23 HA LEU 23 -1.306 -0.090 -2.132
151 HB2 LEU 23 1HB LEU 23 -2.094 -1.403 -4.112
152 HB3 LEU 23 2HB LEU 23 -3.666 -0.628 -3.965
153 HG LEU 23 HG LEU 23 -2.591 1.574 -4.446
154 HD11 LEU 23 1HD1 LEU 23 -0.127 -0.134 -4.990
155 HD12 LEU 23 2HD1 LEU 23 -0.295 1.097 -3.715
156 HD13 LEU 23 3HD1 LEU 23 -0.311 1.582 -5.419
157 HD21 LEU 23 3HD2 LEU 23 -2.253 1.117 -6.846
158 HD22 LEU 23 1HD2 LEU 23 -3.660 0.242 -6.211
159 HD23 LEU 23 2HD2 LEU 23 -2.132 -0.626 -6.501
160 H CYS 24 H CYS 24 -4.692 -0.326 -1.238
161 HA CYS 24 HA CYS 24 -5.434 2.386 -1.569
162 HB2 CYS 24 1HB CYS 24 -6.394 0.536 0.626
163 HB3 CYS 24 2HB CYS 24 -7.262 1.890 -0.093
164 H TRP 25 H TRP 25 -4.020 0.702 1.321
165 HA TRP 25 HA TRP 25 -4.044 3.139 2.866
166 HB2 TRP 25 1HB TRP 25 -2.444 0.587 3.222
167 HB3 TRP 25 2HB TRP 25 -2.485 1.925 4.379
168 HD1 TRP 25 HD TRP 25 -3.945 -1.300 4.155
169 HE1 TRP 25 1HE TRP 25 -6.202 -1.543 5.296
170 HE3 TRP 25 3HE TRP 25 -5.054 3.680 4.597
171 HZ2 TRP 25 2HZ TRP 25 -8.257 0.185 6.247
172 HZ3 TRP 25 3HZ TRP 25 -7.233 4.331 5.634
173 HH2 TRP 25 HH TRP 25 -8.812 2.585 6.459
174 H LEU 26 H LEU 26 -1.766 1.762 0.560
175 HA LEU 26 HA LEU 26 0.459 3.463 1.246
176 HB2 LEU 26 1HB LEU 26 0.614 1.459 -0.165
177 HB3 LEU 26 2HB LEU 26 -0.400 2.187 -1.372
178 HG LEU 26 HG LEU 26 2.070 1.945 -1.850
179 HD11 LEU 26 1HD1 LEU 26 2.127 3.930 -3.216
180 HD12 LEU 26 2HD1 LEU 26 0.870 4.702 -2.236
181 HD13 LEU 26 3HD1 LEU 26 0.479 3.270 -3.216
182 HD21 LEU 26 3HD2 LEU 26 2.244 4.432 -0.142
183 HD22 LEU 26 1HD2 LEU 26 3.529 3.747 -1.154
184 HD23 LEU 26 2HD2 LEU 26 2.929 2.839 0.248
185 H ASN 27 H ASN 27 -2.291 3.755 -1.025
186 HA ASN 27 HA ASN 27 -1.606 6.365 -1.992
187 HB2 ASN 27 1HB ASN 27 -3.143 4.945 -3.214
188 HB3 ASN 27 2HB ASN 27 -4.240 4.860 -1.831
189 HD21 ASN 27 2HD2 ASN 27 -2.766 7.195 -4.079
190 HD22 ASN 27 1HD2 ASN 27 -4.147 8.264 -4.099
191 H GLU 28 H GLU 28 -3.730 5.286 0.692
192 HA GLU 28 HA GLU 28 -4.707 7.887 1.365
193 HB2 GLU 28 1HB GLU 28 -4.296 5.360 2.992
194 HB3 GLU 28 2HB GLU 28 -5.052 6.808 3.660
195 HG2 GLU 28 1HG GLU 28 -6.175 5.706 1.108
196 HG3 GLU 28 2HG GLU 28 -6.473 4.813 2.608
197 H ALA 29 H ALA 29 -1.723 6.172 2.255
198 HA ALA 29 HA ALA 29 -0.980 8.165 4.248
199 HB1 ALA 29 3HB ALA 29 -0.220 5.877 4.478
200 HB2 ALA 29 1HB ALA 29 0.574 5.935 2.889
201 HB3 ALA 29 2HB ALA 29 1.186 6.938 4.228
202 H GLY 30 H GLY 30 -0.926 8.071 0.822
203 HA2 GLY 30 1HA GLY 30 -0.293 9.763 -0.606
204 HA3 GLY 30 2HA GLY 30 0.273 10.690 0.788
205 H VAL 31 H VAL 31 1.593 7.491 0.279
206 HA VAL 31 HA VAL 31 4.187 8.802 -0.340
207 HB VAL 31 HB VAL 31 4.134 5.864 0.134
208 HG11 VAL 31 1HG1 VAL 31 5.781 8.139 1.304
209 HG12 VAL 31 2HG1 VAL 31 6.104 6.400 1.487
210 HG13 VAL 31 3HG1 VAL 31 6.214 7.152 -0.116
211 HG21 VAL 31 3HG2 VAL 31 3.372 7.803 2.351
212 HG22 VAL 31 1HG2 VAL 31 2.470 6.375 1.776
213 HG23 VAL 31 2HG2 VAL 31 4.002 6.162 2.630
214 H GLY 32 H GLY 32 5.338 8.275 -2.163
215 HA2 GLY 32 1HA GLY 32 3.915 7.023 -4.356
216 HA3 GLY 32 2HA GLY 32 5.639 7.479 -4.340
217 H LEU 33 H LEU 33 4.315 4.936 -5.229
218 HA LEU 33 HA LEU 33 5.040 2.890 -3.286
219 HB2 LEU 33 1HB LEU 33 3.288 2.636 -5.034
220 HB3 LEU 33 2HB LEU 33 4.517 2.756 -6.285
221 HG LEU 33 HG LEU 33 4.901 0.585 -4.277
222 HD11 LEU 33 1HD1 LEU 33 3.247 -0.857 -5.412
223 HD12 LEU 33 2HD1 LEU 33 2.686 0.540 -6.359
224 HD13 LEU 33 3HD1 LEU 33 2.483 0.516 -4.590
225 HD21 LEU 33 3HD2 LEU 33 5.582 -0.693 -6.247
226 HD22 LEU 33 1HD2 LEU 33 6.392 0.885 -6.288
227 HD23 LEU 33 2HD2 LEU 33 4.989 0.586 -7.331
228 H ASP 34 H ASP 34 6.938 1.563 -3.336
229 HA ASP 34 HA ASP 34 8.929 2.339 -5.421
230 HB2 ASP 34 1HB ASP 34 9.368 3.205 -2.979
231 HB3 ASP 34 2HB ASP 34 9.947 1.556 -2.719
232 H HIS 35 H HIS 35 8.037 -0.189 -2.990
233 HA HIS 35 HA HIS 35 9.101 -2.136 -5.003
234 HB2 HIS 35 1HB HIS 35 8.835 -2.730 -2.063
235 HB3 HIS 35 2HB HIS 35 9.657 -3.677 -3.292
236 HD1 HIS 35 1HD HIS 35 11.869 -2.349 -4.398
237 HD2 HIS 35 2HD HIS 35 10.489 -1.054 -0.673
238 HE1 HIS 35 1HE HIS 35 13.760 -1.017 -3.344
239 H GLU 36 H GLU 36 7.859 -4.092 -5.242
240 HA GLU 36 HA GLU 36 4.994 -3.820 -4.403
241 HB2 GLU 36 1HB GLU 36 6.374 -5.606 -6.458
242 HB3 GLU 36 2HB GLU 36 4.666 -5.726 -6.014
243 HG2 GLU 36 1HG GLU 36 4.242 -3.489 -6.890
244 HG3 GLU 36 2HG GLU 36 5.965 -3.266 -7.228
245 H GLY 37 H GLY 37 4.212 -5.563 -3.061
246 HA2 GLY 37 1HA GLY 37 4.491 -7.477 -1.725
247 HA3 GLY 37 2HA GLY 37 6.205 -7.570 -2.188
248 H GLU 38 H GLU 38 5.837 -7.892 0.388
249 HA GLU 38 HA GLU 38 5.656 -5.419 1.885
250 HB2 GLU 38 1HB GLU 38 6.665 -8.168 2.701
251 HB3 GLU 38 2HB GLU 38 6.273 -6.845 3.803
252 HG2 GLU 38 1HG GLU 38 3.911 -6.928 3.010
253 HG3 GLU 38 2HG GLU 38 4.320 -8.325 2.005
254 H CYS 39 H CYS 39 7.305 -4.601 3.298
255 HA CYS 39 HA CYS 39 10.134 -5.146 2.456
256 HB2 CYS 39 1HB CYS 39 8.781 -2.652 3.565
257 HB3 CYS 39 2HB CYS 39 10.509 -2.937 3.772
258 H LEU 40 H LEU 40 11.584 -5.123 4.384
259 HA LEU 40 HA LEU 40 10.315 -5.593 7.002
260 HB2 LEU 40 1HB LEU 40 10.459 -7.842 5.872
261 HB3 LEU 40 2HB LEU 40 12.177 -7.561 5.601
262 HG LEU 40 HG LEU 40 12.569 -7.574 8.043
263 HD11 LEU 40 1HD1 LEU 40 10.749 -8.440 9.527
264 HD12 LEU 40 2HD1 LEU 40 9.599 -8.242 8.182
265 HD13 LEU 40 3HD1 LEU 40 10.418 -6.823 8.883
266 HD21 LEU 40 3HD2 LEU 40 12.790 -9.621 6.696
267 HD22 LEU 40 1HD2 LEU 40 11.072 -9.998 6.968
268 HD23 LEU 40 2HD2 LEU 40 12.214 -9.992 8.333
Start of MODEL 8
1 H1 GLU 1 1H GLU 1 -8.266 5.628 -11.338
2 H2 GLU 1 2H GLU 1 -8.877 7.064 -10.805
3 H3 GLU 1 3H GLU 1 -7.506 6.449 -10.123
4 HA GLU 1 HA GLU 1 -8.684 4.608 -9.189
5 HB2 GLU 1 1HB GLU 1 -9.674 5.722 -7.432
6 HB3 GLU 1 2HB GLU 1 -8.607 6.963 -8.074
7 HG2 GLU 1 1HG GLU 1 -11.625 6.796 -8.618
8 HG3 GLU 1 2HG GLU 1 -10.875 7.813 -7.388
9 H ALA 2 H ALA 2 -10.810 3.665 -8.663
10 HA ALA 2 HA ALA 2 -13.059 4.404 -10.446
11 HB1 ALA 2 3HB ALA 2 -13.401 1.901 -10.945
12 HB2 ALA 2 1HB ALA 2 -12.042 2.647 -11.815
13 HB3 ALA 2 2HB ALA 2 -11.725 1.629 -10.395
14 H ALA 3 H ALA 3 -12.397 1.442 -8.596
15 HA ALA 3 HA ALA 3 -14.072 2.246 -6.321
16 HB1 ALA 3 3HB ALA 3 -13.674 -0.183 -6.829
17 HB2 ALA 3 1HB ALA 3 -11.922 0.069 -6.616
18 HB3 ALA 3 2HB ALA 3 -13.023 0.251 -5.231
19 H VAL 4 H VAL 4 -12.998 2.986 -4.279
20 HA VAL 4 HA VAL 4 -10.463 4.371 -4.933
21 HB VAL 4 HB VAL 4 -11.039 5.966 -3.106
22 HG11 VAL 4 1HG1 VAL 4 -13.196 5.658 -5.247
23 HG12 VAL 4 2HG1 VAL 4 -12.808 7.143 -4.347
24 HG13 VAL 4 3HG1 VAL 4 -11.618 6.448 -5.465
25 HG21 VAL 4 3HG2 VAL 4 -13.347 5.993 -2.197
26 HG22 VAL 4 1HG2 VAL 4 -13.720 4.477 -3.040
27 HG23 VAL 4 2HG2 VAL 4 -12.511 4.506 -1.729
28 H CYS 5 H CYS 5 -11.919 2.304 -2.562
29 HA CYS 5 HA CYS 5 -9.175 1.830 -1.493
30 HB2 CYS 5 1HB CYS 5 -11.051 2.685 0.098
31 HB3 CYS 5 2HB CYS 5 -11.727 1.061 -0.062
32 H THR 6 H THR 6 -8.406 -0.326 -1.714
33 HA THR 6 HA THR 6 -10.295 -2.290 -2.894
34 HB THR 6 HB THR 6 -8.123 -3.650 -2.985
35 HG1 THR 6 1HG THR 6 -6.223 -2.280 -2.915
36 HG21 THR 6 1HG2 THR 6 -9.038 -2.463 -4.976
37 HG22 THR 6 2HG2 THR 6 -7.261 -2.514 -4.971
38 HG23 THR 6 3HG2 THR 6 -8.107 -1.020 -4.506
39 H THR 7 H THR 7 -10.710 -4.264 -1.695
40 HA THR 7 HA THR 7 -9.819 -4.183 1.125
41 HB THR 7 HB THR 7 -11.597 -5.943 1.481
42 HG1 THR 7 1HG THR 7 -12.959 -6.367 -0.240
43 HG21 THR 7 1HG2 THR 7 -13.505 -4.440 1.322
44 HG22 THR 7 2HG2 THR 7 -12.654 -3.410 0.150
45 HG23 THR 7 3HG2 THR 7 -12.086 -3.502 1.836
46 H GLU 8 H GLU 8 -8.737 -5.129 -1.527
47 HA GLU 8 HA GLU 8 -8.192 -7.954 -1.175
48 HB2 GLU 8 1HB GLU 8 -8.405 -6.797 -3.396
49 HB3 GLU 8 2HB GLU 8 -6.870 -5.979 -3.077
50 HG2 GLU 8 1HG GLU 8 -6.464 -7.886 -4.508
51 HG3 GLU 8 2HG GLU 8 -5.764 -8.213 -2.920
52 H TRP 9 H TRP 9 -6.517 -8.900 -0.103
53 HA TRP 9 HA TRP 9 -4.459 -7.399 1.266
54 HB2 TRP 9 1HB TRP 9 -4.888 -9.653 2.011
55 HB3 TRP 9 2HB TRP 9 -4.712 -10.297 0.373
56 HD1 TRP 9 HD TRP 9 -2.366 -11.268 -0.215
57 HE1 TRP 9 1HE TRP 9 -0.049 -11.297 0.787
58 HE3 TRP 9 3HE TRP 9 -3.177 -7.848 3.506
59 HZ2 TRP 9 2HZ TRP 9 1.340 -9.946 2.867
60 HZ3 TRP 9 3HZ TRP 9 -1.245 -7.217 4.960
61 HH2 TRP 9 HH TRP 9 0.988 -8.263 4.643
62 H ASP 10 H ASP 10 -3.154 -6.103 0.153
63 HA ASP 10 HA ASP 10 -1.942 -7.096 -2.385
64 HB2 ASP 10 1HB ASP 10 -3.999 -5.655 -2.800
65 HB3 ASP 10 2HB ASP 10 -3.179 -4.343 -1.975
66 HA PRO 11 HA PRO 11 0.753 -5.114 0.787
67 HB2 PRO 11 1HB PRO 11 2.926 -6.813 0.561
68 HB3 PRO 11 2HB PRO 11 1.543 -7.085 1.667
69 HG2 PRO 11 1HG PRO 11 2.004 -8.246 -1.064
70 HG3 PRO 11 2HG PRO 11 1.529 -9.055 0.438
71 HD2 PRO 11 1HD PRO 11 -0.280 -8.379 -1.432
72 HD3 PRO 11 2HD PRO 11 -0.654 -8.185 0.322
73 H VAL 12 H VAL 12 1.888 -3.446 0.311
74 HA VAL 12 HA VAL 12 3.701 -3.440 -2.044
75 HB VAL 12 HB VAL 12 2.849 -1.135 -2.634
76 HG11 VAL 12 1HG1 VAL 12 2.118 -3.142 -3.919
77 HG12 VAL 12 2HG1 VAL 12 0.705 -3.292 -2.855
78 HG13 VAL 12 3HG1 VAL 12 0.885 -1.866 -3.896
79 HG21 VAL 12 3HG2 VAL 12 0.497 -1.849 -0.817
80 HG22 VAL 12 1HG2 VAL 12 1.734 -0.616 -0.471
81 HG23 VAL 12 2HG2 VAL 12 0.637 -0.411 -1.847
82 H CYS 13 H CYS 13 5.220 -1.570 -1.797
83 HA CYS 13 HA CYS 13 5.403 -0.672 1.047
84 HB2 CYS 13 1HB CYS 13 6.852 -2.635 0.684
85 HB3 CYS 13 2HB CYS 13 7.608 -1.806 -0.669
86 H GLY 14 H GLY 14 5.788 1.445 1.248
87 HA2 GLY 14 1HA GLY 14 5.759 2.987 -1.234
88 HA3 GLY 14 2HA GLY 14 5.640 3.609 0.414
89 H LYS 15 H LYS 15 6.990 5.173 -1.070
90 HA LYS 15 HA LYS 15 9.844 4.607 -1.267
91 HB2 LYS 15 1HB LYS 15 8.193 7.155 -1.377
92 HB3 LYS 15 2HB LYS 15 9.958 7.143 -1.517
93 HG2 LYS 15 1HG LYS 15 9.809 5.671 -3.469
94 HG3 LYS 15 2HG LYS 15 8.053 5.677 -3.372
95 HD2 LYS 15 1HD LYS 15 7.984 8.055 -3.838
96 HD3 LYS 15 2HD LYS 15 9.753 8.162 -3.724
97 HE2 LYS 15 1HE LYS 15 9.133 8.129 -6.068
98 HE3 LYS 15 2HE LYS 15 9.970 6.622 -5.660
99 HZ1 LYS 15 3HZ LYS 15 8.039 6.198 -7.028
100 HZ2 LYS 15 1HZ LYS 15 7.037 6.933 -5.948
101 HZ3 LYS 15 2HZ LYS 15 7.797 5.525 -5.544
102 H ASP 16 H ASP 16 7.764 5.262 1.304
103 HA ASP 16 HA ASP 16 9.792 6.498 3.043
104 HB2 ASP 16 1HB ASP 16 8.017 6.490 4.715
105 HB3 ASP 16 2HB ASP 16 7.399 7.161 3.200
106 H GLY 17 H GLY 17 9.307 3.465 1.829
107 HA2 GLY 17 1HA GLY 17 10.363 1.507 2.438
108 HA3 GLY 17 2HA GLY 17 10.909 2.276 3.931
109 H LYS 18 H LYS 18 7.606 2.769 3.894
110 HA LYS 18 HA LYS 18 7.342 0.547 5.821
111 HB2 LYS 18 1HB LYS 18 5.415 2.781 5.099
112 HB3 LYS 18 2HB LYS 18 5.165 1.566 6.360
113 HG2 LYS 18 1HG LYS 18 7.531 2.459 7.202
114 HG3 LYS 18 2HG LYS 18 7.031 3.915 6.328
115 HD2 LYS 18 1HD LYS 18 5.419 2.494 8.497
116 HD3 LYS 18 2HD LYS 18 6.407 3.936 8.757
117 HE2 LYS 18 1HE LYS 18 4.003 3.791 6.885
118 HE3 LYS 18 2HE LYS 18 3.965 4.416 8.541
119 HZ1 LYS 18 3HZ LYS 18 5.632 6.078 7.823
120 HZ2 LYS 18 1HZ LYS 18 4.190 6.222 7.031
121 HZ3 LYS 18 2HZ LYS 18 5.480 5.543 6.264
122 H THR 19 H THR 19 6.047 -1.144 5.691
123 HA THR 19 HA THR 19 4.959 -1.909 3.081
124 HB THR 19 HB THR 19 4.835 -3.267 5.823
125 HG1 THR 19 1HG THR 19 6.680 -4.222 5.254
126 HG21 THR 19 1HG2 THR 19 4.400 -5.320 4.459
127 HG22 THR 19 2HG2 THR 19 4.196 -4.281 3.026
128 HG23 THR 19 3HG2 THR 19 3.076 -4.143 4.402
129 H TYR 20 H TYR 20 2.881 -1.699 2.475
130 HA TYR 20 HA TYR 20 0.872 -1.005 4.598
131 HB2 TYR 20 1HB TYR 20 1.012 -0.202 1.674
132 HB3 TYR 20 2HB TYR 20 -0.395 0.058 2.713
133 HD1 TYR 20 2HD TYR 20 3.135 1.069 2.087
134 HD2 TYR 20 1HD TYR 20 -0.386 1.764 4.455
135 HE1 TYR 20 2HE TYR 20 4.149 3.171 2.978
136 HE2 TYR 20 1HE TYR 20 0.636 3.862 5.343
137 HH TYR 20 HH TYR 20 3.916 4.944 4.399
138 H SER 21 H SER 21 -0.908 -2.338 4.678
139 HA SER 21 HA SER 21 -0.492 -4.965 3.657
140 HB2 SER 21 1HB SER 21 -2.909 -5.274 4.523
141 HB3 SER 21 2HB SER 21 -1.654 -4.807 5.691
142 HG SER 21 HG SER 21 -3.443 -3.494 5.977
143 H ASN 22 H ASN 22 -2.969 -2.506 2.784
144 HA ASN 22 HA ASN 22 -3.062 -3.848 0.138
145 HB2 ASN 22 1HB ASN 22 -5.291 -2.845 -0.241
146 HB3 ASN 22 2HB ASN 22 -5.245 -4.056 1.034
147 HD21 ASN 22 2HD2 ASN 22 -7.123 -3.250 1.989
148 HD22 ASN 22 1HD2 ASN 22 -7.112 -1.745 2.876
149 H LEU 23 H LEU 23 -3.482 -2.383 -1.688
150 HA LEU 23 HA LEU 23 -1.654 -0.188 -1.785
151 HB2 LEU 23 1HB LEU 23 -2.446 -1.559 -3.714
152 HB3 LEU 23 2HB LEU 23 -4.040 -0.837 -3.549
153 HG LEU 23 HG LEU 23 -3.063 1.387 -4.116
154 HD11 LEU 23 1HD1 LEU 23 -0.811 1.471 -5.133
155 HD12 LEU 23 2HD1 LEU 23 -0.545 -0.231 -4.688
156 HD13 LEU 23 3HD1 LEU 23 -0.730 1.009 -3.425
157 HD21 LEU 23 3HD2 LEU 23 -2.758 0.874 -6.510
158 HD22 LEU 23 1HD2 LEU 23 -4.119 -0.030 -5.817
159 HD23 LEU 23 2HD2 LEU 23 -2.569 -0.853 -6.118
160 H CYS 24 H CYS 24 -4.997 -0.457 -0.767
161 HA CYS 24 HA CYS 24 -5.823 2.234 -1.156
162 HB2 CYS 24 1HB CYS 24 -7.364 0.419 -0.579
163 HB3 CYS 24 2HB CYS 24 -6.603 0.238 0.990
164 H TRP 25 H TRP 25 -4.310 0.685 1.785
165 HA TRP 25 HA TRP 25 -4.272 3.214 3.152
166 HB2 TRP 25 1HB TRP 25 -2.519 0.806 3.677
167 HB3 TRP 25 2HB TRP 25 -2.879 2.127 4.797
168 HD1 TRP 25 HD TRP 25 -3.639 -1.202 4.828
169 HE1 TRP 25 1HE TRP 25 -5.966 -1.885 5.580
170 HE3 TRP 25 3HE TRP 25 -5.947 3.322 4.185
171 HZ2 TRP 25 2HZ TRP 25 -8.528 -0.659 5.811
172 HZ3 TRP 25 3HZ TRP 25 -8.387 3.500 4.685
173 HH2 TRP 25 HH TRP 25 -9.660 1.512 5.484
174 H LEU 26 H LEU 26 -2.030 1.695 0.892
175 HA LEU 26 HA LEU 26 0.199 3.445 1.424
176 HB2 LEU 26 1HB LEU 26 0.336 1.393 0.079
177 HB3 LEU 26 2HB LEU 26 -0.727 2.069 -1.122
178 HG LEU 26 HG LEU 26 1.716 1.851 -1.692
179 HD11 LEU 26 1HD1 LEU 26 1.734 3.801 -3.085
180 HD12 LEU 26 2HD1 LEU 26 0.561 4.630 -2.052
181 HD13 LEU 26 3HD1 LEU 26 0.067 3.201 -2.989
182 HD21 LEU 26 3HD2 LEU 26 3.216 3.651 -1.064
183 HD22 LEU 26 1HD2 LEU 26 2.673 2.753 0.366
184 HD23 LEU 26 2HD2 LEU 26 1.978 4.348 -0.002
185 H ASN 27 H ASN 27 -2.643 3.643 -0.748
186 HA ASN 27 HA ASN 27 -1.984 6.187 -1.875
187 HB2 ASN 27 1HB ASN 27 -3.731 4.384 -2.593
188 HB3 ASN 27 2HB ASN 27 -4.820 5.200 -1.465
189 HD21 ASN 27 2HD2 ASN 27 -4.401 7.841 -1.823
190 HD22 ASN 27 1HD2 ASN 27 -4.704 8.281 -3.486
191 H GLU 28 H GLU 28 -3.947 5.276 1.008
192 HA GLU 28 HA GLU 28 -4.852 7.955 1.537
193 HB2 GLU 28 1HB GLU 28 -4.458 5.598 3.422
194 HB3 GLU 28 2HB GLU 28 -5.247 7.114 3.862
195 HG2 GLU 28 1HG GLU 28 -6.218 5.121 1.796
196 HG3 GLU 28 2HG GLU 28 -6.927 5.434 3.377
197 H ALA 29 H ALA 29 -1.884 6.211 2.412
198 HA ALA 29 HA ALA 29 -1.012 8.264 4.278
199 HB1 ALA 29 3HB ALA 29 -0.260 5.970 4.531
200 HB2 ALA 29 1HB ALA 29 0.449 5.979 2.902
201 HB3 ALA 29 2HB ALA 29 1.141 7.009 4.181
202 H GLY 30 H GLY 30 -1.108 8.043 0.854
203 HA2 GLY 30 1HA GLY 30 -0.532 9.662 -0.672
204 HA3 GLY 30 2HA GLY 30 0.114 10.643 0.646
205 H VAL 31 H VAL 31 1.505 7.497 0.489
206 HA VAL 31 HA VAL 31 4.019 8.730 -0.382
207 HB VAL 31 HB VAL 31 3.922 5.789 0.085
208 HG11 VAL 31 1HG1 VAL 31 5.697 7.995 1.192
209 HG12 VAL 31 2HG1 VAL 31 5.992 6.245 1.269
210 HG13 VAL 31 3HG1 VAL 31 6.008 7.071 -0.298
211 HG21 VAL 31 3HG2 VAL 31 3.342 7.753 2.333
212 HG22 VAL 31 1HG2 VAL 31 2.379 6.338 1.825
213 HG23 VAL 31 2HG2 VAL 31 3.957 6.102 2.584
214 H GLY 32 H GLY 32 5.074 8.195 -2.233
215 HA2 GLY 32 1HA GLY 32 3.527 6.964 -4.369
216 HA3 GLY 32 2HA GLY 32 5.238 7.460 -4.456
217 H LEU 33 H LEU 33 3.725 4.846 -5.124
218 HA LEU 33 HA LEU 33 4.669 2.835 -3.297
219 HB2 LEU 33 1HB LEU 33 2.869 2.556 -5.000
220 HB3 LEU 33 2HB LEU 33 4.069 2.664 -6.280
221 HG LEU 33 HG LEU 33 4.453 0.530 -4.213
222 HD11 LEU 33 1HD1 LEU 33 2.855 -0.942 -5.396
223 HD12 LEU 33 2HD1 LEU 33 2.327 0.436 -6.388
224 HD13 LEU 33 3HD1 LEU 33 2.049 0.440 -4.629
225 HD21 LEU 33 3HD2 LEU 33 5.225 -0.774 -6.124
226 HD22 LEU 33 1HD2 LEU 33 6.025 0.806 -6.164
227 HD23 LEU 33 2HD2 LEU 33 4.668 0.477 -7.259
228 H ASP 34 H ASP 34 6.613 1.670 -3.293
229 HA ASP 34 HA ASP 34 8.642 2.547 -5.328
230 HB2 ASP 34 1HB ASP 34 8.991 3.306 -2.896
231 HB3 ASP 34 2HB ASP 34 9.348 1.619 -2.536
232 H HIS 35 H HIS 35 7.833 -0.085 -2.982
233 HA HIS 35 HA HIS 35 8.952 -1.984 -5.015
234 HB2 HIS 35 1HB HIS 35 8.635 -2.604 -2.084
235 HB3 HIS 35 2HB HIS 35 9.617 -3.439 -3.273
236 HD1 HIS 35 1HD HIS 35 11.821 -2.016 -4.135
237 HD2 HIS 35 2HD HIS 35 9.947 -0.636 -0.661
238 HE1 HIS 35 1HE HIS 35 13.471 -0.462 -2.982
239 H GLU 36 H GLU 36 7.774 -3.968 -5.301
240 HA GLU 36 HA GLU 36 4.890 -3.782 -4.517
241 HB2 GLU 36 1HB GLU 36 6.337 -5.594 -6.504
242 HB3 GLU 36 2HB GLU 36 4.613 -5.670 -6.133
243 HG2 GLU 36 1HG GLU 36 5.982 -3.235 -7.350
244 HG3 GLU 36 2HG GLU 36 5.188 -4.504 -8.292
245 H GLY 37 H GLY 37 4.116 -5.480 -3.148
246 HA2 GLY 37 1HA GLY 37 4.364 -7.387 -1.802
247 HA3 GLY 37 2HA GLY 37 6.070 -7.520 -2.279
248 H GLU 38 H GLU 38 5.769 -7.870 0.274
249 HA GLU 38 HA GLU 38 5.619 -5.447 1.847
250 HB2 GLU 38 1HB GLU 38 6.732 -8.184 2.552
251 HB3 GLU 38 2HB GLU 38 6.320 -6.909 3.699
252 HG2 GLU 38 1HG GLU 38 3.943 -7.066 2.971
253 HG3 GLU 38 2HG GLU 38 4.378 -8.410 1.908
254 H CYS 39 H CYS 39 7.295 -4.614 3.205
255 HA CYS 39 HA CYS 39 10.104 -5.085 2.262
256 HB2 CYS 39 1HB CYS 39 8.758 -2.680 3.562
257 HB3 CYS 39 2HB CYS 39 10.501 -2.937 3.645
258 H LEU 40 H LEU 40 11.614 -5.277 4.059
259 HA LEU 40 HA LEU 40 10.437 -5.928 6.713
260 HB2 LEU 40 1HB LEU 40 12.341 -7.624 5.041
261 HB3 LEU 40 2HB LEU 40 12.297 -7.706 6.790
262 HG LEU 40 HG LEU 40 9.861 -8.417 6.605
263 HD11 LEU 40 1HD1 LEU 40 9.281 -9.611 4.474
264 HD12 LEU 40 2HD1 LEU 40 10.686 -8.839 3.701
265 HD13 LEU 40 3HD1 LEU 40 9.339 -7.853 4.301
266 HD21 LEU 40 3HD2 LEU 40 12.065 -10.175 5.453
267 HD22 LEU 40 1HD2 LEU 40 10.544 -10.750 6.179
268 HD23 LEU 40 2HD2 LEU 40 11.736 -9.895 7.180
Start of MODEL 9
1 H1 GLU 1 1H GLU 1 -13.826 9.363 -11.333
2 H2 GLU 1 2H GLU 1 -15.185 9.120 -10.427
3 H3 GLU 1 3H GLU 1 -13.759 9.488 -9.687
4 HA GLU 1 HA GLU 1 -14.358 7.011 -11.168
5 HB2 GLU 1 1HB GLU 1 -12.055 7.589 -11.525
6 HB3 GLU 1 2HB GLU 1 -11.838 8.065 -9.845
7 HG2 GLU 1 1HG GLU 1 -10.702 5.961 -10.243
8 HG3 GLU 1 2HG GLU 1 -12.050 5.698 -9.135
9 H ALA 2 H ALA 2 -15.123 5.325 -9.929
10 HA ALA 2 HA ALA 2 -16.246 6.058 -7.406
11 HB1 ALA 2 3HB ALA 2 -17.034 3.714 -7.348
12 HB2 ALA 2 1HB ALA 2 -17.313 4.455 -8.940
13 HB3 ALA 2 2HB ALA 2 -15.964 3.313 -8.711
14 H ALA 3 H ALA 3 -13.434 3.958 -8.190
15 HA ALA 3 HA ALA 3 -12.449 4.330 -5.442
16 HB1 ALA 3 3HB ALA 3 -13.033 1.559 -6.609
17 HB2 ALA 3 1HB ALA 3 -12.179 1.880 -5.080
18 HB3 ALA 3 2HB ALA 3 -13.896 2.316 -5.246
19 H VAL 4 H VAL 4 -10.197 3.753 -5.279
20 HA VAL 4 HA VAL 4 -8.857 3.245 -7.884
21 HB VAL 4 HB VAL 4 -7.030 4.845 -7.182
22 HG11 VAL 4 1HG1 VAL 4 -9.783 6.110 -7.522
23 HG12 VAL 4 2HG1 VAL 4 -8.214 6.871 -7.877
24 HG13 VAL 4 3HG1 VAL 4 -8.758 5.480 -8.836
25 HG21 VAL 4 3HG2 VAL 4 -7.566 4.946 -4.743
26 HG22 VAL 4 1HG2 VAL 4 -7.521 6.553 -5.477
27 HG23 VAL 4 2HG2 VAL 4 -9.087 5.796 -5.118
28 H CYS 5 H CYS 5 -8.908 2.755 -4.463
29 HA CYS 5 HA CYS 5 -6.483 1.048 -4.686
30 HB2 CYS 5 1HB CYS 5 -6.149 1.423 -2.331
31 HB3 CYS 5 2HB CYS 5 -6.259 2.967 -3.171
32 H THR 6 H THR 6 -6.504 -1.005 -3.487
33 HA THR 6 HA THR 6 -9.229 -2.172 -3.373
34 HB THR 6 HB THR 6 -7.825 -4.288 -3.077
35 HG1 THR 6 1HG THR 6 -5.559 -3.872 -3.783
36 HG21 THR 6 1HG2 THR 6 -7.099 -4.409 -5.393
37 HG22 THR 6 2HG2 THR 6 -7.120 -2.638 -5.531
38 HG23 THR 6 3HG2 THR 6 -8.644 -3.534 -5.318
39 H THR 7 H THR 7 -9.948 -3.372 -1.534
40 HA THR 7 HA THR 7 -8.531 -2.785 0.996
41 HB THR 7 HB THR 7 -10.671 -3.508 2.113
42 HG1 THR 7 1HG THR 7 -12.454 -3.827 0.742
43 HG21 THR 7 1HG2 THR 7 -11.988 -1.539 1.545
44 HG22 THR 7 2HG2 THR 7 -11.109 -1.337 0.014
45 HG23 THR 7 3HG2 THR 7 -10.270 -1.088 1.565
46 H GLU 8 H GLU 8 -8.629 -4.770 -1.263
47 HA GLU 8 HA GLU 8 -8.598 -7.396 0.006
48 HB2 GLU 8 1HB GLU 8 -7.755 -6.445 -2.763
49 HB3 GLU 8 2HB GLU 8 -7.709 -8.126 -2.221
50 HG2 GLU 8 1HG GLU 8 -9.756 -8.261 -3.073
51 HG3 GLU 8 2HG GLU 8 -10.278 -7.460 -1.593
52 H TRP 9 H TRP 9 -6.833 -8.487 0.723
53 HA TRP 9 HA TRP 9 -4.515 -7.149 1.629
54 HB2 TRP 9 1HB TRP 9 -5.014 -9.338 2.488
55 HB3 TRP 9 2HB TRP 9 -5.026 -10.045 0.868
56 HD1 TRP 9 HD TRP 9 -2.759 -11.064 0.005
57 HE1 TRP 9 1HE TRP 9 -0.390 -11.281 0.847
58 HE3 TRP 9 3HE TRP 9 -3.111 -7.789 3.924
59 HZ2 TRP 9 2HZ TRP 9 1.210 -10.130 2.889
60 HZ3 TRP 9 3HZ TRP 9 -1.050 -7.359 5.277
61 HH2 TRP 9 HH TRP 9 1.084 -8.525 4.763
62 H ASP 10 H ASP 10 -3.307 -5.944 0.408
63 HA ASP 10 HA ASP 10 -2.209 -7.046 -2.143
64 HB2 ASP 10 1HB ASP 10 -4.235 -5.548 -2.541
65 HB3 ASP 10 2HB ASP 10 -3.344 -4.236 -1.776
66 HA PRO 11 HA PRO 11 0.604 -5.121 0.958
67 HB2 PRO 11 1HB PRO 11 2.758 -6.833 0.578
68 HB3 PRO 11 2HB PRO 11 1.449 -7.091 1.774
69 HG2 PRO 11 1HG PRO 11 1.715 -8.250 -0.982
70 HG3 PRO 11 2HG PRO 11 1.324 -9.053 0.547
71 HD2 PRO 11 1HD PRO 11 -0.591 -8.355 -1.200
72 HD3 PRO 11 2HD PRO 11 -0.840 -8.133 0.571
73 H VAL 12 H VAL 12 1.796 -3.479 0.494
74 HA VAL 12 HA VAL 12 3.436 -3.397 -1.978
75 HB VAL 12 HB VAL 12 2.517 -1.055 -2.394
76 HG11 VAL 12 1HG1 VAL 12 1.903 -2.998 -3.824
77 HG12 VAL 12 2HG1 VAL 12 0.489 -3.286 -2.789
78 HG13 VAL 12 3HG1 VAL 12 0.614 -1.783 -3.728
79 HG21 VAL 12 3HG2 VAL 12 0.280 -0.490 -1.571
80 HG22 VAL 12 1HG2 VAL 12 0.205 -2.003 -0.646
81 HG23 VAL 12 2HG2 VAL 12 1.386 -0.744 -0.209
82 H CYS 13 H CYS 13 4.904 -1.494 -1.839
83 HA CYS 13 HA CYS 13 5.299 -0.617 0.984
84 HB2 CYS 13 1HB CYS 13 6.767 -2.530 0.439
85 HB3 CYS 13 2HB CYS 13 7.400 -1.622 -0.930
86 H GLY 14 H GLY 14 5.658 1.480 1.215
87 HA2 GLY 14 1HA GLY 14 5.382 3.146 -1.155
88 HA3 GLY 14 2HA GLY 14 5.506 3.689 0.522
89 H LYS 15 H LYS 15 6.702 5.234 -1.222
90 HA LYS 15 HA LYS 15 9.446 4.551 -1.823
91 HB2 LYS 15 1HB LYS 15 7.985 7.203 -1.634
92 HB3 LYS 15 2HB LYS 15 9.684 7.052 -2.113
93 HG2 LYS 15 1HG LYS 15 9.012 5.566 -3.969
94 HG3 LYS 15 2HG LYS 15 7.325 5.797 -3.545
95 HD2 LYS 15 1HD LYS 15 7.547 8.210 -3.980
96 HD3 LYS 15 2HD LYS 15 9.258 7.960 -4.405
97 HE2 LYS 15 1HE LYS 15 8.553 6.365 -6.190
98 HE3 LYS 15 2HE LYS 15 6.857 6.708 -5.806
99 HZ1 LYS 15 3HZ LYS 15 7.263 9.025 -6.411
100 HZ2 LYS 15 1HZ LYS 15 7.629 8.026 -7.673
101 HZ3 LYS 15 2HZ LYS 15 8.838 8.694 -6.771
102 H ASP 16 H ASP 16 7.911 5.498 1.112
103 HA ASP 16 HA ASP 16 10.476 6.383 2.289
104 HB2 ASP 16 1HB ASP 16 9.206 7.089 4.166
105 HB3 ASP 16 2HB ASP 16 8.310 7.605 2.729
106 H GLY 17 H GLY 17 9.337 3.498 1.474
107 HA2 GLY 17 1HA GLY 17 10.257 1.477 2.093
108 HA3 GLY 17 2HA GLY 17 10.929 2.219 3.539
109 H LYS 18 H LYS 18 7.624 2.911 3.653
110 HA LYS 18 HA LYS 18 7.378 0.810 5.694
111 HB2 LYS 18 1HB LYS 18 5.259 2.762 4.782
112 HB3 LYS 18 2HB LYS 18 5.287 1.862 6.298
113 HG2 LYS 18 1HG LYS 18 7.250 3.993 5.460
114 HG3 LYS 18 2HG LYS 18 5.870 4.266 6.515
115 HD2 LYS 18 1HD LYS 18 6.914 3.355 8.322
116 HD3 LYS 18 2HD LYS 18 7.797 2.149 7.363
117 HE2 LYS 18 1HE LYS 18 9.288 3.928 8.325
118 HE3 LYS 18 2HE LYS 18 9.356 3.806 6.556
119 HZ1 LYS 18 3HZ LYS 18 9.209 6.102 7.218
120 HZ2 LYS 18 1HZ LYS 18 7.819 5.842 8.068
121 HZ3 LYS 18 2HZ LYS 18 7.821 5.696 6.422
122 H THR 19 H THR 19 6.171 -0.967 5.684
123 HA THR 19 HA THR 19 5.020 -1.898 3.146
124 HB THR 19 HB THR 19 5.143 -3.179 5.927
125 HG1 THR 19 1HG THR 19 6.955 -4.156 5.201
126 HG21 THR 19 1HG2 THR 19 3.354 -4.209 4.675
127 HG22 THR 19 2HG2 THR 19 4.752 -5.297 4.630
128 HG23 THR 19 3HG2 THR 19 4.361 -4.296 3.210
129 H TYR 20 H TYR 20 2.907 -1.764 2.638
130 HA TYR 20 HA TYR 20 0.974 -1.194 4.858
131 HB2 TYR 20 1HB TYR 20 0.894 -0.378 1.937
132 HB3 TYR 20 2HB TYR 20 -0.436 -0.161 3.082
133 HD1 TYR 20 1HD TYR 20 -0.224 1.443 4.979
134 HD2 TYR 20 2HD TYR 20 2.896 1.037 2.049
135 HE1 TYR 20 1HE TYR 20 0.814 3.553 5.788
136 HE2 TYR 20 2HE TYR 20 3.923 3.159 2.859
137 HH TYR 20 HH TYR 20 2.536 5.035 5.555
138 H SER 21 H SER 21 -0.763 -2.553 5.026
139 HA SER 21 HA SER 21 -0.427 -5.170 3.915
140 HB2 SER 21 1HB SER 21 -2.809 -5.417 4.966
141 HB3 SER 21 2HB SER 21 -1.423 -5.084 6.032
142 HG SER 21 HG SER 21 -3.106 -3.674 6.532
143 H ASN 22 H ASN 22 -3.012 -2.736 3.416
144 HA ASN 22 HA ASN 22 -3.583 -4.081 0.808
145 HB2 ASN 22 1HB ASN 22 -5.469 -2.153 2.128
146 HB3 ASN 22 2HB ASN 22 -5.783 -3.290 0.818
147 HD21 ASN 22 2HD2 ASN 22 -7.142 -2.912 3.411
148 HD22 ASN 22 1HD2 ASN 22 -7.092 -4.481 4.175
149 H LEU 23 H LEU 23 -4.167 -2.576 -0.944
150 HA LEU 23 HA LEU 23 -2.228 -0.464 -1.209
151 HB2 LEU 23 1HB LEU 23 -3.237 -1.804 -3.058
152 HB3 LEU 23 2HB LEU 23 -4.777 -1.010 -2.775
153 HG LEU 23 HG LEU 23 -3.833 1.141 -3.486
154 HD11 LEU 23 1HD1 LEU 23 -1.490 0.888 -2.849
155 HD12 LEU 23 2HD1 LEU 23 -1.596 1.192 -4.592
156 HD13 LEU 23 3HD1 LEU 23 -1.291 -0.458 -3.997
157 HD21 LEU 23 3HD2 LEU 23 -4.881 -0.409 -5.117
158 HD22 LEU 23 1HD2 LEU 23 -3.292 -1.133 -5.444
159 HD23 LEU 23 2HD2 LEU 23 -3.605 0.570 -5.864
160 H CYS 24 H CYS 24 -5.651 -0.492 -0.094
161 HA CYS 24 HA CYS 24 -5.925 2.356 -0.299
162 HB2 CYS 24 1HB CYS 24 -7.321 0.345 1.471
163 HB3 CYS 24 2HB CYS 24 -7.691 2.067 1.481
164 H TRP 25 H TRP 25 -4.251 0.408 2.113
165 HA TRP 25 HA TRP 25 -4.204 2.606 4.030
166 HB2 TRP 25 1HB TRP 25 -2.515 0.093 3.818
167 HB3 TRP 25 2HB TRP 25 -2.456 1.252 5.154
168 HD1 TRP 25 HD TRP 25 -4.120 -1.873 4.263
169 HE1 TRP 25 1HE TRP 25 -6.150 -2.375 5.700
170 HE3 TRP 25 3HE TRP 25 -4.650 2.764 6.342
171 HZ2 TRP 25 2HZ TRP 25 -7.833 -0.940 7.502
172 HZ3 TRP 25 3HZ TRP 25 -6.539 3.151 7.933
173 HH2 TRP 25 HH TRP 25 -8.117 1.305 8.496
174 H LEU 26 H LEU 26 -2.172 1.431 1.380
175 HA LEU 26 HA LEU 26 0.032 3.243 1.766
176 HB2 LEU 26 1HB LEU 26 0.069 1.251 0.334
177 HB3 LEU 26 2HB LEU 26 -1.137 1.941 -0.712
178 HG LEU 26 HG LEU 26 1.166 1.816 -1.605
179 HD11 LEU 26 1HD1 LEU 26 0.091 4.642 -1.583
180 HD12 LEU 26 2HD1 LEU 26 -0.587 3.316 -2.559
181 HD13 LEU 26 3HD1 LEU 26 1.081 3.864 -2.828
182 HD21 LEU 26 3HD2 LEU 26 2.391 2.460 0.350
183 HD22 LEU 26 1HD2 LEU 26 1.701 4.098 0.275
184 HD23 LEU 26 2HD2 LEU 26 2.772 3.519 -1.019
185 H ASN 27 H ASN 27 -3.016 3.379 -0.077
186 HA ASN 27 HA ASN 27 -2.629 5.939 -1.236
187 HB2 ASN 27 1HB ASN 27 -4.426 4.029 -1.599
188 HB3 ASN 27 2HB ASN 27 -5.366 4.957 -0.424
189 HD21 ASN 27 2HD2 ASN 27 -4.626 7.582 -1.164
190 HD22 ASN 27 1HD2 ASN 27 -5.257 7.869 -2.771
191 H GLU 28 H GLU 28 -4.137 4.995 1.884
192 HA GLU 28 HA GLU 28 -5.060 7.641 2.538
193 HB2 GLU 28 1HB GLU 28 -4.488 5.139 4.136
194 HB3 GLU 28 2HB GLU 28 -4.980 6.640 4.931
195 HG2 GLU 28 1HG GLU 28 -7.092 6.656 3.866
196 HG3 GLU 28 2HG GLU 28 -6.600 5.439 2.683
197 H ALA 29 H ALA 29 -1.974 5.952 3.054
198 HA ALA 29 HA ALA 29 -0.942 8.018 4.822
199 HB1 ALA 29 3HB ALA 29 1.206 6.816 4.482
200 HB2 ALA 29 1HB ALA 29 -0.123 5.736 4.966
201 HB3 ALA 29 2HB ALA 29 0.411 5.781 3.270
202 H GLY 30 H GLY 30 -1.304 7.675 1.394
203 HA2 GLY 30 1HA GLY 30 -0.963 9.286 -0.215
204 HA3 GLY 30 2HA GLY 30 -0.271 10.345 1.015
205 H VAL 31 H VAL 31 1.358 7.354 0.987
206 HA VAL 31 HA VAL 31 3.704 8.645 -0.101
207 HB VAL 31 HB VAL 31 3.749 5.682 0.198
208 HG11 VAL 31 1HG1 VAL 31 5.498 7.906 1.332
209 HG12 VAL 31 2HG1 VAL 31 5.874 6.171 1.304
210 HG13 VAL 31 3HG1 VAL 31 5.765 7.071 -0.220
211 HG21 VAL 31 3HG2 VAL 31 2.303 6.031 2.051
212 HG22 VAL 31 1HG2 VAL 31 3.936 5.866 2.712
213 HG23 VAL 31 2HG2 VAL 31 3.203 7.481 2.583
214 H GLY 32 H GLY 32 4.639 8.271 -2.012
215 HA2 GLY 32 1HA GLY 32 3.065 7.174 -4.173
216 HA3 GLY 32 2HA GLY 32 4.784 7.640 -4.260
217 H LEU 33 H LEU 33 3.385 5.189 -5.253
218 HA LEU 33 HA LEU 33 4.179 2.965 -3.588
219 HB2 LEU 33 1HB LEU 33 2.418 2.873 -5.344
220 HB3 LEU 33 2HB LEU 33 3.641 3.182 -6.573
221 HG LEU 33 HG LEU 33 4.712 1.002 -6.025
222 HD11 LEU 33 1HD1 LEU 33 3.376 -0.634 -4.716
223 HD12 LEU 33 2HD1 LEU 33 2.269 0.677 -4.247
224 HD13 LEU 33 3HD1 LEU 33 3.970 0.707 -3.726
225 HD21 LEU 33 3HD2 LEU 33 3.107 1.218 -7.877
226 HD22 LEU 33 1HD2 LEU 33 1.761 0.873 -6.763
227 HD23 LEU 33 2HD2 LEU 33 2.982 -0.375 -7.105
228 H ASP 34 H ASP 34 6.084 1.746 -3.659
229 HA ASP 34 HA ASP 34 8.094 2.586 -5.712
230 HB2 ASP 34 1HB ASP 34 8.526 3.333 -3.273
231 HB3 ASP 34 2HB ASP 34 8.937 1.647 -2.970
232 H HIS 35 H HIS 35 7.392 0.016 -3.278
233 HA HIS 35 HA HIS 35 8.228 -1.953 -5.380
234 HB2 HIS 35 1HB HIS 35 8.114 -2.596 -2.444
235 HB3 HIS 35 2HB HIS 35 8.999 -3.422 -3.715
236 HD1 HIS 35 1HD HIS 35 11.190 -2.062 -4.663
237 HD2 HIS 35 2HD HIS 35 9.543 -0.662 -1.088
238 HE1 HIS 35 1HE HIS 35 12.956 -0.597 -3.567
239 H GLU 36 H GLU 36 6.949 -3.866 -5.571
240 HA GLU 36 HA GLU 36 4.220 -3.664 -4.350
241 HB2 GLU 36 1HB GLU 36 5.259 -5.298 -6.708
242 HB3 GLU 36 2HB GLU 36 3.636 -5.437 -6.015
243 HG2 GLU 36 1HG GLU 36 3.205 -3.058 -6.593
244 HG3 GLU 36 2HG GLU 36 4.806 -2.963 -7.342
245 H GLY 37 H GLY 37 3.638 -5.453 -3.013
246 HA2 GLY 37 1HA GLY 37 4.111 -7.447 -1.833
247 HA3 GLY 37 2HA GLY 37 5.772 -7.447 -2.468
248 H GLU 38 H GLU 38 5.545 -7.856 0.170
249 HA GLU 38 HA GLU 38 5.474 -5.425 1.729
250 HB2 GLU 38 1HB GLU 38 6.606 -8.162 2.398
251 HB3 GLU 38 2HB GLU 38 6.268 -6.879 3.556
252 HG2 GLU 38 1HG GLU 38 3.851 -7.001 2.933
253 HG3 GLU 38 2HG GLU 38 4.222 -8.362 1.866
254 H CYS 39 H CYS 39 7.229 -4.612 3.043
255 HA CYS 39 HA CYS 39 9.965 -4.961 1.856
256 HB2 CYS 39 1HB CYS 39 8.575 -2.637 3.216
257 HB3 CYS 39 2HB CYS 39 10.321 -2.823 3.362
258 H LEU 40 H LEU 40 11.663 -4.870 3.576
259 HA LEU 40 HA LEU 40 10.830 -5.574 6.313
260 HB2 LEU 40 1HB LEU 40 11.036 -7.765 5.124
261 HB3 LEU 40 2HB LEU 40 12.633 -7.288 4.548
262 HG LEU 40 HG LEU 40 13.478 -7.277 6.870
263 HD11 LEU 40 1HD1 LEU 40 10.681 -8.271 7.549
264 HD12 LEU 40 2HD1 LEU 40 11.462 -6.776 8.123
265 HD13 LEU 40 3HD1 LEU 40 12.082 -8.352 8.647
266 HD21 LEU 40 3HD2 LEU 40 12.080 -9.847 6.034
267 HD22 LEU 40 1HD2 LEU 40 13.456 -9.717 7.157
268 HD23 LEU 40 2HD2 LEU 40 13.663 -9.276 5.451
Start of MODEL 10
1 H1 GLU 1 1H GLU 1 -11.755 12.722 -8.544
2 H2 GLU 1 2H GLU 1 -12.959 12.514 -7.433
3 H3 GLU 1 3H GLU 1 -11.528 13.198 -6.983
4 HA GLU 1 HA GLU 1 -11.852 10.427 -7.928
5 HB2 GLU 1 1HB GLU 1 -9.586 10.063 -7.514
6 HB3 GLU 1 2HB GLU 1 -9.612 11.619 -8.330
7 HG2 GLU 1 1HG GLU 1 -9.335 11.266 -5.292
8 HG3 GLU 1 2HG GLU 1 -7.977 11.450 -6.404
9 H ALA 2 H ALA 2 -11.547 8.780 -6.217
10 HA ALA 2 HA ALA 2 -11.817 9.693 -3.439
11 HB1 ALA 2 3HB ALA 2 -13.993 8.033 -4.829
12 HB2 ALA 2 1HB ALA 2 -13.906 8.378 -3.086
13 HB3 ALA 2 2HB ALA 2 -14.190 9.703 -4.236
14 H ALA 3 H ALA 3 -11.789 7.611 -2.050
15 HA ALA 3 HA ALA 3 -9.782 5.788 -3.133
16 HB1 ALA 3 3HB ALA 3 -9.961 4.710 -0.897
17 HB2 ALA 3 1HB ALA 3 -9.723 6.466 -0.751
18 HB3 ALA 3 2HB ALA 3 -11.339 5.758 -0.500
19 H VAL 4 H VAL 4 -10.527 4.473 -4.704
20 HA VAL 4 HA VAL 4 -13.138 3.083 -4.303
21 HB VAL 4 HB VAL 4 -13.019 2.601 -6.750
22 HG11 VAL 4 1HG1 VAL 4 -14.190 4.627 -5.894
23 HG12 VAL 4 2HG1 VAL 4 -12.695 5.567 -6.106
24 HG13 VAL 4 3HG1 VAL 4 -13.519 4.871 -7.519
25 HG21 VAL 4 3HG2 VAL 4 -10.558 4.424 -6.756
26 HG22 VAL 4 1HG2 VAL 4 -10.522 2.657 -6.993
27 HG23 VAL 4 2HG2 VAL 4 -11.344 3.695 -8.171
28 H CYS 5 H CYS 5 -9.982 2.598 -3.657
29 HA CYS 5 HA CYS 5 -9.689 -0.101 -4.747
30 HB2 CYS 5 1HB CYS 5 -7.642 0.070 -3.072
31 HB3 CYS 5 2HB CYS 5 -7.634 0.886 -4.638
32 H THR 6 H THR 6 -9.442 -2.000 -3.438
33 HA THR 6 HA THR 6 -11.333 -2.004 -1.187
34 HB THR 6 HB THR 6 -11.122 -4.488 -1.517
35 HG1 THR 6 1HG THR 6 -9.985 -5.046 -3.536
36 HG21 THR 6 1HG2 THR 6 -12.281 -4.600 -3.644
37 HG22 THR 6 2HG2 THR 6 -11.642 -3.013 -4.125
38 HG23 THR 6 3HG2 THR 6 -12.815 -3.135 -2.791
39 H THR 7 H THR 7 -10.804 -3.677 0.563
40 HA THR 7 HA THR 7 -8.106 -3.157 1.633
41 HB THR 7 HB THR 7 -9.098 -4.280 3.695
42 HG1 THR 7 1HG THR 7 -11.284 -4.706 3.639
43 HG21 THR 7 1HG2 THR 7 -9.102 -1.799 3.427
44 HG22 THR 7 2HG2 THR 7 -10.526 -2.388 4.311
45 HG23 THR 7 3HG2 THR 7 -10.679 -1.908 2.607
46 H GLU 8 H GLU 8 -8.847 -4.994 -0.612
47 HA GLU 8 HA GLU 8 -8.415 -7.719 0.200
48 HB2 GLU 8 1HB GLU 8 -9.373 -7.025 -1.987
49 HB3 GLU 8 2HB GLU 8 -7.831 -6.280 -2.421
50 HG2 GLU 8 1HG GLU 8 -6.742 -8.494 -2.359
51 HG3 GLU 8 2HG GLU 8 -8.294 -9.241 -1.945
52 H TRP 9 H TRP 9 -6.529 -8.716 0.762
53 HA TRP 9 HA TRP 9 -4.188 -7.346 1.435
54 HB2 TRP 9 1HB TRP 9 -4.701 -9.576 2.260
55 HB3 TRP 9 2HB TRP 9 -4.593 -10.249 0.630
56 HD1 TRP 9 HD TRP 9 -2.283 -11.266 -0.003
57 HE1 TRP 9 1HE TRP 9 0.067 -11.290 0.926
58 HE3 TRP 9 3HE TRP 9 -2.934 -7.714 3.620
59 HZ2 TRP 9 2HZ TRP 9 1.536 -9.901 2.936
60 HZ3 TRP 9 3HZ TRP 9 -0.953 -7.056 4.989
61 HH2 TRP 9 HH TRP 9 1.256 -8.154 4.655
62 H ASP 10 H ASP 10 -3.143 -6.072 0.126
63 HA ASP 10 HA ASP 10 -1.964 -7.192 -2.352
64 HB2 ASP 10 1HB ASP 10 -3.994 -5.849 -2.959
65 HB3 ASP 10 2HB ASP 10 -3.291 -4.472 -2.114
66 HA PRO 11 HA PRO 11 0.645 -5.066 0.770
67 HB2 PRO 11 1HB PRO 11 2.866 -6.717 0.612
68 HB3 PRO 11 2HB PRO 11 1.468 -7.001 1.694
69 HG2 PRO 11 1HG PRO 11 2.008 -8.189 -1.016
70 HG3 PRO 11 2HG PRO 11 1.515 -8.992 0.489
71 HD2 PRO 11 1HD PRO 11 -0.284 -8.393 -1.396
72 HD3 PRO 11 2HD PRO 11 -0.668 -8.150 0.350
73 H VAL 12 H VAL 12 1.871 -3.425 0.395
74 HA VAL 12 HA VAL 12 3.663 -3.369 -1.977
75 HB VAL 12 HB VAL 12 2.856 -1.025 -2.437
76 HG11 VAL 12 1HG1 VAL 12 0.939 -1.679 -3.790
77 HG12 VAL 12 2HG1 VAL 12 2.158 -2.963 -3.840
78 HG13 VAL 12 3HG1 VAL 12 0.712 -3.150 -2.825
79 HG21 VAL 12 3HG2 VAL 12 0.680 -0.299 -1.642
80 HG22 VAL 12 1HG2 VAL 12 0.451 -1.814 -0.742
81 HG23 VAL 12 2HG2 VAL 12 1.711 -0.657 -0.248
82 H CYS 13 H CYS 13 5.184 -1.528 -1.776
83 HA CYS 13 HA CYS 13 5.576 -0.736 1.082
84 HB2 CYS 13 1HB CYS 13 6.973 -2.699 0.367
85 HB3 CYS 13 2HB CYS 13 7.695 -1.661 -0.862
86 H GLY 14 H GLY 14 5.827 1.387 1.315
87 HA2 GLY 14 1HA GLY 14 5.810 3.058 -1.081
88 HA3 GLY 14 2HA GLY 14 5.728 3.602 0.599
89 H LYS 15 H LYS 15 7.177 5.182 -0.855
90 HA LYS 15 HA LYS 15 9.944 4.477 -1.225
91 HB2 LYS 15 1HB LYS 15 8.526 7.131 -0.824
92 HB3 LYS 15 2HB LYS 15 10.262 6.997 -1.136
93 HG2 LYS 15 1HG LYS 15 9.783 5.816 -3.253
94 HG3 LYS 15 2HG LYS 15 8.056 6.020 -2.973
95 HD2 LYS 15 1HD LYS 15 8.343 8.466 -2.989
96 HD3 LYS 15 2HD LYS 15 10.086 8.248 -3.273
97 HE2 LYS 15 1HE LYS 15 9.569 7.011 -5.370
98 HE3 LYS 15 2HE LYS 15 7.839 7.301 -5.101
99 HZ1 LYS 15 3HZ LYS 15 8.785 8.932 -6.610
100 HZ2 LYS 15 1HZ LYS 15 9.896 9.404 -5.485
101 HZ3 LYS 15 2HZ LYS 15 8.291 9.684 -5.227
102 H ASP 16 H ASP 16 8.113 5.357 1.586
103 HA ASP 16 HA ASP 16 10.338 6.117 3.256
104 HB2 ASP 16 1HB ASP 16 7.571 5.045 3.953
105 HB3 ASP 16 2HB ASP 16 8.704 5.765 5.108
106 H GLY 17 H GLY 17 9.583 3.177 1.843
107 HA2 GLY 17 1HA GLY 17 10.568 1.112 2.185
108 HA3 GLY 17 2HA GLY 17 11.349 1.735 3.648
109 H LYS 18 H LYS 18 8.025 2.398 3.736
110 HA LYS 18 HA LYS 18 7.715 0.110 5.600
111 HB2 LYS 18 1HB LYS 18 6.049 2.636 5.438
112 HB3 LYS 18 2HB LYS 18 5.929 1.369 6.656
113 HG2 LYS 18 1HG LYS 18 8.108 3.450 6.299
114 HG3 LYS 18 2HG LYS 18 7.130 3.117 7.726
115 HD2 LYS 18 1HD LYS 18 9.418 1.391 6.641
116 HD3 LYS 18 2HD LYS 18 9.478 2.410 8.071
117 HE2 LYS 18 1HE LYS 18 8.044 0.946 9.313
118 HE3 LYS 18 2HE LYS 18 7.522 0.088 7.851
119 HZ1 LYS 18 3HZ LYS 18 9.156 -1.243 9.032
120 HZ2 LYS 18 1HZ LYS 18 10.262 -0.019 9.006
121 HZ3 LYS 18 2HZ LYS 18 9.812 -0.758 7.604
122 H THR 19 H THR 19 6.107 -1.252 5.628
123 HA THR 19 HA THR 19 4.840 -1.795 3.069
124 HB THR 19 HB THR 19 4.702 -3.245 5.747
125 HG1 THR 19 1HG THR 19 6.455 -4.382 4.998
126 HG21 THR 19 1HG2 THR 19 4.108 -4.154 2.905
127 HG22 THR 19 2HG2 THR 19 2.941 -4.002 4.241
128 HG23 THR 19 3HG2 THR 19 4.219 -5.223 4.325
129 H TYR 20 H TYR 20 2.777 -1.543 2.531
130 HA TYR 20 HA TYR 20 0.807 -0.978 4.710
131 HB2 TYR 20 1HB TYR 20 0.917 -0.014 1.844
132 HB3 TYR 20 2HB TYR 20 -0.519 0.122 2.867
133 HD1 TYR 20 2HD TYR 20 3.051 1.251 2.519
134 HD2 TYR 20 1HD TYR 20 -0.677 1.803 4.594
135 HE1 TYR 20 2HE TYR 20 3.921 3.351 3.539
136 HE2 TYR 20 1HE TYR 20 0.205 3.897 5.609
137 HH TYR 20 HH TYR 20 3.473 5.131 4.945
138 H SER 21 H SER 21 -0.937 -2.348 4.795
139 HA SER 21 HA SER 21 -0.588 -4.925 3.728
140 HB2 SER 21 1HB SER 21 -3.242 -3.765 4.634
141 HB3 SER 21 2HB SER 21 -2.675 -5.443 4.776
142 HG SER 21 HG SER 21 -1.280 -4.828 6.362
143 H ASN 22 H ASN 22 -3.087 -2.520 2.814
144 HA ASN 22 HA ASN 22 -3.185 -3.828 0.144
145 HB2 ASN 22 1HB ASN 22 -5.393 -2.364 -0.019
146 HB3 ASN 22 2HB ASN 22 -5.411 -3.971 0.678
147 HD21 ASN 22 2HD2 ASN 22 -6.475 -0.963 1.097
148 HD22 ASN 22 1HD2 ASN 22 -6.747 -1.046 2.812
149 H LEU 23 H LEU 23 -3.179 -2.482 -1.687
150 HA LEU 23 HA LEU 23 -1.467 -0.231 -1.641
151 HB2 LEU 23 1HB LEU 23 -1.964 -1.576 -3.633
152 HB3 LEU 23 2HB LEU 23 -3.638 -1.037 -3.600
153 HG LEU 23 HG LEU 23 -2.913 1.266 -4.137
154 HD11 LEU 23 1HD1 LEU 23 -0.631 1.702 -4.922
155 HD12 LEU 23 2HD1 LEU 23 -0.144 0.052 -4.488
156 HD13 LEU 23 3HD1 LEU 23 -0.612 1.207 -3.221
157 HD21 LEU 23 3HD2 LEU 23 -1.920 -0.898 -6.032
158 HD22 LEU 23 1HD2 LEU 23 -2.314 0.781 -6.480
159 HD23 LEU 23 2HD2 LEU 23 -3.591 -0.303 -5.894
160 H CYS 24 H CYS 24 -4.937 -0.480 -1.065
161 HA CYS 24 HA CYS 24 -5.557 2.248 -1.505
162 HB2 CYS 24 1HB CYS 24 -7.024 0.071 -0.898
163 HB3 CYS 24 2HB CYS 24 -6.978 0.837 0.697
164 H TRP 25 H TRP 25 -4.173 0.656 1.434
165 HA TRP 25 HA TRP 25 -4.472 3.095 2.990
166 HB2 TRP 25 1HB TRP 25 -2.595 0.746 3.402
167 HB3 TRP 25 2HB TRP 25 -2.868 2.061 4.547
168 HD1 TRP 25 HD TRP 25 -3.668 -1.303 4.461
169 HE1 TRP 25 1HE TRP 25 -5.875 -1.960 5.518
170 HE3 TRP 25 3HE TRP 25 -5.829 3.335 4.491
171 HZ2 TRP 25 2HZ TRP 25 -8.301 -0.656 6.263
172 HZ3 TRP 25 3HZ TRP 25 -8.143 3.567 5.399
173 HH2 TRP 25 HH TRP 25 -9.361 1.576 6.279
174 H LEU 26 H LEU 26 -1.972 1.701 0.879
175 HA LEU 26 HA LEU 26 0.098 3.573 1.538
176 HB2 LEU 26 1HB LEU 26 0.417 1.489 0.258
177 HB3 LEU 26 2HB LEU 26 -0.524 2.124 -1.060
178 HG LEU 26 HG LEU 26 1.961 1.961 -1.372
179 HD11 LEU 26 1HD1 LEU 26 2.119 3.914 -2.748
180 HD12 LEU 26 2HD1 LEU 26 0.839 4.736 -1.843
181 HD13 LEU 26 3HD1 LEU 26 0.453 3.310 -2.838
182 HD21 LEU 26 3HD2 LEU 26 2.698 2.831 0.751
183 HD22 LEU 26 1HD2 LEU 26 1.992 4.418 0.366
184 HD23 LEU 26 2HD2 LEU 26 3.344 3.788 -0.595
185 H ASN 27 H ASN 27 -2.528 3.601 -0.879
186 HA ASN 27 HA ASN 27 -1.856 6.111 -2.057
187 HB2 ASN 27 1HB ASN 27 -3.399 4.468 -3.078
188 HB3 ASN 27 2HB ASN 27 -4.552 4.725 -1.761
189 HD21 ASN 27 2HD2 ASN 27 -2.625 6.978 -3.768
190 HD22 ASN 27 1HD2 ASN 27 -4.004 7.903 -4.301
191 H GLU 28 H GLU 28 -4.005 5.299 0.691
192 HA GLU 28 HA GLU 28 -4.956 8.001 1.020
193 HB2 GLU 28 1HB GLU 28 -4.904 5.559 2.806
194 HB3 GLU 28 2HB GLU 28 -5.592 7.102 3.335
195 HG2 GLU 28 1HG GLU 28 -7.284 7.049 1.661
196 HG3 GLU 28 2HG GLU 28 -6.489 5.734 0.789
197 H ALA 29 H ALA 29 -2.130 6.249 2.255
198 HA ALA 29 HA ALA 29 -1.463 8.285 4.216
199 HB1 ALA 29 3HB ALA 29 -0.709 5.980 4.492
200 HB2 ALA 29 1HB ALA 29 0.174 6.049 2.950
201 HB3 ALA 29 2HB ALA 29 0.700 7.053 4.325
202 H GLY 30 H GLY 30 -1.088 7.976 0.781
203 HA2 GLY 30 1HA GLY 30 -0.425 9.645 -0.674
204 HA3 GLY 30 2HA GLY 30 0.108 10.622 0.695
205 H VAL 31 H VAL 31 1.619 7.680 1.072
206 HA VAL 31 HA VAL 31 4.164 8.746 0.327
207 HB VAL 31 HB VAL 31 3.766 5.776 0.578
208 HG11 VAL 31 1HG1 VAL 31 5.842 7.696 1.682
209 HG12 VAL 31 2HG1 VAL 31 5.883 5.926 1.817
210 HG13 VAL 31 3HG1 VAL 31 6.008 6.692 0.221
211 HG21 VAL 31 3HG2 VAL 31 3.887 6.026 3.096
212 HG22 VAL 31 1HG2 VAL 31 3.413 7.722 2.868
213 HG23 VAL 31 2HG2 VAL 31 2.331 6.399 2.344
214 H GLY 32 H GLY 32 5.293 8.454 -1.479
215 HA2 GLY 32 1HA GLY 32 3.990 7.557 -3.883
216 HA3 GLY 32 2HA GLY 32 5.732 7.882 -3.708
217 H LEU 33 H LEU 33 4.122 5.578 -4.936
218 HA LEU 33 HA LEU 33 4.694 3.250 -3.305
219 HB2 LEU 33 1HB LEU 33 2.950 3.343 -5.092
220 HB3 LEU 33 2HB LEU 33 4.217 3.557 -6.295
221 HG LEU 33 HG LEU 33 5.086 1.286 -5.757
222 HD11 LEU 33 1HD1 LEU 33 2.605 1.140 -4.005
223 HD12 LEU 33 2HD1 LEU 33 4.297 1.039 -3.462
224 HD13 LEU 33 3HD1 LEU 33 3.618 -0.245 -4.473
225 HD21 LEU 33 3HD2 LEU 33 2.139 1.411 -6.513
226 HD22 LEU 33 1HD2 LEU 33 3.256 0.070 -6.864
227 HD23 LEU 33 2HD2 LEU 33 3.513 1.657 -7.617
228 H ASP 34 H ASP 34 6.516 1.896 -3.402
229 HA ASP 34 HA ASP 34 8.634 2.729 -5.343
230 HB2 ASP 34 1HB ASP 34 8.977 3.317 -2.832
231 HB3 ASP 34 2HB ASP 34 9.356 1.603 -2.644
232 H HIS 35 H HIS 35 7.704 0.042 -3.102
233 HA HIS 35 HA HIS 35 8.478 -1.816 -5.329
234 HB2 HIS 35 1HB HIS 35 8.225 -2.637 -2.439
235 HB3 HIS 35 2HB HIS 35 8.987 -3.513 -3.756
236 HD1 HIS 35 1HD HIS 35 10.243 -2.439 -0.875
237 HD2 HIS 35 2HD HIS 35 11.010 -1.008 -4.722
238 HE1 HIS 35 1HE HIS 35 12.489 -1.261 -0.771
239 H GLU 36 H GLU 36 7.090 -3.569 -5.762
240 HA GLU 36 HA GLU 36 4.388 -3.442 -4.470
241 HB2 GLU 36 1HB GLU 36 5.388 -4.933 -6.939
242 HB3 GLU 36 2HB GLU 36 3.786 -5.140 -6.213
243 HG2 GLU 36 1HG GLU 36 3.314 -2.729 -6.635
244 HG3 GLU 36 2HG GLU 36 4.881 -2.585 -7.444
245 H GLY 37 H GLY 37 3.850 -5.392 -3.272
246 HA2 GLY 37 1HA GLY 37 4.462 -7.439 -2.226
247 HA3 GLY 37 2HA GLY 37 6.142 -7.234 -2.782
248 H GLU 38 H GLU 38 5.701 -7.788 -0.126
249 HA GLU 38 HA GLU 38 5.518 -5.231 1.325
250 HB2 GLU 38 1HB GLU 38 5.852 -6.983 3.298
251 HB3 GLU 38 2HB GLU 38 4.293 -6.695 2.530
252 HG2 GLU 38 1HG GLU 38 4.498 -8.702 1.190
253 HG3 GLU 38 2HG GLU 38 6.138 -8.975 1.784
254 H CYS 39 H CYS 39 6.969 -4.553 2.900
255 HA CYS 39 HA CYS 39 9.810 -5.460 2.567
256 HB2 CYS 39 1HB CYS 39 8.583 -2.831 3.521
257 HB3 CYS 39 2HB CYS 39 10.290 -3.231 3.692
258 H LEU 40 H LEU 40 10.910 -4.867 4.861
259 HA LEU 40 HA LEU 40 9.108 -5.728 7.077
260 HB2 LEU 40 1HB LEU 40 10.788 -7.471 6.260
261 HB3 LEU 40 2HB LEU 40 12.067 -6.370 6.729
262 HG LEU 40 HG LEU 40 11.710 -8.267 8.268
263 HD11 LEU 40 1HD1 LEU 40 11.885 -7.040 10.333
264 HD12 LEU 40 2HD1 LEU 40 11.130 -5.605 9.599
265 HD13 LEU 40 3HD1 LEU 40 12.731 -6.147 9.050
266 HD21 LEU 40 3HD2 LEU 40 9.789 -8.375 9.730
267 HD22 LEU 40 1HD2 LEU 40 9.231 -8.378 8.045
268 HD23 LEU 40 2HD2 LEU 40 9.105 -6.895 9.020
Start of MODEL 11
1 H1 GLU 1 1H GLU 1 -16.230 13.083 2.423
2 H2 GLU 1 2H GLU 1 -16.430 11.999 3.653
3 H3 GLU 1 3H GLU 1 -14.994 12.783 3.477
4 HA GLU 1 HA GLU 1 -16.124 10.810 1.591
5 HB2 GLU 1 1HB GLU 1 -13.544 12.419 1.574
6 HB3 GLU 1 2HB GLU 1 -13.809 10.994 0.563
7 HG2 GLU 1 1HG GLU 1 -15.696 12.108 -0.551
8 HG3 GLU 1 2HG GLU 1 -15.457 13.543 0.462
9 H ALA 2 H ALA 2 -14.741 8.833 1.459
10 HA ALA 2 HA ALA 2 -12.921 8.332 3.700
11 HB1 ALA 2 3HB ALA 2 -15.148 7.800 4.722
12 HB2 ALA 2 1HB ALA 2 -15.522 6.741 3.337
13 HB3 ALA 2 2HB ALA 2 -14.199 6.321 4.448
14 H ALA 3 H ALA 3 -11.967 6.072 3.249
15 HA ALA 3 HA ALA 3 -11.372 5.844 0.443
16 HB1 ALA 3 3HB ALA 3 -9.767 5.198 2.227
17 HB2 ALA 3 1HB ALA 3 -10.862 3.879 2.723
18 HB3 ALA 3 2HB ALA 3 -10.093 3.847 1.119
19 H VAL 4 H VAL 4 -12.067 4.345 -1.034
20 HA VAL 4 HA VAL 4 -14.585 2.906 -0.361
21 HB VAL 4 HB VAL 4 -15.059 2.989 -2.803
22 HG11 VAL 4 1HG1 VAL 4 -14.421 5.734 -1.621
23 HG12 VAL 4 2HG1 VAL 4 -15.575 5.383 -2.929
24 HG13 VAL 4 3HG1 VAL 4 -15.885 4.780 -1.288
25 HG21 VAL 4 3HG2 VAL 4 -13.689 4.355 -4.311
26 HG22 VAL 4 1HG2 VAL 4 -12.556 4.742 -3.000
27 HG23 VAL 4 2HG2 VAL 4 -12.688 3.073 -3.610
28 H CYS 5 H CYS 5 -11.407 2.289 -0.535
29 HA CYS 5 HA CYS 5 -11.401 0.081 -2.427
30 HB2 CYS 5 1HB CYS 5 -9.354 1.023 -0.381
31 HB3 CYS 5 2HB CYS 5 -9.052 -0.146 -1.679
32 H THR 6 H THR 6 -11.285 -2.080 -2.033
33 HA THR 6 HA THR 6 -12.516 -3.019 0.408
34 HB THR 6 HB THR 6 -12.266 -5.247 -0.728
35 HG1 THR 6 1HG THR 6 -11.457 -5.075 -2.947
36 HG21 THR 6 1HG2 THR 6 -14.201 -3.725 -1.243
37 HG22 THR 6 2HG2 THR 6 -13.762 -4.806 -2.581
38 HG23 THR 6 3HG2 THR 6 -13.279 -3.098 -2.629
39 H THR 7 H THR 7 -11.620 -5.066 1.436
40 HA THR 7 HA THR 7 -8.989 -4.494 2.518
41 HB THR 7 HB THR 7 -9.517 -6.600 3.873
42 HG1 THR 7 1HG THR 7 -11.466 -7.554 3.524
43 HG21 THR 7 1HG2 THR 7 -11.713 -4.483 3.827
44 HG22 THR 7 2HG2 THR 7 -10.145 -4.306 4.652
45 HG23 THR 7 3HG2 THR 7 -11.292 -5.555 5.179
46 H GLU 8 H GLU 8 -9.160 -5.327 -0.351
47 HA GLU 8 HA GLU 8 -8.252 -7.998 -0.721
48 HB2 GLU 8 1HB GLU 8 -9.008 -6.449 -2.533
49 HB3 GLU 8 2HB GLU 8 -7.552 -5.481 -2.284
50 HG2 GLU 8 1HG GLU 8 -6.175 -7.491 -2.907
51 HG3 GLU 8 2HG GLU 8 -7.679 -8.340 -3.298
52 H TRP 9 H TRP 9 -6.336 -8.986 -0.298
53 HA TRP 9 HA TRP 9 -4.162 -7.464 0.915
54 HB2 TRP 9 1HB TRP 9 -4.722 -9.759 1.643
55 HB3 TRP 9 2HB TRP 9 -4.345 -10.372 0.031
56 HD1 TRP 9 HD TRP 9 -1.995 -11.417 -0.095
57 HE1 TRP 9 1HE TRP 9 0.240 -11.197 1.068
58 HE3 TRP 9 3HE TRP 9 -3.192 -7.504 2.977
59 HZ2 TRP 9 2HZ TRP 9 1.410 -9.505 3.034
60 HZ3 TRP 9 3HZ TRP 9 -1.407 -6.579 4.457
61 HH2 TRP 9 HH TRP 9 0.869 -7.589 4.495
62 H ASP 10 H ASP 10 -3.151 -6.100 -0.447
63 HA ASP 10 HA ASP 10 -1.787 -7.335 -2.818
64 HB2 ASP 10 1HB ASP 10 -3.748 -6.108 -3.688
65 HB3 ASP 10 2HB ASP 10 -3.307 -4.682 -2.740
66 HA PRO 11 HA PRO 11 0.534 -4.916 0.345
67 HB2 PRO 11 1HB PRO 11 2.756 -6.523 0.613
68 HB3 PRO 11 2HB PRO 11 1.227 -6.767 1.510
69 HG2 PRO 11 1HG PRO 11 2.154 -8.124 -1.004
70 HG3 PRO 11 2HG PRO 11 1.484 -8.835 0.474
71 HD2 PRO 11 1HD PRO 11 -0.059 -8.414 -1.672
72 HD3 PRO 11 2HD PRO 11 -0.683 -8.106 -0.008
73 H VAL 12 H VAL 12 1.906 -3.353 0.064
74 HA VAL 12 HA VAL 12 3.941 -3.491 -2.096
75 HB VAL 12 HB VAL 12 3.338 -1.160 -2.765
76 HG11 VAL 12 1HG1 VAL 12 2.572 -3.124 -4.101
77 HG12 VAL 12 2HG1 VAL 12 1.042 -3.111 -3.195
78 HG13 VAL 12 3HG1 VAL 12 1.477 -1.735 -4.228
79 HG21 VAL 12 3HG2 VAL 12 0.758 -1.623 -1.216
80 HG22 VAL 12 1HG2 VAL 12 2.075 -0.537 -0.710
81 HG23 VAL 12 2HG2 VAL 12 1.177 -0.202 -2.197
82 H CYS 13 H CYS 13 5.564 -1.735 -1.754
83 HA CYS 13 HA CYS 13 5.650 -0.908 1.128
84 HB2 CYS 13 1HB CYS 13 7.246 -2.750 0.464
85 HB3 CYS 13 2HB CYS 13 7.967 -1.609 -0.671
86 H GLY 14 H GLY 14 5.784 1.222 1.431
87 HA2 GLY 14 1HA GLY 14 6.058 2.931 -0.962
88 HA3 GLY 14 2HA GLY 14 5.606 3.446 0.670
89 H LYS 15 H LYS 15 7.304 5.008 -0.657
90 HA LYS 15 HA LYS 15 10.093 4.451 -0.224
91 HB2 LYS 15 1HB LYS 15 8.477 6.969 -0.667
92 HB3 LYS 15 2HB LYS 15 10.224 7.025 -0.369
93 HG2 LYS 15 1HG LYS 15 10.655 5.624 -2.264
94 HG3 LYS 15 2HG LYS 15 8.939 5.376 -2.563
95 HD2 LYS 15 1HD LYS 15 8.639 7.565 -3.336
96 HD3 LYS 15 2HD LYS 15 10.149 8.136 -2.599
97 HE2 LYS 15 1HE LYS 15 10.212 7.811 -5.131
98 HE3 LYS 15 2HE LYS 15 11.502 7.028 -4.204
99 HZ1 LYS 15 3HZ LYS 15 10.511 4.931 -4.491
100 HZ2 LYS 15 1HZ LYS 15 10.465 5.635 -5.979
101 HZ3 LYS 15 2HZ LYS 15 9.089 5.545 -5.072
102 H ASP 16 H ASP 16 7.634 5.104 1.997
103 HA ASP 16 HA ASP 16 9.231 6.366 4.074
104 HB2 ASP 16 1HB ASP 16 6.650 6.359 3.698
105 HB3 ASP 16 2HB ASP 16 6.682 4.754 4.434
106 H GLY 17 H GLY 17 9.345 3.328 2.660
107 HA2 GLY 17 1HA GLY 17 10.583 1.473 3.292
108 HA3 GLY 17 2HA GLY 17 10.903 2.249 4.852
109 H LYS 18 H LYS 18 7.588 2.050 3.926
110 HA LYS 18 HA LYS 18 7.236 -0.169 5.900
111 HB2 LYS 18 1HB LYS 18 5.654 2.405 5.615
112 HB3 LYS 18 2HB LYS 18 5.232 1.084 6.717
113 HG2 LYS 18 1HG LYS 18 7.163 1.458 8.072
114 HG3 LYS 18 2HG LYS 18 7.940 2.433 6.822
115 HD2 LYS 18 1HD LYS 18 6.041 4.079 7.084
116 HD3 LYS 18 2HD LYS 18 5.629 3.224 8.582
117 HE2 LYS 18 1HE LYS 18 7.779 3.729 9.547
118 HE3 LYS 18 2HE LYS 18 8.443 4.212 7.973
119 HZ1 LYS 18 3HZ LYS 18 6.360 5.698 9.451
120 HZ2 LYS 18 1HZ LYS 18 6.961 6.108 7.967
121 HZ3 LYS 18 2HZ LYS 18 7.944 6.140 9.290
122 H THR 19 H THR 19 5.586 -1.556 5.666
123 HA THR 19 HA THR 19 4.586 -1.955 2.963
124 HB THR 19 HB THR 19 4.032 -3.455 5.573
125 HG1 THR 19 1HG THR 19 6.045 -4.037 5.150
126 HG21 THR 19 1HG2 THR 19 2.251 -3.934 3.967
127 HG22 THR 19 2HG2 THR 19 3.351 -5.318 4.064
128 HG23 THR 19 3HG2 THR 19 3.449 -4.208 2.676
129 H TYR 20 H TYR 20 2.619 -1.551 2.174
130 HA TYR 20 HA TYR 20 0.470 -0.701 4.090
131 HB2 TYR 20 1HB TYR 20 1.050 0.152 1.238
132 HB3 TYR 20 2HB TYR 20 -0.514 0.417 2.027
133 HD1 TYR 20 2HD TYR 20 3.133 1.273 2.205
134 HD2 TYR 20 1HD TYR 20 -0.819 2.149 3.662
135 HE1 TYR 20 2HE TYR 20 4.001 3.325 3.335
136 HE2 TYR 20 1HE TYR 20 0.059 4.196 4.789
137 HH TYR 20 HH TYR 20 3.494 5.117 4.714
138 H SER 21 H SER 21 -1.417 -1.867 3.946
139 HA SER 21 HA SER 21 -1.123 -4.538 3.114
140 HB2 SER 21 1HB SER 21 -3.671 -4.591 3.512
141 HB3 SER 21 2HB SER 21 -2.619 -4.125 4.868
142 HG SER 21 HG SER 21 -4.277 -2.639 4.736
143 H ASN 22 H ASN 22 -3.255 -2.044 1.626
144 HA ASN 22 HA ASN 22 -2.864 -3.521 -0.908
145 HB2 ASN 22 1HB ASN 22 -4.926 -2.556 -1.811
146 HB3 ASN 22 2HB ASN 22 -5.200 -3.632 -0.445
147 HD21 ASN 22 2HD2 ASN 22 -7.121 -2.827 0.234
148 HD22 ASN 22 1HD2 ASN 22 -7.282 -1.207 0.865
149 H LEU 23 H LEU 23 -2.778 -2.121 -2.872
150 HA LEU 23 HA LEU 23 -0.884 0.002 -2.576
151 HB2 LEU 23 1HB LEU 23 -1.154 -1.359 -4.609
152 HB3 LEU 23 2HB LEU 23 -2.770 -0.708 -4.842
153 HG LEU 23 HG LEU 23 -1.817 1.530 -5.280
154 HD11 LEU 23 1HD1 LEU 23 0.888 0.138 -5.184
155 HD12 LEU 23 2HD1 LEU 23 0.305 1.346 -4.017
156 HD13 LEU 23 3HD1 LEU 23 0.581 1.808 -5.705
157 HD21 LEU 23 3HD2 LEU 23 -0.907 0.970 -7.496
158 HD22 LEU 23 1HD2 LEU 23 -2.321 -0.029 -7.103
159 HD23 LEU 23 2HD2 LEU 23 -0.686 -0.720 -6.982
160 H CYS 24 H CYS 24 -4.377 -0.039 -2.385
161 HA CYS 24 HA CYS 24 -4.836 2.710 -3.035
162 HB2 CYS 24 1HB CYS 24 -6.598 0.982 -2.925
163 HB3 CYS 24 2HB CYS 24 -6.395 0.886 -1.179
164 H TRP 25 H TRP 25 -4.226 1.062 0.132
165 HA TRP 25 HA TRP 25 -4.407 3.499 1.632
166 HB2 TRP 25 1HB TRP 25 -2.950 0.904 2.237
167 HB3 TRP 25 2HB TRP 25 -3.124 2.247 3.376
168 HD1 TRP 25 HD TRP 25 -4.691 -0.920 2.774
169 HE1 TRP 25 1HE TRP 25 -7.082 -1.081 3.619
170 HE3 TRP 25 3HE TRP 25 -5.550 4.085 3.397
171 HZ2 TRP 25 2HZ TRP 25 -9.136 0.724 4.425
172 HZ3 TRP 25 3HZ TRP 25 -7.793 4.818 4.227
173 HH2 TRP 25 HH TRP 25 -9.561 3.135 4.746
174 H LEU 26 H LEU 26 -1.747 2.012 -0.178
175 HA LEU 26 HA LEU 26 0.333 3.708 0.862
176 HB2 LEU 26 1HB LEU 26 0.725 1.683 -0.471
177 HB3 LEU 26 2HB LEU 26 -0.036 2.408 -1.855
178 HG LEU 26 HG LEU 26 2.474 2.151 -1.869
179 HD11 LEU 26 1HD1 LEU 26 1.177 3.528 -3.489
180 HD12 LEU 26 2HD1 LEU 26 2.816 4.133 -3.186
181 HD13 LEU 26 3HD1 LEU 26 1.431 4.941 -2.439
182 HD21 LEU 26 3HD2 LEU 26 3.788 3.954 -0.911
183 HD22 LEU 26 1HD2 LEU 26 2.966 3.010 0.347
184 HD23 LEU 26 2HD2 LEU 26 2.346 4.611 -0.118
185 H ASN 27 H ASN 27 -1.954 4.032 -1.874
186 HA ASN 27 HA ASN 27 -1.034 6.611 -2.730
187 HB2 ASN 27 1HB ASN 27 -2.356 5.586 -4.327
188 HB3 ASN 27 2HB ASN 27 -3.481 4.926 -3.138
189 HD21 ASN 27 2HD2 ASN 27 -2.624 7.742 -5.028
190 HD22 ASN 27 1HD2 ASN 27 -4.127 8.595 -4.772
191 H GLU 28 H GLU 28 -3.584 5.626 -0.415
192 HA GLU 28 HA GLU 28 -4.604 8.272 -0.009
193 HB2 GLU 28 1HB GLU 28 -4.621 5.816 1.779
194 HB3 GLU 28 2HB GLU 28 -5.535 7.289 2.116
195 HG2 GLU 28 1HG GLU 28 -5.913 5.758 -0.474
196 HG3 GLU 28 2HG GLU 28 -6.776 5.319 1.003
197 H ALA 29 H ALA 29 -1.878 6.520 1.419
198 HA ALA 29 HA ALA 29 -1.460 8.496 3.521
199 HB1 ALA 29 3HB ALA 29 -0.758 6.197 3.852
200 HB2 ALA 29 1HB ALA 29 0.284 6.263 2.413
201 HB3 ALA 29 2HB ALA 29 0.677 7.249 3.844
202 H GLY 30 H GLY 30 -0.761 8.343 0.144
203 HA2 GLY 30 1HA GLY 30 0.092 10.041 -1.162
204 HA3 GLY 30 2HA GLY 30 0.449 10.968 0.297
205 H VAL 31 H VAL 31 1.805 7.784 0.216
206 HA VAL 31 HA VAL 31 4.476 8.976 -0.049
207 HB VAL 31 HB VAL 31 4.106 6.020 0.239
208 HG11 VAL 31 1HG1 VAL 31 6.020 6.223 1.688
209 HG12 VAL 31 2HG1 VAL 31 6.330 7.110 0.192
210 HG13 VAL 31 3HG1 VAL 31 5.902 7.996 1.677
211 HG21 VAL 31 3HG2 VAL 31 3.830 6.282 2.743
212 HG22 VAL 31 1HG2 VAL 31 3.377 7.976 2.446
213 HG23 VAL 31 2HG2 VAL 31 2.396 6.645 1.778
214 H GLY 32 H GLY 32 5.902 8.334 -1.655
215 HA2 GLY 32 1HA GLY 32 4.701 7.449 -4.155
216 HA3 GLY 32 2HA GLY 32 6.434 7.743 -3.861
217 H LEU 33 H LEU 33 4.913 5.417 -5.098
218 HA LEU 33 HA LEU 33 5.263 3.147 -3.329
219 HB2 LEU 33 1HB LEU 33 3.769 3.158 -5.322
220 HB3 LEU 33 2HB LEU 33 5.172 3.383 -6.361
221 HG LEU 33 HG LEU 33 6.007 1.140 -5.697
222 HD11 LEU 33 1HD1 LEU 33 4.421 -0.401 -4.583
223 HD12 LEU 33 2HD1 LEU 33 3.340 0.973 -4.254
224 HD13 LEU 33 3HD1 LEU 33 4.957 0.903 -3.516
225 HD21 LEU 33 3HD2 LEU 33 4.343 -0.123 -6.996
226 HD22 LEU 33 1HD2 LEU 33 4.667 1.456 -7.737
227 HD23 LEU 33 2HD2 LEU 33 3.171 1.203 -6.806
228 H ASP 34 H ASP 34 7.096 1.807 -3.133
229 HA ASP 34 HA ASP 34 9.448 2.635 -4.795
230 HB2 ASP 34 1HB ASP 34 9.400 3.136 -2.199
231 HB3 ASP 34 2HB ASP 34 9.820 1.429 -2.067
232 H HIS 35 H HIS 35 8.268 -0.056 -2.703
233 HA HIS 35 HA HIS 35 9.292 -1.898 -4.813
234 HB2 HIS 35 1HB HIS 35 8.835 -2.775 -1.993
235 HB3 HIS 35 2HB HIS 35 9.796 -3.540 -3.250
236 HD1 HIS 35 1HD HIS 35 12.011 -1.957 -4.020
237 HD2 HIS 35 2HD HIS 35 10.295 -1.244 -0.292
238 HE1 HIS 35 1HE HIS 35 13.713 -0.629 -2.676
239 H GLU 36 H GLU 36 8.034 -3.751 -5.357
240 HA GLU 36 HA GLU 36 5.146 -3.548 -4.597
241 HB2 GLU 36 1HB GLU 36 6.611 -5.240 -6.669
242 HB3 GLU 36 2HB GLU 36 4.888 -5.384 -6.290
243 HG2 GLU 36 1HG GLU 36 4.564 -3.016 -6.988
244 HG3 GLU 36 2HG GLU 36 6.268 -2.946 -7.465
245 H GLY 37 H GLY 37 4.280 -5.331 -3.382
246 HA2 GLY 37 1HA GLY 37 4.466 -7.348 -2.176
247 HA3 GLY 37 2HA GLY 37 6.218 -7.377 -2.464
248 H GLU 38 H GLU 38 5.354 -7.855 0.046
249 HA GLU 38 HA GLU 38 5.240 -5.388 1.616
250 HB2 GLU 38 1HB GLU 38 5.536 -7.196 3.515
251 HB3 GLU 38 2HB GLU 38 3.998 -6.993 2.676
252 HG2 GLU 38 1HG GLU 38 4.494 -8.926 1.236
253 HG3 GLU 38 2HG GLU 38 6.049 -9.135 2.049
254 H CYS 39 H CYS 39 6.798 -4.947 3.351
255 HA CYS 39 HA CYS 39 9.556 -5.928 2.828
256 HB2 CYS 39 1HB CYS 39 10.377 -3.605 2.785
257 HB3 CYS 39 2HB CYS 39 9.250 -3.904 1.452
258 H LEU 40 H LEU 40 11.062 -5.074 4.530
259 HA LEU 40 HA LEU 40 9.940 -4.163 7.062
260 HB2 LEU 40 1HB LEU 40 9.597 -6.656 7.168
261 HB3 LEU 40 2HB LEU 40 11.294 -6.883 6.757
262 HG LEU 40 HG LEU 40 11.963 -5.848 8.896
263 HD11 LEU 40 1HD1 LEU 40 10.214 -5.504 10.653
264 HD12 LEU 40 2HD1 LEU 40 8.964 -5.710 9.401
265 HD13 LEU 40 3HD1 LEU 40 10.105 -4.347 9.315
266 HD21 LEU 40 3HD2 LEU 40 11.227 -7.705 10.327
267 HD22 LEU 40 1HD2 LEU 40 11.652 -8.278 8.702
268 HD23 LEU 40 2HD2 LEU 40 9.940 -8.104 9.164
Start of MODEL 12
1 H1 GLU 1 1H GLU 1 -20.405 8.185 -3.295
2 H2 GLU 1 2H GLU 1 -19.099 8.133 -2.291
3 H3 GLU 1 3H GLU 1 -19.033 9.023 -3.682
4 HA GLU 1 HA GLU 1 -19.265 6.977 -5.005
5 HB2 GLU 1 1HB GLU 1 -16.956 7.221 -3.034
6 HB3 GLU 1 2HB GLU 1 -17.002 5.985 -4.288
7 HG2 GLU 1 1HG GLU 1 -15.689 7.609 -5.281
8 HG3 GLU 1 2HG GLU 1 -17.281 7.981 -5.955
9 H ALA 2 H ALA 2 -19.619 4.699 -5.019
10 HA ALA 2 HA ALA 2 -20.866 3.676 -2.615
11 HB1 ALA 2 3HB ALA 2 -21.621 3.004 -4.877
12 HB2 ALA 2 1HB ALA 2 -20.037 2.250 -5.192
13 HB3 ALA 2 2HB ALA 2 -21.105 1.589 -3.933
14 H ALA 3 H ALA 3 -17.748 3.199 -4.253
15 HA ALA 3 HA ALA 3 -16.467 2.374 -1.770
16 HB1 ALA 3 3HB ALA 3 -16.621 0.460 -4.168
17 HB2 ALA 3 1HB ALA 3 -15.595 0.235 -2.731
18 HB3 ALA 3 2HB ALA 3 -17.366 0.177 -2.575
19 H VAL 4 H VAL 4 -14.077 2.283 -2.267
20 HA VAL 4 HA VAL 4 -13.329 3.456 -4.869
21 HB VAL 4 HB VAL 4 -11.656 4.991 -3.690
22 HG11 VAL 4 1HG1 VAL 4 -13.724 5.820 -4.781
23 HG12 VAL 4 2HG1 VAL 4 -14.598 5.629 -3.241
24 HG13 VAL 4 3HG1 VAL 4 -13.260 6.797 -3.368
25 HG21 VAL 4 3HG2 VAL 4 -13.481 4.495 -1.274
26 HG22 VAL 4 1HG2 VAL 4 -11.777 3.991 -1.412
27 HG23 VAL 4 2HG2 VAL 4 -12.190 5.710 -1.381
28 H CYS 5 H CYS 5 -12.399 1.772 -1.988
29 HA CYS 5 HA CYS 5 -9.910 0.849 -3.333
30 HB2 CYS 5 1HB CYS 5 -10.612 1.081 -0.391
31 HB3 CYS 5 2HB CYS 5 -9.149 0.315 -1.020
32 H THR 6 H THR 6 -9.212 -1.318 -2.982
33 HA THR 6 HA THR 6 -11.402 -3.285 -2.740
34 HB THR 6 HB THR 6 -9.463 -4.860 -3.282
35 HG1 THR 6 1HG THR 6 -7.575 -3.780 -4.075
36 HG21 THR 6 1HG2 THR 6 -10.962 -3.964 -5.059
37 HG22 THR 6 2HG2 THR 6 -9.303 -4.229 -5.632
38 HG23 THR 6 3HG2 THR 6 -9.856 -2.582 -5.257
39 H THR 7 H THR 7 -11.188 -5.059 -1.185
40 HA THR 7 HA THR 7 -9.787 -4.194 1.283
41 HB THR 7 HB THR 7 -11.322 -5.855 2.410
42 HG1 THR 7 1HG THR 7 -12.927 -6.781 1.134
43 HG21 THR 7 1HG2 THR 7 -12.820 -3.863 0.652
44 HG22 THR 7 2HG2 THR 7 -11.989 -3.444 2.170
45 HG23 THR 7 3HG2 THR 7 -13.371 -4.560 2.191
46 H GLU 8 H GLU 8 -9.081 -5.758 -1.195
47 HA GLU 8 HA GLU 8 -8.258 -8.366 -0.259
48 HB2 GLU 8 1HB GLU 8 -7.980 -6.826 -2.814
49 HB3 GLU 8 2HB GLU 8 -6.968 -8.252 -2.535
50 HG2 GLU 8 1HG GLU 8 -8.905 -8.982 -3.698
51 HG3 GLU 8 2HG GLU 8 -9.025 -9.573 -2.046
52 H TRP 9 H TRP 9 -6.412 -9.101 0.403
53 HA TRP 9 HA TRP 9 -4.370 -7.387 1.467
54 HB2 TRP 9 1HB TRP 9 -4.657 -9.609 2.367
55 HB3 TRP 9 2HB TRP 9 -4.483 -10.347 0.775
56 HD1 TRP 9 HD TRP 9 -2.135 -11.303 0.254
57 HE1 TRP 9 1HE TRP 9 0.202 -11.166 1.206
58 HE3 TRP 9 3HE TRP 9 -2.984 -7.555 3.632
59 HZ2 TRP 9 2HZ TRP 9 1.583 -9.592 3.136
60 HZ3 TRP 9 3HZ TRP 9 -1.054 -6.734 4.986
61 HH2 TRP 9 HH TRP 9 1.204 -7.753 4.746
62 H ASP 10 H ASP 10 -3.175 -6.102 0.242
63 HA ASP 10 HA ASP 10 -1.972 -7.180 -2.269
64 HB2 ASP 10 1HB ASP 10 -4.028 -5.865 -2.831
65 HB3 ASP 10 2HB ASP 10 -3.378 -4.495 -1.939
66 HA PRO 11 HA PRO 11 0.645 -4.977 0.818
67 HB2 PRO 11 1HB PRO 11 2.879 -6.606 0.690
68 HB3 PRO 11 2HB PRO 11 1.484 -6.891 1.775
69 HG2 PRO 11 1HG PRO 11 2.043 -8.119 -0.913
70 HG3 PRO 11 2HG PRO 11 1.551 -8.902 0.604
71 HD2 PRO 11 1HD PRO 11 -0.236 -8.345 -1.311
72 HD3 PRO 11 2HD PRO 11 -0.643 -8.111 0.430
73 H VAL 12 H VAL 12 1.840 -3.335 0.383
74 HA VAL 12 HA VAL 12 3.627 -3.334 -1.993
75 HB VAL 12 HB VAL 12 2.807 -0.998 -2.502
76 HG11 VAL 12 1HG1 VAL 12 0.880 -1.689 -3.835
77 HG12 VAL 12 2HG1 VAL 12 2.124 -2.953 -3.878
78 HG13 VAL 12 3HG1 VAL 12 0.687 -3.153 -2.849
79 HG21 VAL 12 3HG2 VAL 12 0.409 -1.771 -0.794
80 HG22 VAL 12 1HG2 VAL 12 1.661 -0.592 -0.332
81 HG23 VAL 12 2HG2 VAL 12 0.624 -0.276 -1.730
82 H CYS 13 H CYS 13 5.213 -1.578 -1.788
83 HA CYS 13 HA CYS 13 5.534 -0.677 1.044
84 HB2 CYS 13 1HB CYS 13 6.878 -2.693 0.574
85 HB3 CYS 13 2HB CYS 13 7.610 -1.863 -0.791
86 H GLY 14 H GLY 14 5.836 1.420 1.224
87 HA2 GLY 14 1HA GLY 14 5.992 2.997 -1.233
88 HA3 GLY 14 2HA GLY 14 5.773 3.600 0.411
89 H LYS 15 H LYS 15 7.275 5.101 -1.086
90 HA LYS 15 HA LYS 15 10.097 4.467 -1.097
91 HB2 LYS 15 1HB LYS 15 8.570 7.090 -1.237
92 HB3 LYS 15 2HB LYS 15 10.333 6.971 -1.380
93 HG2 LYS 15 1HG LYS 15 10.055 5.437 -3.275
94 HG3 LYS 15 2HG LYS 15 8.317 5.634 -3.204
95 HD2 LYS 15 1HD LYS 15 8.564 8.034 -3.666
96 HD3 LYS 15 2HD LYS 15 10.330 7.840 -3.727
97 HE2 LYS 15 1HE LYS 15 8.345 6.390 -5.538
98 HE3 LYS 15 2HE LYS 15 9.263 7.840 -5.997
99 HZ1 LYS 15 3HZ LYS 15 10.302 5.753 -6.755
100 HZ2 LYS 15 1HZ LYS 15 10.513 5.263 -5.192
101 HZ3 LYS 15 2HZ LYS 15 11.301 6.598 -5.752
102 H ASP 16 H ASP 16 7.997 5.257 1.459
103 HA ASP 16 HA ASP 16 10.073 6.420 3.183
104 HB2 ASP 16 1HB ASP 16 8.361 6.399 4.908
105 HB3 ASP 16 2HB ASP 16 7.680 7.074 3.422
106 H GLY 17 H GLY 17 9.588 3.370 1.973
107 HA2 GLY 17 1HA GLY 17 10.639 1.414 2.581
108 HA3 GLY 17 2HA GLY 17 11.252 2.209 4.036
109 H LYS 18 H LYS 18 7.789 2.359 3.581
110 HA LYS 18 HA LYS 18 7.569 0.241 5.683
111 HB2 LYS 18 1HB LYS 18 5.777 2.662 5.314
112 HB3 LYS 18 2HB LYS 18 5.679 1.461 6.606
113 HG2 LYS 18 1HG LYS 18 7.976 3.408 6.142
114 HG3 LYS 18 2HG LYS 18 6.741 3.550 7.396
115 HD2 LYS 18 1HD LYS 18 7.560 1.549 8.519
116 HD3 LYS 18 2HD LYS 18 8.666 1.199 7.181
117 HE2 LYS 18 1HE LYS 18 9.806 3.391 7.613
118 HE3 LYS 18 2HE LYS 18 8.836 3.526 9.102
119 HZ1 LYS 18 3HZ LYS 18 11.002 2.487 9.506
120 HZ2 LYS 18 1HZ LYS 18 10.668 1.281 8.432
121 HZ3 LYS 18 2HZ LYS 18 9.792 1.410 9.823
122 H THR 19 H THR 19 5.994 -1.184 5.678
123 HA THR 19 HA THR 19 4.837 -1.831 3.075
124 HB THR 19 HB THR 19 4.683 -3.214 5.797
125 HG1 THR 19 1HG THR 19 6.428 -4.337 5.118
126 HG21 THR 19 1HG2 THR 19 4.090 -5.219 4.462
127 HG22 THR 19 2HG2 THR 19 3.986 -4.202 3.004
128 HG23 THR 19 3HG2 THR 19 2.853 -3.957 4.356
129 H TYR 20 H TYR 20 2.789 -1.556 2.482
130 HA TYR 20 HA TYR 20 0.792 -0.808 4.590
131 HB2 TYR 20 1HB TYR 20 1.015 0.009 1.678
132 HB3 TYR 20 2HB TYR 20 -0.420 0.289 2.677
133 HD1 TYR 20 2HD TYR 20 3.149 1.226 2.171
134 HD2 TYR 20 1HD TYR 20 -0.413 1.920 4.467
135 HE1 TYR 20 2HE TYR 20 4.180 3.281 3.147
136 HE2 TYR 20 1HE TYR 20 0.614 3.980 5.435
137 HH TYR 20 HH TYR 20 2.440 5.336 5.495
138 H SER 21 H SER 21 -1.061 -2.027 4.633
139 HA SER 21 HA SER 21 -0.778 -4.697 3.739
140 HB2 SER 21 1HB SER 21 -3.269 -4.806 4.422
141 HB3 SER 21 2HB SER 21 -2.086 -4.340 5.664
142 HG SER 21 HG SER 21 -3.809 -2.901 5.714
143 H ASN 22 H ASN 22 -3.112 -2.200 2.602
144 HA ASN 22 HA ASN 22 -3.010 -3.591 -0.018
145 HB2 ASN 22 1HB ASN 22 -5.195 -2.659 -0.614
146 HB3 ASN 22 2HB ASN 22 -5.272 -3.769 0.753
147 HD21 ASN 22 2HD2 ASN 22 -7.394 -2.596 0.920
148 HD22 ASN 22 1HD2 ASN 22 -7.400 -1.154 1.908
149 H LEU 23 H LEU 23 -3.341 -2.091 -1.901
150 HA LEU 23 HA LEU 23 -1.454 0.051 -1.884
151 HB2 LEU 23 1HB LEU 23 -2.198 -1.259 -3.868
152 HB3 LEU 23 2HB LEU 23 -3.775 -0.487 -3.762
153 HG LEU 23 HG LEU 23 -2.706 1.712 -4.248
154 HD11 LEU 23 1HD1 LEU 23 -0.410 1.765 -5.149
155 HD12 LEU 23 2HD1 LEU 23 -0.203 0.047 -4.746
156 HD13 LEU 23 3HD1 LEU 23 -0.413 1.250 -3.453
157 HD21 LEU 23 3HD2 LEU 23 -3.718 0.350 -6.019
158 HD22 LEU 23 1HD2 LEU 23 -2.176 -0.504 -6.263
159 HD23 LEU 23 2HD2 LEU 23 -2.305 1.233 -6.631
160 H CYS 24 H CYS 24 -4.827 -0.091 -0.969
161 HA CYS 24 HA CYS 24 -5.528 2.638 -1.364
162 HB2 CYS 24 1HB CYS 24 -7.072 0.724 -0.765
163 HB3 CYS 24 2HB CYS 24 -6.457 0.829 0.883
164 H TRP 25 H TRP 25 -4.203 0.975 1.588
165 HA TRP 25 HA TRP 25 -4.084 3.446 3.046
166 HB2 TRP 25 1HB TRP 25 -2.619 0.820 3.448
167 HB3 TRP 25 2HB TRP 25 -2.538 2.196 4.560
168 HD1 TRP 25 HD TRP 25 -4.416 -0.892 4.170
169 HE1 TRP 25 1HE TRP 25 -6.601 -0.913 5.468
170 HE3 TRP 25 3HE TRP 25 -4.690 4.119 5.160
171 HZ2 TRP 25 2HZ TRP 25 -8.286 0.997 6.752
172 HZ3 TRP 25 3HZ TRP 25 -6.655 4.979 6.449
173 HH2 TRP 25 HH TRP 25 -8.436 3.417 7.232
174 H LEU 26 H LEU 26 -1.854 1.928 0.763
175 HA LEU 26 HA LEU 26 0.417 3.591 1.395
176 HB2 LEU 26 1HB LEU 26 0.514 1.556 0.021
177 HB3 LEU 26 2HB LEU 26 -0.475 2.295 -1.202
178 HG LEU 26 HG LEU 26 1.959 1.985 -1.712
179 HD11 LEU 26 1HD1 LEU 26 0.988 4.841 -2.000
180 HD12 LEU 26 2HD1 LEU 26 0.431 3.482 -3.003
181 HD13 LEU 26 3HD1 LEU 26 2.136 3.974 -3.033
182 HD21 LEU 26 3HD2 LEU 26 2.288 4.379 0.104
183 HD22 LEU 26 1HD2 LEU 26 3.522 3.700 -0.976
184 HD23 LEU 26 2HD2 LEU 26 2.914 2.738 0.386
185 H ASN 27 H ASN 27 -2.336 3.922 -0.875
186 HA ASN 27 HA ASN 27 -1.535 6.462 -1.925
187 HB2 ASN 27 1HB ASN 27 -3.160 5.011 -3.052
188 HB3 ASN 27 2HB ASN 27 -4.282 5.179 -1.696
189 HD21 ASN 27 2HD2 ASN 27 -2.515 7.128 -4.099
190 HD22 ASN 27 1HD2 ASN 27 -3.778 8.321 -4.270
191 H GLU 28 H GLU 28 -3.729 5.606 0.795
192 HA GLU 28 HA GLU 28 -4.524 8.312 1.316
193 HB2 GLU 28 1HB GLU 28 -4.359 5.896 3.156
194 HB3 GLU 28 2HB GLU 28 -5.100 7.438 3.598
195 HG2 GLU 28 1HG GLU 28 -6.023 5.583 1.382
196 HG3 GLU 28 2HG GLU 28 -6.817 5.841 2.935
197 H ALA 29 H ALA 29 -1.684 6.434 2.308
198 HA ALA 29 HA ALA 29 -0.831 8.426 4.255
199 HB1 ALA 29 3HB ALA 29 -0.190 6.105 4.525
200 HB2 ALA 29 1HB ALA 29 0.605 6.097 2.935
201 HB3 ALA 29 2HB ALA 29 1.269 7.091 4.257
202 H GLY 30 H GLY 30 -0.769 8.242 0.829
203 HA2 GLY 30 1HA GLY 30 -0.042 9.841 -0.652
204 HA3 GLY 30 2HA GLY 30 0.538 10.801 0.711
205 H VAL 31 H VAL 31 1.813 7.582 0.499
206 HA VAL 31 HA VAL 31 4.437 8.760 -0.087
207 HB VAL 31 HB VAL 31 4.135 5.799 0.221
208 HG11 VAL 31 1HG1 VAL 31 6.038 7.823 1.452
209 HG12 VAL 31 2HG1 VAL 31 6.189 6.051 1.485
210 HG13 VAL 31 3HG1 VAL 31 6.325 6.916 -0.054
211 HG21 VAL 31 3HG2 VAL 31 3.626 7.732 2.510
212 HG22 VAL 31 1HG2 VAL 31 2.584 6.407 1.930
213 HG23 VAL 31 2HG2 VAL 31 4.111 6.033 2.735
214 H GLY 32 H GLY 32 5.586 8.351 -1.913
215 HA2 GLY 32 1HA GLY 32 4.199 7.361 -4.243
216 HA3 GLY 32 2HA GLY 32 5.948 7.694 -4.126
217 H LEU 33 H LEU 33 4.370 5.321 -5.206
218 HA LEU 33 HA LEU 33 4.927 3.092 -3.436
219 HB2 LEU 33 1HB LEU 33 3.195 3.049 -5.210
220 HB3 LEU 33 2HB LEU 33 4.438 3.274 -6.435
221 HG LEU 33 HG LEU 33 5.378 1.047 -5.897
222 HD11 LEU 33 1HD1 LEU 33 4.036 -0.511 -4.516
223 HD12 LEU 33 2HD1 LEU 33 2.980 0.838 -4.039
224 HD13 LEU 33 3HD1 LEU 33 4.691 0.825 -3.558
225 HD21 LEU 33 3HD2 LEU 33 3.551 -0.253 -6.897
226 HD22 LEU 33 1HD2 LEU 33 3.709 1.329 -7.687
227 HD23 LEU 33 2HD2 LEU 33 2.398 1.049 -6.516
228 H ASP 34 H ASP 34 6.741 1.675 -3.492
229 HA ASP 34 HA ASP 34 8.779 2.353 -5.559
230 HB2 ASP 34 1HB ASP 34 9.281 3.153 -3.101
231 HB3 ASP 34 2HB ASP 34 9.766 1.467 -2.879
232 H HIS 35 H HIS 35 7.900 -0.151 -3.083
233 HA HIS 35 HA HIS 35 8.770 -2.129 -5.158
234 HB2 HIS 35 1HB HIS 35 8.581 -2.714 -2.213
235 HB3 HIS 35 2HB HIS 35 9.316 -3.696 -3.471
236 HD1 HIS 35 1HD HIS 35 11.526 -2.431 -4.674
237 HD2 HIS 35 2HD HIS 35 10.361 -1.143 -0.876
238 HE1 HIS 35 1HE HIS 35 13.502 -1.165 -3.698
239 H GLU 36 H GLU 36 7.354 -3.739 -5.748
240 HA GLU 36 HA GLU 36 4.602 -3.630 -4.635
241 HB2 GLU 36 1HB GLU 36 5.965 -5.402 -6.724
242 HB3 GLU 36 2HB GLU 36 4.269 -5.533 -6.248
243 HG2 GLU 36 1HG GLU 36 4.293 -4.333 -8.294
244 HG3 GLU 36 2HG GLU 36 3.956 -3.136 -7.038
245 H GLY 37 H GLY 37 3.930 -5.381 -3.217
246 HA2 GLY 37 1HA GLY 37 4.328 -7.363 -1.988
247 HA3 GLY 37 2HA GLY 37 6.039 -7.332 -2.462
248 H GLU 38 H GLU 38 5.764 -7.767 0.086
249 HA GLU 38 HA GLU 38 5.539 -5.228 1.572
250 HB2 GLU 38 1HB GLU 38 6.093 -7.052 3.480
251 HB3 GLU 38 2HB GLU 38 4.470 -6.714 2.881
252 HG2 GLU 38 1HG GLU 38 4.499 -8.655 1.447
253 HG3 GLU 38 2HG GLU 38 6.196 -8.971 1.834
254 H CYS 39 H CYS 39 7.103 -4.511 3.050
255 HA CYS 39 HA CYS 39 9.924 -5.341 2.445
256 HB2 CYS 39 1HB CYS 39 8.712 -2.750 3.502
257 HB3 CYS 39 2HB CYS 39 10.432 -3.121 3.610
258 H LEU 40 H LEU 40 11.308 -5.051 4.471
259 HA LEU 40 HA LEU 40 9.870 -5.578 7.010
260 HB2 LEU 40 1HB LEU 40 10.576 -7.783 6.067
261 HB3 LEU 40 2HB LEU 40 12.213 -7.161 5.870
262 HG LEU 40 HG LEU 40 12.442 -6.964 8.324
263 HD11 LEU 40 1HD1 LEU 40 9.674 -8.234 8.356
264 HD12 LEU 40 2HD1 LEU 40 10.131 -6.637 8.999
265 HD13 LEU 40 3HD1 LEU 40 10.752 -8.109 9.768
266 HD21 LEU 40 3HD2 LEU 40 12.577 -9.383 8.751
267 HD22 LEU 40 1HD2 LEU 40 13.165 -8.986 7.125
268 HD23 LEU 40 2HD2 LEU 40 11.548 -9.701 7.334
Start of MODEL 13
1 H1 GLU 1 1H GLU 1 -5.687 9.249 -2.691
2 H2 GLU 1 2H GLU 1 -6.002 7.776 -2.024
3 H3 GLU 1 3H GLU 1 -5.171 7.876 -3.447
4 HA GLU 1 HA GLU 1 -8.007 8.545 -2.996
5 HB2 GLU 1 1HB GLU 1 -6.269 8.845 -5.474
6 HB3 GLU 1 2HB GLU 1 -8.035 8.957 -5.477
7 HG2 GLU 1 1HG GLU 1 -7.936 10.910 -3.985
8 HG3 GLU 1 2HG GLU 1 -6.171 10.780 -3.908
9 H ALA 2 H ALA 2 -9.430 6.938 -3.521
10 HA ALA 2 HA ALA 2 -8.742 4.659 -5.204
11 HB1 ALA 2 3HB ALA 2 -9.018 2.955 -3.396
12 HB2 ALA 2 1HB ALA 2 -7.626 3.990 -3.019
13 HB3 ALA 2 2HB ALA 2 -9.172 4.248 -2.178
14 H ALA 3 H ALA 3 -10.974 3.104 -4.097
15 HA ALA 3 HA ALA 3 -13.345 4.736 -4.588
16 HB1 ALA 3 3HB ALA 3 -13.555 2.314 -4.881
17 HB2 ALA 3 1HB ALA 3 -12.932 2.006 -3.246
18 HB3 ALA 3 2HB ALA 3 -14.529 2.767 -3.466
19 H VAL 4 H VAL 4 -12.519 2.982 -1.621
20 HA VAL 4 HA VAL 4 -11.719 5.520 -0.409
21 HB VAL 4 HB VAL 4 -12.792 4.394 1.842
22 HG11 VAL 4 1HG1 VAL 4 -14.510 6.164 1.761
23 HG12 VAL 4 2HG1 VAL 4 -12.932 6.769 1.217
24 HG13 VAL 4 3HG1 VAL 4 -14.196 6.394 0.024
25 HG21 VAL 4 3HG2 VAL 4 -14.062 2.674 0.513
26 HG22 VAL 4 1HG2 VAL 4 -15.131 3.748 1.428
27 HG23 VAL 4 2HG2 VAL 4 -14.931 3.990 -0.319
28 H CYS 5 H CYS 5 -12.259 2.135 0.074
29 HA CYS 5 HA CYS 5 -9.347 1.780 0.073
30 HB2 CYS 5 1HB CYS 5 -10.533 1.292 2.356
31 HB3 CYS 5 2HB CYS 5 -10.992 -0.226 1.572
32 H THR 6 H THR 6 -8.649 -0.313 -0.957
33 HA THR 6 HA THR 6 -10.719 -1.574 -2.669
34 HB THR 6 HB THR 6 -8.655 -2.813 -3.504
35 HG1 THR 6 1HG THR 6 -6.650 -1.823 -3.064
36 HG21 THR 6 1HG2 THR 6 -7.847 -1.038 -4.968
37 HG22 THR 6 2HG2 THR 6 -8.525 0.192 -3.879
38 HG23 THR 6 3HG2 THR 6 -9.607 -0.900 -4.777
39 H THR 7 H THR 7 -10.858 -4.023 -2.121
40 HA THR 7 HA THR 7 -10.096 -4.392 0.723
41 HB THR 7 HB THR 7 -11.777 -6.269 0.689
42 HG1 THR 7 1HG THR 7 -13.003 -6.504 -1.165
43 HG21 THR 7 1HG2 THR 7 -12.450 -3.940 1.356
44 HG22 THR 7 2HG2 THR 7 -13.766 -4.871 0.612
45 HG23 THR 7 3HG2 THR 7 -12.917 -3.632 -0.335
46 H GLU 8 H GLU 8 -8.824 -4.863 -1.962
47 HA GLU 8 HA GLU 8 -8.047 -7.650 -1.902
48 HB2 GLU 8 1HB GLU 8 -7.254 -5.297 -3.594
49 HB3 GLU 8 2HB GLU 8 -6.364 -6.827 -3.657
50 HG2 GLU 8 1HG GLU 8 -7.936 -7.056 -5.331
51 HG3 GLU 8 2HG GLU 8 -8.607 -7.976 -4.001
52 H TRP 9 H TRP 9 -6.456 -8.634 -1.048
53 HA TRP 9 HA TRP 9 -4.482 -7.282 0.651
54 HB2 TRP 9 1HB TRP 9 -5.039 -9.554 1.250
55 HB3 TRP 9 2HB TRP 9 -4.789 -10.120 -0.406
56 HD1 TRP 9 HD TRP 9 -2.434 -11.113 -0.936
57 HE1 TRP 9 1HE TRP 9 -0.191 -11.320 0.212
58 HE3 TRP 9 3HE TRP 9 -3.372 -7.972 2.994
59 HZ2 TRP 9 2HZ TRP 9 1.098 -10.215 2.499
60 HZ3 TRP 9 3HZ TRP 9 -1.530 -7.559 4.635
61 HH2 TRP 9 HH TRP 9 0.677 -8.674 4.385
62 H ASP 10 H ASP 10 -3.160 -5.926 -0.415
63 HA ASP 10 HA ASP 10 -1.712 -6.978 -2.788
64 HB2 ASP 10 1HB ASP 10 -3.704 -5.523 -3.450
65 HB3 ASP 10 2HB ASP 10 -2.896 -4.188 -2.660
66 HA PRO 11 HA PRO 11 0.688 -5.049 0.624
67 HB2 PRO 11 1HB PRO 11 2.798 -6.820 0.638
68 HB3 PRO 11 2HB PRO 11 1.275 -7.082 1.540
69 HG2 PRO 11 1HG PRO 11 2.038 -8.142 -1.185
70 HG3 PRO 11 2HG PRO 11 1.382 -9.018 0.219
71 HD2 PRO 11 1HD PRO 11 -0.206 -8.235 -1.760
72 HD3 PRO 11 2HD PRO 11 -0.739 -8.064 -0.045
73 H VAL 12 H VAL 12 2.118 -3.489 0.410
74 HA VAL 12 HA VAL 12 4.066 -3.505 -1.824
75 HB VAL 12 HB VAL 12 3.336 -1.090 -2.326
76 HG11 VAL 12 1HG1 VAL 12 2.935 -3.049 -3.848
77 HG12 VAL 12 2HG1 VAL 12 1.324 -3.229 -3.118
78 HG13 VAL 12 3HG1 VAL 12 1.743 -1.749 -4.012
79 HG21 VAL 12 3HG2 VAL 12 1.848 -0.805 -0.365
80 HG22 VAL 12 1HG2 VAL 12 1.007 -0.493 -1.892
81 HG23 VAL 12 2HG2 VAL 12 0.734 -2.021 -1.037
82 H CYS 13 H CYS 13 5.625 -1.749 -1.595
83 HA CYS 13 HA CYS 13 5.900 -0.852 1.259
84 HB2 CYS 13 1HB CYS 13 7.479 -2.668 0.290
85 HB3 CYS 13 2HB CYS 13 8.133 -1.364 -0.706
86 H GLY 14 H GLY 14 5.893 1.335 1.459
87 HA2 GLY 14 1HA GLY 14 5.893 2.946 -1.005
88 HA3 GLY 14 2HA GLY 14 5.592 3.519 0.641
89 H LYS 15 H LYS 15 7.161 5.023 -1.054
90 HA LYS 15 HA LYS 15 9.979 4.465 -0.811
91 HB2 LYS 15 1HB LYS 15 8.524 7.103 -1.230
92 HB3 LYS 15 2HB LYS 15 10.265 6.863 -1.378
93 HG2 LYS 15 1HG LYS 15 9.602 4.997 -3.104
94 HG3 LYS 15 2HG LYS 15 8.059 5.834 -3.150
95 HD2 LYS 15 1HD LYS 15 9.294 6.747 -4.933
96 HD3 LYS 15 2HD LYS 15 9.378 7.968 -3.652
97 HE2 LYS 15 1HE LYS 15 11.580 7.710 -4.675
98 HE3 LYS 15 2HE LYS 15 11.643 7.096 -3.014
99 HZ1 LYS 15 3HZ LYS 15 11.276 5.343 -5.375
100 HZ2 LYS 15 1HZ LYS 15 11.583 4.870 -3.821
101 HZ3 LYS 15 2HZ LYS 15 12.743 5.654 -4.687
102 H ASP 16 H ASP 16 7.736 5.526 1.507
103 HA ASP 16 HA ASP 16 9.671 6.899 3.232
104 HB2 ASP 16 1HB ASP 16 7.198 7.426 3.099
105 HB3 ASP 16 2HB ASP 16 6.877 5.850 3.839
106 H GLY 17 H GLY 17 9.409 3.748 2.291
107 HA2 GLY 17 1HA GLY 17 10.387 1.863 3.188
108 HA3 GLY 17 2HA GLY 17 10.871 2.808 4.605
109 H LYS 18 H LYS 18 7.516 2.925 3.800
110 HA LYS 18 HA LYS 18 6.985 1.207 6.179
111 HB2 LYS 18 1HB LYS 18 5.137 3.242 4.893
112 HB3 LYS 18 2HB LYS 18 4.896 2.404 6.426
113 HG2 LYS 18 1HG LYS 18 7.014 4.492 5.807
114 HG3 LYS 18 2HG LYS 18 5.573 4.718 6.800
115 HD2 LYS 18 1HD LYS 18 6.484 2.961 8.377
116 HD3 LYS 18 2HD LYS 18 7.981 2.960 7.426
117 HE2 LYS 18 1HE LYS 18 6.783 5.342 8.903
118 HE3 LYS 18 2HE LYS 18 8.199 4.402 9.403
119 HZ1 LYS 18 3HZ LYS 18 7.959 6.259 7.117
120 HZ2 LYS 18 1HZ LYS 18 9.173 5.144 7.172
121 HZ3 LYS 18 2HZ LYS 18 9.050 6.295 8.352
122 H THR 19 H THR 19 5.763 -0.547 6.069
123 HA THR 19 HA THR 19 5.022 -1.544 3.420
124 HB THR 19 HB THR 19 4.529 -2.894 6.098
125 HG1 THR 19 1HG THR 19 6.743 -3.765 5.620
126 HG21 THR 19 1HG2 THR 19 3.626 -4.056 4.154
127 HG22 THR 19 2HG2 THR 19 5.066 -4.923 4.732
128 HG23 THR 19 3HG2 THR 19 5.172 -3.881 3.289
129 H TYR 20 H TYR 20 3.007 -1.535 2.592
130 HA TYR 20 HA TYR 20 0.744 -0.981 4.486
131 HB2 TYR 20 1HB TYR 20 1.115 -0.209 1.577
132 HB3 TYR 20 2HB TYR 20 -0.399 -0.034 2.465
133 HD1 TYR 20 1HD TYR 20 -0.579 1.599 4.350
134 HD2 TYR 20 2HD TYR 20 3.009 1.305 2.005
135 HE1 TYR 20 1HE TYR 20 0.190 3.782 5.260
136 HE2 TYR 20 2HE TYR 20 3.777 3.495 2.926
137 HH TYR 20 HH TYR 20 3.312 5.228 4.401
138 H SER 21 H SER 21 -0.948 -2.424 4.467
139 HA SER 21 HA SER 21 -0.338 -5.016 3.380
140 HB2 SER 21 1HB SER 21 -2.482 -5.692 4.350
141 HB3 SER 21 2HB SER 21 -1.578 -4.686 5.498
142 HG SER 21 HG SER 21 -3.934 -4.169 4.098
143 H ASN 22 H ASN 22 -2.797 -2.553 2.544
144 HA ASN 22 HA ASN 22 -3.201 -4.030 -0.012
145 HB2 ASN 22 1HB ASN 22 -5.015 -1.851 0.986
146 HB3 ASN 22 2HB ASN 22 -5.301 -3.000 -0.311
147 HD21 ASN 22 2HD2 ASN 22 -7.360 -3.037 1.075
148 HD22 ASN 22 1HD2 ASN 22 -7.425 -4.280 2.301
149 H LEU 23 H LEU 23 -3.420 -2.650 -1.872
150 HA LEU 23 HA LEU 23 -1.438 -0.552 -2.047
151 HB2 LEU 23 1HB LEU 23 -2.189 -2.048 -3.926
152 HB3 LEU 23 2HB LEU 23 -3.735 -1.210 -3.926
153 HG LEU 23 HG LEU 23 -2.524 0.900 -4.521
154 HD11 LEU 23 1HD1 LEU 23 -0.155 -0.963 -4.865
155 HD12 LEU 23 2HD1 LEU 23 -0.281 0.380 -3.703
156 HD13 LEU 23 3HD1 LEU 23 -0.236 0.716 -5.442
157 HD21 LEU 23 3HD2 LEU 23 -3.633 -0.470 -6.213
158 HD22 LEU 23 1HD2 LEU 23 -2.172 -1.473 -6.387
159 HD23 LEU 23 2HD2 LEU 23 -2.148 0.239 -6.872
160 H CYS 24 H CYS 24 -4.839 -0.788 -1.329
161 HA CYS 24 HA CYS 24 -5.753 1.835 -1.669
162 HB2 CYS 24 1HB CYS 24 -7.410 0.550 -0.923
163 HB3 CYS 24 2HB CYS 24 -6.383 -0.506 -0.000
164 H TRP 25 H TRP 25 -4.185 0.428 1.225
165 HA TRP 25 HA TRP 25 -4.273 2.888 2.649
166 HB2 TRP 25 1HB TRP 25 -2.391 0.547 3.053
167 HB3 TRP 25 2HB TRP 25 -2.748 1.824 4.226
168 HD1 TRP 25 HD TRP 25 -3.668 -1.600 3.643
169 HE1 TRP 25 1HE TRP 25 -5.910 -2.268 4.622
170 HE3 TRP 25 3HE TRP 25 -5.493 3.108 4.468
171 HZ2 TRP 25 2HZ TRP 25 -8.226 -0.941 5.629
172 HZ3 TRP 25 3HZ TRP 25 -7.782 3.345 5.453
173 HH2 TRP 25 HH TRP 25 -9.128 1.325 6.024
174 H LEU 26 H LEU 26 -1.853 1.487 0.461
175 HA LEU 26 HA LEU 26 0.172 3.468 0.939
176 HB2 LEU 26 1HB LEU 26 0.487 1.306 -0.216
177 HB3 LEU 26 2HB LEU 26 -0.496 1.848 -1.546
178 HG LEU 26 HG LEU 26 1.959 1.699 -1.943
179 HD11 LEU 26 1HD1 LEU 26 0.842 4.467 -2.448
180 HD12 LEU 26 2HD1 LEU 26 0.424 3.017 -3.395
181 HD13 LEU 26 3HD1 LEU 26 2.096 3.618 -3.366
182 HD21 LEU 26 3HD2 LEU 26 2.734 2.616 0.161
183 HD22 LEU 26 1HD2 LEU 26 2.060 4.205 -0.270
184 HD23 LEU 26 2HD2 LEU 26 3.389 3.513 -1.224
185 H ASN 27 H ASN 27 -2.549 3.272 -1.403
186 HA ASN 27 HA ASN 27 -1.908 5.740 -2.724
187 HB2 ASN 27 1HB ASN 27 -4.587 4.294 -2.474
188 HB3 ASN 27 2HB ASN 27 -4.242 5.618 -3.591
189 HD21 ASN 27 2HD2 ASN 27 -1.595 4.790 -4.343
190 HD22 ASN 27 1HD2 ASN 27 -1.800 3.362 -5.326
191 H GLU 28 H GLU 28 -3.927 4.998 0.110
192 HA GLU 28 HA GLU 28 -5.123 7.665 0.093
193 HB2 GLU 28 1HB GLU 28 -5.138 5.443 2.160
194 HB3 GLU 28 2HB GLU 28 -6.016 6.966 2.334
195 HG2 GLU 28 1HG GLU 28 -6.484 5.012 0.035
196 HG3 GLU 28 2HG GLU 28 -7.419 5.015 1.533
197 H ALA 29 H ALA 29 -2.340 6.100 1.629
198 HA ALA 29 HA ALA 29 -1.825 8.343 3.415
199 HB1 ALA 29 3HB ALA 29 0.390 7.214 3.702
200 HB2 ALA 29 1HB ALA 29 -0.986 6.118 3.967
201 HB3 ALA 29 2HB ALA 29 -0.075 6.043 2.442
202 H GLY 30 H GLY 30 -1.263 7.622 0.054
203 HA2 GLY 30 1HA GLY 30 -0.631 9.112 -1.594
204 HA3 GLY 30 2HA GLY 30 -0.319 10.331 -0.354
205 H VAL 31 H VAL 31 1.323 7.323 0.116
206 HA VAL 31 HA VAL 31 3.869 8.650 -0.332
207 HB VAL 31 HB VAL 31 3.734 5.680 0.083
208 HG11 VAL 31 1HG1 VAL 31 5.888 6.862 0.002
209 HG12 VAL 31 2HG1 VAL 31 5.383 7.893 1.365
210 HG13 VAL 31 3HG1 VAL 31 5.611 6.145 1.601
211 HG21 VAL 31 3HG2 VAL 31 1.985 6.218 1.589
212 HG22 VAL 31 1HG2 VAL 31 3.443 6.054 2.572
213 HG23 VAL 31 2HG2 VAL 31 2.831 7.676 2.182
214 H GLY 32 H GLY 32 5.278 8.191 -1.936
215 HA2 GLY 32 1HA GLY 32 4.288 7.076 -4.409
216 HA3 GLY 32 2HA GLY 32 5.983 7.494 -4.050
217 H LEU 33 H LEU 33 4.956 5.079 -5.377
218 HA LEU 33 HA LEU 33 5.236 2.885 -3.454
219 HB2 LEU 33 1HB LEU 33 3.770 2.778 -5.466
220 HB3 LEU 33 2HB LEU 33 5.185 2.980 -6.493
221 HG LEU 33 HG LEU 33 6.053 0.784 -5.687
222 HD11 LEU 33 1HD1 LEU 33 4.930 0.637 -3.529
223 HD12 LEU 33 2HD1 LEU 33 4.459 -0.733 -4.544
224 HD13 LEU 33 3HD1 LEU 33 3.338 0.632 -4.326
225 HD21 LEU 33 3HD2 LEU 33 4.439 -0.564 -6.973
226 HD22 LEU 33 1HD2 LEU 33 4.785 0.978 -7.782
227 HD23 LEU 33 2HD2 LEU 33 3.257 0.762 -6.892
228 H ASP 34 H ASP 34 7.095 1.612 -3.156
229 HA ASP 34 HA ASP 34 9.477 2.400 -4.812
230 HB2 ASP 34 1HB ASP 34 9.365 2.947 -2.245
231 HB3 ASP 34 2HB ASP 34 9.739 1.241 -2.036
232 H HIS 35 H HIS 35 8.287 -0.256 -2.671
233 HA HIS 35 HA HIS 35 9.300 -2.157 -4.753
234 HB2 HIS 35 1HB HIS 35 8.779 -2.923 -1.884
235 HB3 HIS 35 2HB HIS 35 9.696 -3.800 -3.101
236 HD1 HIS 35 1HD HIS 35 10.746 -2.785 -0.180
237 HD2 HIS 35 2HD HIS 35 11.599 -1.055 -3.891
238 HE1 HIS 35 1HE HIS 35 12.869 -1.420 0.119
239 H GLU 36 H GLU 36 7.962 -3.848 -5.418
240 HA GLU 36 HA GLU 36 5.104 -3.643 -4.573
241 HB2 GLU 36 1HB GLU 36 6.463 -5.330 -6.722
242 HB3 GLU 36 2HB GLU 36 4.735 -5.351 -6.338
243 HG2 GLU 36 1HG GLU 36 4.615 -2.928 -6.953
244 HG3 GLU 36 2HG GLU 36 6.311 -3.005 -7.455
245 H GLY 37 H GLY 37 4.266 -5.339 -3.287
246 HA2 GLY 37 1HA GLY 37 4.417 -7.444 -2.191
247 HA3 GLY 37 2HA GLY 37 6.164 -7.499 -2.515
248 H GLU 38 H GLU 38 5.252 -7.984 0.030
249 HA GLU 38 HA GLU 38 5.200 -5.545 1.614
250 HB2 GLU 38 1HB GLU 38 5.770 -7.494 3.429
251 HB3 GLU 38 2HB GLU 38 4.145 -7.055 2.905
252 HG2 GLU 38 1HG GLU 38 4.101 -8.908 1.317
253 HG3 GLU 38 2HG GLU 38 5.779 -9.317 1.705
254 H CYS 39 H CYS 39 6.805 -5.094 3.317
255 HA CYS 39 HA CYS 39 9.546 -6.057 2.773
256 HB2 CYS 39 1HB CYS 39 10.406 -3.757 2.723
257 HB3 CYS 39 2HB CYS 39 9.272 -4.020 1.390
258 H LEU 40 H LEU 40 10.982 -5.014 4.564
259 HA LEU 40 HA LEU 40 9.711 -4.190 7.020
260 HB2 LEU 40 1HB LEU 40 10.715 -6.102 8.333
261 HB3 LEU 40 2HB LEU 40 9.271 -6.494 7.419
262 HG LEU 40 HG LEU 40 10.748 -7.593 5.684
263 HD11 LEU 40 1HD1 LEU 40 12.929 -6.646 6.198
264 HD12 LEU 40 2HD1 LEU 40 12.975 -8.390 6.508
265 HD13 LEU 40 3HD1 LEU 40 12.843 -7.245 7.866
266 HD21 LEU 40 3HD2 LEU 40 10.770 -8.652 8.536
267 HD22 LEU 40 1HD2 LEU 40 10.973 -9.624 7.058
268 HD23 LEU 40 2HD2 LEU 40 9.434 -8.799 7.368
Start of MODEL 14
1 H1 GLU 1 1H GLU 1 -15.173 7.697 -6.106
2 H2 GLU 1 2H GLU 1 -15.345 6.359 -5.154
3 H3 GLU 1 3H GLU 1 -16.678 7.113 -5.775
4 HA GLU 1 HA GLU 1 -14.799 8.331 -3.858
5 HB2 GLU 1 1HB GLU 1 -16.005 9.897 -5.385
6 HB3 GLU 1 2HB GLU 1 -17.539 9.271 -4.766
7 HG2 GLU 1 1HG GLU 1 -16.919 10.053 -2.480
8 HG3 GLU 1 2HG GLU 1 -15.399 10.695 -3.124
9 H ALA 2 H ALA 2 -18.146 6.928 -4.223
10 HA ALA 2 HA ALA 2 -18.657 6.826 -1.422
11 HB1 ALA 2 3HB ALA 2 -19.674 5.000 -3.662
12 HB2 ALA 2 1HB ALA 2 -20.379 5.148 -2.036
13 HB3 ALA 2 2HB ALA 2 -20.422 6.535 -3.145
14 H ALA 3 H ALA 3 -16.914 4.747 -3.634
15 HA ALA 3 HA ALA 3 -15.462 3.566 -1.379
16 HB1 ALA 3 3HB ALA 3 -16.733 1.896 -3.628
17 HB2 ALA 3 1HB ALA 3 -15.571 1.290 -2.423
18 HB3 ALA 3 2HB ALA 3 -17.191 1.818 -1.909
19 H VAL 4 H VAL 4 -13.310 2.956 -2.302
20 HA VAL 4 HA VAL 4 -12.891 3.801 -5.103
21 HB VAL 4 HB VAL 4 -10.739 4.997 -4.443
22 HG11 VAL 4 1HG1 VAL 4 -13.288 6.269 -3.367
23 HG12 VAL 4 2HG1 VAL 4 -11.813 7.114 -3.897
24 HG13 VAL 4 3HG1 VAL 4 -12.797 6.227 -5.081
25 HG21 VAL 4 3HG2 VAL 4 -10.569 5.891 -2.123
26 HG22 VAL 4 1HG2 VAL 4 -11.986 4.938 -1.638
27 HG23 VAL 4 2HG2 VAL 4 -10.479 4.125 -2.132
28 H CYS 5 H CYS 5 -11.697 2.130 -2.311
29 HA CYS 5 HA CYS 5 -10.013 0.460 -4.093
30 HB2 CYS 5 1HB CYS 5 -8.547 0.051 -2.200
31 HB3 CYS 5 2HB CYS 5 -8.649 1.771 -2.592
32 H THR 6 H THR 6 -9.753 -1.789 -3.501
33 HA THR 6 HA THR 6 -12.133 -2.935 -2.148
34 HB THR 6 HB THR 6 -11.071 -5.071 -3.025
35 HG1 THR 6 1HG THR 6 -9.430 -4.750 -4.615
36 HG21 THR 6 1HG2 THR 6 -12.862 -3.890 -4.306
37 HG22 THR 6 2HG2 THR 6 -11.700 -4.732 -5.356
38 HG23 THR 6 3HG2 THR 6 -11.597 -2.970 -5.159
39 H THR 7 H THR 7 -11.591 -4.757 -0.589
40 HA THR 7 HA THR 7 -9.369 -3.902 1.154
41 HB THR 7 HB THR 7 -10.499 -5.480 2.796
42 HG1 THR 7 1HG THR 7 -12.446 -6.367 2.162
43 HG21 THR 7 1HG2 THR 7 -12.373 -3.421 1.553
44 HG22 THR 7 2HG2 THR 7 -11.069 -3.040 2.705
45 HG23 THR 7 3HG2 THR 7 -12.432 -4.060 3.210
46 H GLU 8 H GLU 8 -9.140 -5.525 -1.361
47 HA GLU 8 HA GLU 8 -8.380 -8.186 -0.615
48 HB2 GLU 8 1HB GLU 8 -7.576 -8.452 -2.833
49 HB3 GLU 8 2HB GLU 8 -9.029 -7.456 -2.918
50 HG2 GLU 8 1HG GLU 8 -7.432 -5.445 -2.964
51 HG3 GLU 8 2HG GLU 8 -6.150 -6.616 -3.281
52 H TRP 9 H TRP 9 -6.528 -9.038 0.083
53 HA TRP 9 HA TRP 9 -4.482 -7.437 1.275
54 HB2 TRP 9 1HB TRP 9 -4.859 -9.696 2.046
55 HB3 TRP 9 2HB TRP 9 -4.601 -10.354 0.427
56 HD1 TRP 9 HD TRP 9 -2.221 -11.280 -0.020
57 HE1 TRP 9 1HE TRP 9 0.063 -11.178 1.053
58 HE3 TRP 9 3HE TRP 9 -3.272 -7.724 3.508
59 HZ2 TRP 9 2HZ TRP 9 1.336 -9.680 3.107
60 HZ3 TRP 9 3HZ TRP 9 -1.413 -6.956 4.994
61 HH2 TRP 9 HH TRP 9 0.866 -7.933 4.793
62 H ASP 10 H ASP 10 -3.225 -6.108 0.147
63 HA ASP 10 HA ASP 10 -1.914 -7.141 -2.315
64 HB2 ASP 10 1HB ASP 10 -3.949 -5.801 -2.925
65 HB3 ASP 10 2HB ASP 10 -3.277 -4.436 -2.038
66 HA PRO 11 HA PRO 11 0.661 -4.984 0.814
67 HB2 PRO 11 1HB PRO 11 2.874 -6.630 0.742
68 HB3 PRO 11 2HB PRO 11 1.454 -6.908 1.798
69 HG2 PRO 11 1HG PRO 11 2.056 -8.131 -0.878
70 HG3 PRO 11 2HG PRO 11 1.569 -8.918 0.630
71 HD2 PRO 11 1HD PRO 11 -0.220 -8.360 -1.305
72 HD3 PRO 11 2HD PRO 11 -0.648 -8.121 0.427
73 H VAL 12 H VAL 12 1.901 -3.366 0.366
74 HA VAL 12 HA VAL 12 3.717 -3.434 -1.985
75 HB VAL 12 HB VAL 12 2.943 -1.114 -2.574
76 HG11 VAL 12 1HG1 VAL 12 2.208 -3.089 -3.888
77 HG12 VAL 12 2HG1 VAL 12 0.760 -3.214 -2.864
78 HG13 VAL 12 3HG1 VAL 12 1.007 -1.788 -3.894
79 HG21 VAL 12 3HG2 VAL 12 0.764 -0.312 -1.828
80 HG22 VAL 12 1HG2 VAL 12 0.521 -1.765 -0.837
81 HG23 VAL 12 2HG2 VAL 12 1.796 -0.595 -0.418
82 H CYS 13 H CYS 13 5.219 -1.557 -1.840
83 HA CYS 13 HA CYS 13 5.609 -0.695 1.004
84 HB2 CYS 13 1HB CYS 13 7.062 -2.609 0.375
85 HB3 CYS 13 2HB CYS 13 7.670 -1.665 -0.984
86 H GLY 14 H GLY 14 5.894 1.438 1.210
87 HA2 GLY 14 1HA GLY 14 5.877 3.051 -1.252
88 HA3 GLY 14 2HA GLY 14 5.710 3.639 0.408
89 H LYS 15 H LYS 15 7.241 5.126 -1.204
90 HA LYS 15 HA LYS 15 10.000 4.359 -1.323
91 HB2 LYS 15 1HB LYS 15 8.711 7.109 -1.345
92 HB3 LYS 15 2HB LYS 15 10.411 6.791 -1.690
93 HG2 LYS 15 1HG LYS 15 9.326 5.059 -3.438
94 HG3 LYS 15 2HG LYS 15 7.993 6.202 -3.341
95 HD2 LYS 15 1HD LYS 15 9.283 6.948 -5.150
96 HD3 LYS 15 2HD LYS 15 9.715 8.033 -3.818
97 HE2 LYS 15 1HE LYS 15 11.737 7.369 -5.026
98 HE3 LYS 15 2HE LYS 15 11.774 6.663 -3.402
99 HZ1 LYS 15 3HZ LYS 15 10.841 5.131 -5.759
100 HZ2 LYS 15 1HZ LYS 15 11.261 4.543 -4.273
101 HZ3 LYS 15 2HZ LYS 15 12.418 5.143 -5.277
102 H ASP 16 H ASP 16 8.207 5.269 1.429
103 HA ASP 16 HA ASP 16 10.627 6.177 2.887
104 HB2 ASP 16 1HB ASP 16 7.726 5.816 3.721
105 HB3 ASP 16 2HB ASP 16 9.021 6.226 4.856
106 H GLY 17 H GLY 17 9.740 3.308 1.720
107 HA2 GLY 17 1HA GLY 17 10.601 1.243 2.242
108 HA3 GLY 17 2HA GLY 17 11.271 1.905 3.734
109 H LYS 18 H LYS 18 7.975 2.631 3.706
110 HA LYS 18 HA LYS 18 7.608 0.385 5.590
111 HB2 LYS 18 1HB LYS 18 5.893 2.858 5.227
112 HB3 LYS 18 2HB LYS 18 5.698 1.622 6.468
113 HG2 LYS 18 1HG LYS 18 7.901 3.699 6.208
114 HG3 LYS 18 2HG LYS 18 6.802 3.429 7.561
115 HD2 LYS 18 1HD LYS 18 9.148 1.633 6.732
116 HD3 LYS 18 2HD LYS 18 9.112 2.710 8.123
117 HE2 LYS 18 1HE LYS 18 7.547 1.318 9.300
118 HE3 LYS 18 2HE LYS 18 7.145 0.401 7.836
119 HZ1 LYS 18 3HZ LYS 18 8.664 -0.870 9.248
120 HZ2 LYS 18 1HZ LYS 18 9.793 0.329 9.197
121 HZ3 LYS 18 2HZ LYS 18 9.415 -0.510 7.829
122 H THR 19 H THR 19 6.158 -1.094 5.555
123 HA THR 19 HA THR 19 4.917 -1.761 3.019
124 HB THR 19 HB THR 19 4.734 -3.098 5.758
125 HG1 THR 19 1HG THR 19 6.599 -4.061 5.268
126 HG21 THR 19 1HG2 THR 19 4.366 -5.148 4.380
127 HG22 THR 19 2HG2 THR 19 4.242 -4.117 2.934
128 HG23 THR 19 3HG2 THR 19 3.048 -3.972 4.246
129 H TYR 20 H TYR 20 2.849 -1.524 2.451
130 HA TYR 20 HA TYR 20 0.874 -0.858 4.605
131 HB2 TYR 20 1HB TYR 20 1.011 0.019 1.710
132 HB3 TYR 20 2HB TYR 20 -0.416 0.225 2.741
133 HD1 TYR 20 1HD TYR 20 -0.407 1.782 4.622
134 HD2 TYR 20 2HD TYR 20 3.093 1.327 2.176
135 HE1 TYR 20 1HE TYR 20 0.574 3.844 5.632
136 HE2 TYR 20 2HE TYR 20 4.064 3.385 3.178
137 HH TYR 20 HH TYR 20 3.762 5.107 4.670
138 H SER 21 H SER 21 -0.899 -2.147 4.740
139 HA SER 21 HA SER 21 -0.658 -4.776 3.813
140 HB2 SER 21 1HB SER 21 -3.266 -3.437 4.600
141 HB3 SER 21 2HB SER 21 -2.814 -5.146 4.790
142 HG SER 21 HG SER 21 -2.488 -4.145 6.752
143 H ASN 22 H ASN 22 -3.050 -2.329 2.665
144 HA ASN 22 HA ASN 22 -2.889 -3.701 0.045
145 HB2 ASN 22 1HB ASN 22 -5.094 -2.874 -0.575
146 HB3 ASN 22 2HB ASN 22 -5.158 -3.963 0.809
147 HD21 ASN 22 2HD2 ASN 22 -7.328 -2.804 0.810
148 HD22 ASN 22 1HD2 ASN 22 -7.411 -1.374 1.814
149 H LEU 23 H LEU 23 -3.206 -2.184 -1.824
150 HA LEU 23 HA LEU 23 -1.411 0.028 -1.719
151 HB2 LEU 23 1HB LEU 23 -2.077 -1.277 -3.738
152 HB3 LEU 23 2HB LEU 23 -3.675 -0.551 -3.654
153 HG LEU 23 HG LEU 23 -2.647 1.684 -4.089
154 HD11 LEU 23 1HD1 LEU 23 -0.346 1.784 -4.976
155 HD12 LEU 23 2HD1 LEU 23 -0.114 0.065 -4.586
156 HD13 LEU 23 3HD1 LEU 23 -0.356 1.255 -3.285
157 HD21 LEU 23 3HD2 LEU 23 -3.618 0.325 -5.888
158 HD22 LEU 23 1HD2 LEU 23 -2.058 -0.499 -6.127
159 HD23 LEU 23 2HD2 LEU 23 -2.217 1.240 -6.476
160 H CYS 24 H CYS 24 -4.784 -0.255 -0.840
161 HA CYS 24 HA CYS 24 -5.581 2.449 -1.219
162 HB2 CYS 24 1HB CYS 24 -6.975 0.356 -0.588
163 HB3 CYS 24 2HB CYS 24 -6.534 0.735 1.079
164 H TRP 25 H TRP 25 -4.095 0.809 1.649
165 HA TRP 25 HA TRP 25 -4.119 3.266 3.177
166 HB2 TRP 25 1HB TRP 25 -2.539 0.701 3.532
167 HB3 TRP 25 2HB TRP 25 -2.526 2.062 4.667
168 HD1 TRP 25 HD TRP 25 -4.221 -1.116 4.266
169 HE1 TRP 25 1HE TRP 25 -6.411 -1.270 5.546
170 HE3 TRP 25 3HE TRP 25 -4.809 3.868 5.249
171 HZ2 TRP 25 2HZ TRP 25 -8.227 0.535 6.799
172 HZ3 TRP 25 3HZ TRP 25 -6.842 4.608 6.505
173 HH2 TRP 25 HH TRP 25 -8.535 2.943 7.264
174 H LEU 26 H LEU 26 -1.845 1.816 0.881
175 HA LEU 26 HA LEU 26 0.383 3.533 1.483
176 HB2 LEU 26 1HB LEU 26 0.509 1.513 0.084
177 HB3 LEU 26 2HB LEU 26 -0.514 2.243 -1.116
178 HG LEU 26 HG LEU 26 1.899 2.004 -1.685
179 HD11 LEU 26 1HD1 LEU 26 0.337 3.553 -2.884
180 HD12 LEU 26 2HD1 LEU 26 2.047 4.022 -2.947
181 HD13 LEU 26 3HD1 LEU 26 0.943 4.871 -1.853
182 HD21 LEU 26 3HD2 LEU 26 2.240 4.295 0.243
183 HD22 LEU 26 1HD2 LEU 26 3.450 3.729 -0.926
184 HD23 LEU 26 2HD2 LEU 26 2.920 2.656 0.383
185 H ASN 27 H ASN 27 -2.344 3.802 -0.818
186 HA ASN 27 HA ASN 27 -1.612 6.352 -1.865
187 HB2 ASN 27 1HB ASN 27 -3.203 4.888 -2.994
188 HB3 ASN 27 2HB ASN 27 -4.304 4.962 -1.611
189 HD21 ASN 27 2HD2 ASN 27 -2.579 7.261 -3.747
190 HD22 ASN 27 1HD2 ASN 27 -3.960 8.306 -3.965
191 H GLU 28 H GLU 28 -3.759 5.462 0.864
192 HA GLU 28 HA GLU 28 -4.648 8.145 1.364
193 HB2 GLU 28 1HB GLU 28 -4.499 5.640 3.055
194 HB3 GLU 28 2HB GLU 28 -5.142 7.162 3.686
195 HG2 GLU 28 1HG GLU 28 -6.935 7.182 2.124
196 HG3 GLU 28 2HG GLU 28 -6.212 5.889 1.157
197 H ALA 29 H ALA 29 -1.765 6.351 2.398
198 HA ALA 29 HA ALA 29 -1.017 8.356 4.375
199 HB1 ALA 29 3HB ALA 29 0.508 6.069 3.075
200 HB2 ALA 29 1HB ALA 29 1.128 7.078 4.407
201 HB3 ALA 29 2HB ALA 29 -0.306 6.055 4.654
202 H GLY 30 H GLY 30 -0.877 8.185 0.948
203 HA2 GLY 30 1HA GLY 30 -0.174 9.821 -0.508
204 HA3 GLY 30 2HA GLY 30 0.395 10.770 0.868
205 H VAL 31 H VAL 31 1.715 7.585 0.707
206 HA VAL 31 HA VAL 31 4.334 8.746 0.140
207 HB VAL 31 HB VAL 31 3.934 5.772 0.314
208 HG11 VAL 31 1HG1 VAL 31 6.177 6.680 0.014
209 HG12 VAL 31 2HG1 VAL 31 5.982 7.697 1.459
210 HG13 VAL 31 3HG1 VAL 31 6.039 5.927 1.617
211 HG21 VAL 31 3HG2 VAL 31 4.011 5.934 2.835
212 HG22 VAL 31 1HG2 VAL 31 3.565 7.648 2.668
213 HG23 VAL 31 2HG2 VAL 31 2.472 6.363 2.084
214 H GLY 32 H GLY 32 5.479 8.417 -1.697
215 HA2 GLY 32 1HA GLY 32 4.126 7.556 -4.094
216 HA3 GLY 32 2HA GLY 32 5.882 7.826 -3.923
217 H LEU 33 H LEU 33 4.270 5.558 -5.143
218 HA LEU 33 HA LEU 33 4.702 3.237 -3.443
219 HB2 LEU 33 1HB LEU 33 2.976 3.391 -5.220
220 HB3 LEU 33 2HB LEU 33 4.244 3.549 -6.425
221 HG LEU 33 HG LEU 33 4.965 1.240 -5.997
222 HD11 LEU 33 1HD1 LEU 33 3.504 -0.252 -4.668
223 HD12 LEU 33 2HD1 LEU 33 2.585 1.162 -4.101
224 HD13 LEU 33 3HD1 LEU 33 4.297 0.968 -3.658
225 HD21 LEU 33 3HD2 LEU 33 3.307 1.784 -7.737
226 HD22 LEU 33 1HD2 LEU 33 1.988 1.591 -6.555
227 HD23 LEU 33 2HD2 LEU 33 2.980 0.195 -7.025
228 H ASP 34 H ASP 34 6.418 1.721 -3.618
229 HA ASP 34 HA ASP 34 8.642 2.526 -5.461
230 HB2 ASP 34 1HB ASP 34 8.821 3.056 -2.887
231 HB3 ASP 34 2HB ASP 34 9.171 1.342 -2.727
232 H HIS 35 H HIS 35 7.615 -0.084 -3.209
233 HA HIS 35 HA HIS 35 8.480 -2.021 -5.318
234 HB2 HIS 35 1HB HIS 35 8.473 -2.702 -2.392
235 HB3 HIS 35 2HB HIS 35 9.285 -3.528 -3.712
236 HD1 HIS 35 1HD HIS 35 10.514 -2.108 -0.949
237 HD2 HIS 35 2HD HIS 35 10.868 -0.817 -4.907
238 HE1 HIS 35 1HE HIS 35 12.536 -0.569 -1.037
239 H GLU 36 H GLU 36 7.326 -3.980 -5.536
240 HA GLU 36 HA GLU 36 4.553 -3.925 -4.429
241 HB2 GLU 36 1HB GLU 36 5.890 -5.760 -6.471
242 HB3 GLU 36 2HB GLU 36 4.211 -5.884 -5.929
243 HG2 GLU 36 1HG GLU 36 5.451 -3.571 -7.453
244 HG3 GLU 36 2HG GLU 36 4.333 -4.777 -8.101
245 H GLY 37 H GLY 37 3.980 -5.563 -2.925
246 HA2 GLY 37 1HA GLY 37 4.408 -7.482 -1.619
247 HA3 GLY 37 2HA GLY 37 6.092 -7.507 -2.175
248 H GLU 38 H GLU 38 5.847 -7.888 0.403
249 HA GLU 38 HA GLU 38 5.652 -5.445 1.943
250 HB2 GLU 38 1HB GLU 38 6.676 -8.198 2.710
251 HB3 GLU 38 2HB GLU 38 6.297 -6.890 3.834
252 HG2 GLU 38 1HG GLU 38 3.929 -6.949 3.033
253 HG3 GLU 38 2HG GLU 38 4.333 -8.356 2.041
254 H CYS 39 H CYS 39 7.220 -4.628 3.371
255 HA CYS 39 HA CYS 39 10.104 -5.095 2.705
256 HB2 CYS 39 1HB CYS 39 8.613 -2.522 3.385
257 HB3 CYS 39 2HB CYS 39 10.347 -2.696 3.638
258 H LEU 40 H LEU 40 11.345 -4.351 4.794
259 HA LEU 40 HA LEU 40 9.970 -5.499 7.163
260 HB2 LEU 40 1HB LEU 40 12.855 -4.755 6.542
261 HB3 LEU 40 2HB LEU 40 12.301 -5.126 8.165
262 HG LEU 40 HG LEU 40 11.671 -7.417 7.427
263 HD11 LEU 40 1HD1 LEU 40 13.079 -6.644 4.838
264 HD12 LEU 40 2HD1 LEU 40 11.389 -7.169 5.024
265 HD13 LEU 40 3HD1 LEU 40 12.706 -8.312 5.335
266 HD21 LEU 40 3HD2 LEU 40 13.992 -8.229 7.371
267 HD22 LEU 40 1HD2 LEU 40 13.803 -6.907 8.538
268 HD23 LEU 40 2HD2 LEU 40 14.563 -6.594 6.959
Start of MODEL 15
1 H1 GLU 1 1H GLU 1 -15.489 9.749 -7.303
2 H2 GLU 1 2H GLU 1 -15.209 9.492 -5.698
3 H3 GLU 1 3H GLU 1 -15.663 8.235 -6.671
4 HA GLU 1 HA GLU 1 -17.331 10.597 -6.111
5 HB2 GLU 1 1HB GLU 1 -18.915 9.772 -7.484
6 HB3 GLU 1 2HB GLU 1 -17.533 9.027 -8.269
7 HG2 GLU 1 1HG GLU 1 -19.373 7.601 -6.274
8 HG3 GLU 1 2HG GLU 1 -19.522 7.513 -8.030
9 H ALA 2 H ALA 2 -16.304 7.371 -5.042
10 HA ALA 2 HA ALA 2 -17.497 7.865 -2.413
11 HB1 ALA 2 3HB ALA 2 -18.273 5.424 -4.116
12 HB2 ALA 2 1HB ALA 2 -18.690 5.672 -2.405
13 HB3 ALA 2 2HB ALA 2 -19.386 6.736 -3.646
14 H ALA 3 H ALA 3 -16.686 5.760 -1.098
15 HA ALA 3 HA ALA 3 -13.871 5.365 -1.747
16 HB1 ALA 3 3HB ALA 3 -14.684 5.375 0.615
17 HB2 ALA 3 1HB ALA 3 -15.689 3.944 0.267
18 HB3 ALA 3 2HB ALA 3 -13.917 3.824 0.202
19 H VAL 4 H VAL 4 -13.031 3.696 -2.940
20 HA VAL 4 HA VAL 4 -14.936 1.588 -3.886
21 HB VAL 4 HB VAL 4 -13.727 1.641 -6.074
22 HG11 VAL 4 1HG1 VAL 4 -14.864 4.365 -5.310
23 HG12 VAL 4 2HG1 VAL 4 -14.773 3.665 -6.940
24 HG13 VAL 4 3HG1 VAL 4 -15.836 2.933 -5.717
25 HG21 VAL 4 3HG2 VAL 4 -12.384 4.178 -5.010
26 HG22 VAL 4 1HG2 VAL 4 -11.567 2.613 -5.262
27 HG23 VAL 4 2HG2 VAL 4 -12.231 3.502 -6.644
28 H CYS 5 H CYS 5 -12.276 2.016 -1.989
29 HA CYS 5 HA CYS 5 -10.602 -0.075 -3.141
30 HB2 CYS 5 1HB CYS 5 -10.505 1.307 -0.434
31 HB3 CYS 5 2HB CYS 5 -9.253 0.247 -1.095
32 H THR 6 H THR 6 -10.408 -2.162 -2.516
33 HA THR 6 HA THR 6 -12.446 -3.262 -0.679
34 HB THR 6 HB THR 6 -11.540 -5.421 -1.620
35 HG1 THR 6 1HG THR 6 -10.153 -5.094 -3.517
36 HG21 THR 6 1HG2 THR 6 -12.306 -3.414 -3.777
37 HG22 THR 6 2HG2 THR 6 -13.466 -4.247 -2.715
38 HG23 THR 6 3HG2 THR 6 -12.475 -5.181 -3.855
39 H THR 7 H THR 7 -11.615 -5.061 0.782
40 HA THR 7 HA THR 7 -9.174 -4.164 2.178
41 HB THR 7 HB THR 7 -9.887 -5.910 3.859
42 HG1 THR 7 1HG THR 7 -11.069 -7.384 2.841
43 HG21 THR 7 1HG2 THR 7 -12.154 -4.040 3.048
44 HG22 THR 7 2HG2 THR 7 -10.733 -3.553 4.004
45 HG23 THR 7 3HG2 THR 7 -11.876 -4.751 4.649
46 H GLU 8 H GLU 8 -9.112 -5.484 -0.507
47 HA GLU 8 HA GLU 8 -8.203 -8.182 -0.140
48 HB2 GLU 8 1HB GLU 8 -7.696 -8.217 -2.436
49 HB3 GLU 8 2HB GLU 8 -9.132 -7.205 -2.271
50 HG2 GLU 8 1HG GLU 8 -7.553 -5.209 -2.328
51 HG3 GLU 8 2HG GLU 8 -6.283 -6.335 -2.805
52 H TRP 9 H TRP 9 -6.286 -8.991 0.332
53 HA TRP 9 HA TRP 9 -4.174 -7.319 1.353
54 HB2 TRP 9 1HB TRP 9 -4.545 -9.596 2.187
55 HB3 TRP 9 2HB TRP 9 -4.276 -10.265 0.575
56 HD1 TRP 9 HD TRP 9 -1.916 -11.238 0.258
57 HE1 TRP 9 1HE TRP 9 0.386 -10.987 1.275
58 HE3 TRP 9 3HE TRP 9 -2.968 -7.345 3.407
59 HZ2 TRP 9 2HZ TRP 9 1.659 -9.282 3.164
60 HZ3 TRP 9 3HZ TRP 9 -1.106 -6.405 4.778
61 HH2 TRP 9 HH TRP 9 1.182 -7.380 4.667
62 H ASP 10 H ASP 10 -3.131 -5.991 0.010
63 HA ASP 10 HA ASP 10 -1.890 -7.138 -2.444
64 HB2 ASP 10 1HB ASP 10 -3.944 -5.907 -3.128
65 HB3 ASP 10 2HB ASP 10 -3.391 -4.499 -2.226
66 HA PRO 11 HA PRO 11 0.617 -4.746 0.579
67 HB2 PRO 11 1HB PRO 11 2.867 -6.343 0.670
68 HB3 PRO 11 2HB PRO 11 1.407 -6.605 1.672
69 HG2 PRO 11 1HG PRO 11 2.152 -7.929 -0.921
70 HG3 PRO 11 2HG PRO 11 1.603 -8.663 0.598
71 HD2 PRO 11 1HD PRO 11 -0.104 -8.233 -1.423
72 HD3 PRO 11 2HD PRO 11 -0.599 -7.946 0.286
73 H VAL 12 H VAL 12 1.922 -3.150 0.158
74 HA VAL 12 HA VAL 12 3.827 -3.324 -2.116
75 HB VAL 12 HB VAL 12 3.206 -0.979 -2.785
76 HG11 VAL 12 1HG1 VAL 12 0.874 -2.932 -3.046
77 HG12 VAL 12 2HG1 VAL 12 1.241 -1.564 -4.117
78 HG13 VAL 12 3HG1 VAL 12 2.340 -2.954 -4.050
79 HG21 VAL 12 3HG2 VAL 12 2.062 -0.315 -0.673
80 HG22 VAL 12 1HG2 VAL 12 1.057 -0.025 -2.103
81 HG23 VAL 12 2HG2 VAL 12 0.724 -1.424 -1.059
82 H CYS 13 H CYS 13 5.527 -1.678 -1.833
83 HA CYS 13 HA CYS 13 5.808 -0.925 1.059
84 HB2 CYS 13 1HB CYS 13 7.361 -2.719 0.180
85 HB3 CYS 13 2HB CYS 13 7.979 -1.523 -0.963
86 H GLY 14 H GLY 14 5.783 1.227 1.373
87 HA2 GLY 14 1HA GLY 14 5.864 3.010 -0.947
88 HA3 GLY 14 2HA GLY 14 5.671 3.483 0.751
89 H LYS 15 H LYS 15 7.298 5.017 -0.855
90 HA LYS 15 HA LYS 15 10.053 4.185 -0.810
91 HB2 LYS 15 1HB LYS 15 8.845 6.964 -0.934
92 HB3 LYS 15 2HB LYS 15 10.555 6.584 -1.175
93 HG2 LYS 15 1HG LYS 15 9.832 5.025 -3.056
94 HG3 LYS 15 2HG LYS 15 8.222 5.709 -2.895
95 HD2 LYS 15 1HD LYS 15 9.111 6.987 -4.604
96 HD3 LYS 15 2HD LYS 15 9.411 8.007 -3.185
97 HE2 LYS 15 1HE LYS 15 11.428 7.990 -4.501
98 HE3 LYS 15 2HE LYS 15 11.741 6.995 -3.065
99 HZ1 LYS 15 3HZ LYS 15 11.408 5.018 -4.387
100 HZ2 LYS 15 1HZ LYS 15 12.520 5.966 -5.146
101 HZ3 LYS 15 2HZ LYS 15 10.973 5.898 -5.714
102 H ASP 16 H ASP 16 8.058 5.154 1.764
103 HA ASP 16 HA ASP 16 10.236 6.108 3.475
104 HB2 ASP 16 1HB ASP 16 7.379 5.235 4.063
105 HB3 ASP 16 2HB ASP 16 8.517 5.775 5.307
106 H GLY 17 H GLY 17 9.617 3.150 2.118
107 HA2 GLY 17 1HA GLY 17 10.714 1.167 2.529
108 HA3 GLY 17 2HA GLY 17 11.341 1.838 4.038
109 H LYS 18 H LYS 18 7.881 1.973 3.653
110 HA LYS 18 HA LYS 18 7.693 -0.345 5.534
111 HB2 LYS 18 1HB LYS 18 6.001 2.176 5.590
112 HB3 LYS 18 2HB LYS 18 5.924 0.830 6.731
113 HG2 LYS 18 1HG LYS 18 8.269 2.752 6.380
114 HG3 LYS 18 2HG LYS 18 7.109 2.765 7.708
115 HD2 LYS 18 1HD LYS 18 8.223 1.140 8.843
116 HD3 LYS 18 2HD LYS 18 8.404 0.134 7.405
117 HE2 LYS 18 1HE LYS 18 10.193 1.993 6.728
118 HE3 LYS 18 2HE LYS 18 10.249 2.243 8.485
119 HZ1 LYS 18 3HZ LYS 18 11.860 0.587 7.822
120 HZ2 LYS 18 1HZ LYS 18 10.721 -0.318 7.041
121 HZ3 LYS 18 2HZ LYS 18 10.674 -0.182 8.675
122 H THR 19 H THR 19 5.924 -1.641 5.502
123 HA THR 19 HA THR 19 4.672 -1.954 2.903
124 HB THR 19 HB THR 19 4.208 -3.442 5.535
125 HG1 THR 19 1HG THR 19 6.087 -4.266 5.058
126 HG21 THR 19 1HG2 THR 19 3.487 -4.151 2.655
127 HG22 THR 19 2HG2 THR 19 2.352 -3.867 3.998
128 HG23 THR 19 3HG2 THR 19 3.418 -5.280 4.028
129 H TYR 20 H TYR 20 2.683 -1.487 2.270
130 HA TYR 20 HA TYR 20 0.687 -0.628 4.340
131 HB2 TYR 20 1HB TYR 20 1.081 0.242 1.465
132 HB3 TYR 20 2HB TYR 20 -0.420 0.518 2.367
133 HD1 TYR 20 2HD TYR 20 3.246 1.313 2.322
134 HD2 TYR 20 1HD TYR 20 -0.590 2.212 4.046
135 HE1 TYR 20 2HE TYR 20 4.215 3.324 3.421
136 HE2 TYR 20 1HE TYR 20 0.394 4.218 5.158
137 HH TYR 20 HH TYR 20 2.272 5.490 5.481
138 H SER 21 H SER 21 -1.205 -1.779 4.335
139 HA SER 21 HA SER 21 -0.980 -4.451 3.486
140 HB2 SER 21 1HB SER 21 -3.489 -4.504 4.063
141 HB3 SER 21 2HB SER 21 -2.359 -3.996 5.339
142 HG SER 21 HG SER 21 -4.047 -2.537 5.275
143 H ASN 22 H ASN 22 -3.207 -1.949 2.160
144 HA ASN 22 HA ASN 22 -2.989 -3.424 -0.409
145 HB2 ASN 22 1HB ASN 22 -5.123 -2.466 -1.151
146 HB3 ASN 22 2HB ASN 22 -5.296 -3.537 0.236
147 HD21 ASN 22 2HD2 ASN 22 -7.349 -2.516 0.596
148 HD22 ASN 22 1HD2 ASN 22 -7.390 -0.972 1.415
149 H LEU 23 H LEU 23 -3.069 -1.990 -2.351
150 HA LEU 23 HA LEU 23 -1.159 0.133 -2.206
151 HB2 LEU 23 1HB LEU 23 -1.646 -1.191 -4.222
152 HB3 LEU 23 2HB LEU 23 -3.280 -0.540 -4.271
153 HG LEU 23 HG LEU 23 -2.381 1.705 -4.775
154 HD11 LEU 23 1HD1 LEU 23 0.312 0.301 -4.910
155 HD12 LEU 23 2HD1 LEU 23 -0.167 1.532 -3.721
156 HD13 LEU 23 3HD1 LEU 23 -0.022 1.967 -5.432
157 HD21 LEU 23 3HD2 LEU 23 -3.042 0.165 -6.571
158 HD22 LEU 23 1HD2 LEU 23 -1.398 -0.516 -6.609
159 HD23 LEU 23 2HD2 LEU 23 -1.677 1.180 -7.076
160 H CYS 24 H CYS 24 -4.632 0.066 -1.696
161 HA CYS 24 HA CYS 24 -5.178 2.810 -2.230
162 HB2 CYS 24 1HB CYS 24 -6.863 0.972 -1.915
163 HB3 CYS 24 2HB CYS 24 -6.531 1.027 -0.181
164 H TRP 25 H TRP 25 -4.244 1.149 0.865
165 HA TRP 25 HA TRP 25 -4.307 3.609 2.353
166 HB2 TRP 25 1HB TRP 25 -2.902 0.971 2.876
167 HB3 TRP 25 2HB TRP 25 -2.882 2.343 3.997
168 HD1 TRP 25 HD TRP 25 -4.738 -0.721 3.547
169 HE1 TRP 25 1HE TRP 25 -7.036 -0.701 4.635
170 HE3 TRP 25 3HE TRP 25 -5.108 4.324 4.306
171 HZ2 TRP 25 2HZ TRP 25 -8.835 1.252 5.677
172 HZ3 TRP 25 3HZ TRP 25 -7.186 5.226 5.371
173 HH2 TRP 25 HH TRP 25 -9.031 3.688 6.045
174 H LEU 26 H LEU 26 -1.822 2.100 0.336
175 HA LEU 26 HA LEU 26 0.352 3.762 1.215
176 HB2 LEU 26 1HB LEU 26 0.589 1.746 -0.188
177 HB3 LEU 26 2HB LEU 26 -0.253 2.527 -1.492
178 HG LEU 26 HG LEU 26 2.266 2.211 -1.648
179 HD11 LEU 26 1HD1 LEU 26 0.897 3.542 -3.225
180 HD12 LEU 26 2HD1 LEU 26 2.532 4.194 -3.004
181 HD13 LEU 26 3HD1 LEU 26 1.156 4.977 -2.207
182 HD21 LEU 26 3HD2 LEU 26 2.872 3.114 0.528
183 HD22 LEU 26 1HD2 LEU 26 2.264 4.712 0.038
184 HD23 LEU 26 2HD2 LEU 26 3.650 3.997 -0.802
185 H ASN 27 H ASN 27 -2.144 4.127 -1.332
186 HA ASN 27 HA ASN 27 -1.285 6.686 -2.258
187 HB2 ASN 27 1HB ASN 27 -2.896 5.170 -3.433
188 HB3 ASN 27 2HB ASN 27 -4.109 5.553 -2.204
189 HD21 ASN 27 2HD2 ASN 27 -5.306 7.384 -2.377
190 HD22 ASN 27 1HD2 ASN 27 -5.066 8.561 -3.646
191 H GLU 28 H GLU 28 -3.659 5.777 0.290
192 HA GLU 28 HA GLU 28 -4.460 8.503 0.757
193 HB2 GLU 28 1HB GLU 28 -4.613 6.093 2.607
194 HB3 GLU 28 2HB GLU 28 -5.402 7.650 2.881
195 HG2 GLU 28 1HG GLU 28 -6.003 5.639 0.709
196 HG3 GLU 28 2HG GLU 28 -7.062 6.170 2.010
197 H ALA 29 H ALA 29 -1.735 6.608 1.915
198 HA ALA 29 HA ALA 29 -1.130 8.472 4.083
199 HB1 ALA 29 3HB ALA 29 0.467 6.245 2.773
200 HB2 ALA 29 1HB ALA 29 0.982 7.164 4.210
201 HB3 ALA 29 2HB ALA 29 -0.478 6.148 4.276
202 H GLY 30 H GLY 30 -0.698 8.441 0.665
203 HA2 GLY 30 1HA GLY 30 0.124 10.153 -0.640
204 HA3 GLY 30 2HA GLY 30 0.598 11.021 0.824
205 H VAL 31 H VAL 31 1.819 7.784 0.473
206 HA VAL 31 HA VAL 31 4.518 8.940 0.039
207 HB VAL 31 HB VAL 31 4.183 5.995 0.432
208 HG11 VAL 31 1HG1 VAL 31 6.046 8.058 1.661
209 HG12 VAL 31 2HG1 VAL 31 6.174 6.293 1.835
210 HG13 VAL 31 3HG1 VAL 31 6.396 7.039 0.242
211 HG21 VAL 31 3HG2 VAL 31 4.034 6.279 2.931
212 HG22 VAL 31 1HG2 VAL 31 3.569 7.974 2.650
213 HG23 VAL 31 2HG2 VAL 31 2.550 6.641 2.042
214 H GLY 32 H GLY 32 5.724 8.393 -1.747
215 HA2 GLY 32 1HA GLY 32 4.349 7.314 -4.059
216 HA3 GLY 32 2HA GLY 32 6.097 7.636 -3.925
217 H LEU 33 H LEU 33 4.856 5.257 -5.084
218 HA LEU 33 HA LEU 33 5.284 3.087 -3.144
219 HB2 LEU 33 1HB LEU 33 3.572 2.950 -4.928
220 HB3 LEU 33 2HB LEU 33 4.825 3.093 -6.155
221 HG LEU 33 HG LEU 33 5.170 0.838 -4.247
222 HD11 LEU 33 1HD1 LEU 33 2.740 0.827 -4.521
223 HD12 LEU 33 2HD1 LEU 33 3.476 -0.544 -5.372
224 HD13 LEU 33 3HD1 LEU 33 2.921 0.876 -6.292
225 HD21 LEU 33 3HD2 LEU 33 6.641 1.172 -6.239
226 HD22 LEU 33 1HD2 LEU 33 5.224 0.999 -7.297
227 HD23 LEU 33 2HD2 LEU 33 5.770 -0.370 -6.300
228 H ASP 34 H ASP 34 7.119 1.779 -3.051
229 HA ASP 34 HA ASP 34 9.373 2.562 -4.881
230 HB2 ASP 34 1HB ASP 34 9.504 2.862 -2.268
231 HB3 ASP 34 2HB ASP 34 9.807 1.129 -2.265
232 H HIS 35 H HIS 35 8.157 -0.196 -2.890
233 HA HIS 35 HA HIS 35 8.914 -1.985 -5.174
234 HB2 HIS 35 1HB HIS 35 8.464 -2.964 -2.357
235 HB3 HIS 35 2HB HIS 35 9.296 -3.777 -3.677
236 HD1 HIS 35 1HD HIS 35 10.513 -3.187 -0.749
237 HD2 HIS 35 2HD HIS 35 11.304 -1.011 -4.231
238 HE1 HIS 35 1HE HIS 35 12.703 -1.954 -0.362
239 H GLU 36 H GLU 36 7.470 -3.733 -5.650
240 HA GLU 36 HA GLU 36 4.705 -3.424 -4.533
241 HB2 GLU 36 1HB GLU 36 5.786 -5.114 -6.834
242 HB3 GLU 36 2HB GLU 36 4.133 -5.196 -6.209
243 HG2 GLU 36 1HG GLU 36 3.823 -2.792 -6.803
244 HG3 GLU 36 2HG GLU 36 5.438 -2.789 -7.528
245 H GLY 37 H GLY 37 3.971 -5.301 -3.297
246 HA2 GLY 37 1HA GLY 37 4.368 -7.312 -2.126
247 HA3 GLY 37 2HA GLY 37 6.076 -7.279 -2.610
248 H GLU 38 H GLU 38 5.445 -7.769 -0.006
249 HA GLU 38 HA GLU 38 5.401 -5.294 1.544
250 HB2 GLU 38 1HB GLU 38 5.803 -7.064 3.444
251 HB3 GLU 38 2HB GLU 38 4.231 -6.915 2.663
252 HG2 GLU 38 1HG GLU 38 4.584 -8.873 1.344
253 HG3 GLU 38 2HG GLU 38 6.283 -8.946 1.803
254 H CYS 39 H CYS 39 6.926 -4.892 3.282
255 HA CYS 39 HA CYS 39 9.714 -5.816 2.917
256 HB2 CYS 39 1HB CYS 39 10.513 -3.465 2.848
257 HB3 CYS 39 2HB CYS 39 9.542 -3.872 1.426
258 H LEU 40 H LEU 40 10.915 -4.243 4.814
259 HA LEU 40 HA LEU 40 9.132 -4.499 7.198
260 HB2 LEU 40 1HB LEU 40 10.943 -6.212 7.023
261 HB3 LEU 40 2HB LEU 40 12.137 -4.931 7.008
262 HG LEU 40 HG LEU 40 11.865 -6.238 9.142
263 HD11 LEU 40 1HD1 LEU 40 11.448 -3.254 9.475
264 HD12 LEU 40 2HD1 LEU 40 12.990 -4.019 9.033
265 HD13 LEU 40 3HD1 LEU 40 12.242 -4.371 10.604
266 HD21 LEU 40 3HD2 LEU 40 9.359 -4.558 9.506
267 HD22 LEU 40 1HD2 LEU 40 10.060 -5.717 10.659
268 HD23 LEU 40 2HD2 LEU 40 9.373 -6.298 9.128
Start of MODEL 16
1 H1 GLU 1 1H GLU 1 -12.727 10.834 -2.802
2 H2 GLU 1 2H GLU 1 -13.268 9.323 -2.429
3 H3 GLU 1 3H GLU 1 -13.127 10.465 -1.241
4 HA GLU 1 HA GLU 1 -10.725 10.521 -1.531
5 HB2 GLU 1 1HB GLU 1 -12.340 8.337 -0.498
6 HB3 GLU 1 2HB GLU 1 -10.807 7.714 -1.107
7 HG2 GLU 1 1HG GLU 1 -10.491 8.177 1.207
8 HG3 GLU 1 2HG GLU 1 -9.623 9.436 0.315
9 H ALA 2 H ALA 2 -8.815 9.408 -2.460
10 HA ALA 2 HA ALA 2 -9.304 8.757 -5.273
11 HB1 ALA 2 3HB ALA 2 -6.744 8.864 -3.616
12 HB2 ALA 2 1HB ALA 2 -6.826 8.654 -5.381
13 HB3 ALA 2 2HB ALA 2 -7.392 10.169 -4.641
14 H ALA 3 H ALA 3 -9.187 7.037 -2.341
15 HA ALA 3 HA ALA 3 -8.026 4.590 -3.298
16 HB1 ALA 3 3HB ALA 3 -8.073 5.172 -0.897
17 HB2 ALA 3 1HB ALA 3 -9.854 5.138 -0.913
18 HB3 ALA 3 2HB ALA 3 -8.937 3.643 -1.193
19 H VAL 4 H VAL 4 -8.963 3.827 -5.107
20 HA VAL 4 HA VAL 4 -11.888 3.211 -5.092
21 HB VAL 4 HB VAL 4 -11.582 2.833 -7.546
22 HG11 VAL 4 1HG1 VAL 4 -12.264 5.062 -6.679
23 HG12 VAL 4 2HG1 VAL 4 -10.556 5.560 -6.637
24 HG13 VAL 4 3HG1 VAL 4 -11.336 5.182 -8.189
25 HG21 VAL 4 3HG2 VAL 4 -9.496 3.478 -8.677
26 HG22 VAL 4 1HG2 VAL 4 -8.737 3.908 -7.131
27 HG23 VAL 4 2HG2 VAL 4 -9.143 2.208 -7.492
28 H CYS 5 H CYS 5 -9.085 1.963 -4.122
29 HA CYS 5 HA CYS 5 -9.145 -0.686 -5.351
30 HB2 CYS 5 1HB CYS 5 -7.317 -1.037 -3.574
31 HB3 CYS 5 2HB CYS 5 -7.001 0.187 -4.821
32 H THR 6 H THR 6 -9.285 -2.650 -4.064
33 HA THR 6 HA THR 6 -11.514 -2.547 -2.160
34 HB THR 6 HB THR 6 -11.241 -5.056 -2.312
35 HG1 THR 6 1HG THR 6 -9.774 -5.738 -4.019
36 HG21 THR 6 1HG2 THR 6 -12.721 -3.816 -3.904
37 HG22 THR 6 2HG2 THR 6 -12.003 -5.279 -4.612
38 HG23 THR 6 3HG2 THR 6 -11.345 -3.681 -5.027
39 H THR 7 H THR 7 -11.307 -4.026 -0.186
40 HA THR 7 HA THR 7 -8.903 -3.262 1.280
41 HB THR 7 HB THR 7 -10.144 -4.354 3.215
42 HG1 THR 7 1HG THR 7 -12.236 -5.066 2.774
43 HG21 THR 7 1HG2 THR 7 -10.442 -1.922 2.656
44 HG22 THR 7 2HG2 THR 7 -11.885 -2.663 3.381
45 HG23 THR 7 3HG2 THR 7 -11.828 -2.367 1.631
46 H GLU 8 H GLU 8 -9.142 -5.375 -0.838
47 HA GLU 8 HA GLU 8 -8.446 -7.920 0.295
48 HB2 GLU 8 1HB GLU 8 -8.031 -6.675 -2.433
49 HB3 GLU 8 2HB GLU 8 -7.433 -8.291 -2.033
50 HG2 GLU 8 1HG GLU 8 -9.652 -9.089 -1.573
51 HG3 GLU 8 2HG GLU 8 -10.319 -7.464 -1.738
52 H TRP 9 H TRP 9 -6.616 -8.677 1.054
53 HA TRP 9 HA TRP 9 -4.376 -7.121 1.783
54 HB2 TRP 9 1HB TRP 9 -4.711 -9.307 2.751
55 HB3 TRP 9 2HB TRP 9 -4.710 -10.082 1.165
56 HD1 TRP 9 HD TRP 9 -2.432 -11.089 0.379
57 HE1 TRP 9 1HE TRP 9 -0.031 -11.110 1.169
58 HE3 TRP 9 3HE TRP 9 -2.855 -7.476 3.971
59 HZ2 TRP 9 2HZ TRP 9 1.564 -9.693 3.065
60 HZ3 TRP 9 3HZ TRP 9 -0.794 -6.807 5.213
61 HH2 TRP 9 HH TRP 9 1.389 -7.918 4.769
62 H ASP 10 H ASP 10 -3.249 -5.911 0.473
63 HA ASP 10 HA ASP 10 -2.184 -7.077 -2.067
64 HB2 ASP 10 1HB ASP 10 -4.249 -5.715 -2.539
65 HB3 ASP 10 2HB ASP 10 -3.482 -4.334 -1.756
66 HA PRO 11 HA PRO 11 0.602 -4.945 0.927
67 HB2 PRO 11 1HB PRO 11 2.788 -6.608 0.626
68 HB3 PRO 11 2HB PRO 11 1.461 -6.880 1.792
69 HG2 PRO 11 1HG PRO 11 1.820 -8.076 -0.945
70 HG3 PRO 11 2HG PRO 11 1.412 -8.875 0.589
71 HD2 PRO 11 1HD PRO 11 -0.485 -8.264 -1.176
72 HD3 PRO 11 2HD PRO 11 -0.756 -8.013 0.592
73 H VAL 12 H VAL 12 1.825 -3.320 0.492
74 HA VAL 12 HA VAL 12 3.478 -3.262 -1.977
75 HB VAL 12 HB VAL 12 2.643 -0.869 -2.332
76 HG11 VAL 12 1HG1 VAL 12 0.721 -1.527 -3.686
77 HG12 VAL 12 2HG1 VAL 12 1.991 -2.759 -3.814
78 HG13 VAL 12 3HG1 VAL 12 0.569 -3.052 -2.787
79 HG21 VAL 12 3HG2 VAL 12 0.279 -1.806 -0.647
80 HG22 VAL 12 1HG2 VAL 12 1.501 -0.620 -0.130
81 HG23 VAL 12 2HG2 VAL 12 0.437 -0.257 -1.499
82 H CYS 13 H CYS 13 5.136 -1.628 -1.804
83 HA CYS 13 HA CYS 13 5.612 -0.778 1.030
84 HB2 CYS 13 1HB CYS 13 6.925 -2.778 0.296
85 HB3 CYS 13 2HB CYS 13 7.621 -1.792 -0.985
86 H GLY 14 H GLY 14 5.814 1.338 1.229
87 HA2 GLY 14 1HA GLY 14 5.790 2.985 -1.176
88 HA3 GLY 14 2HA GLY 14 5.725 3.545 0.499
89 H LYS 15 H LYS 15 7.143 5.096 -1.056
90 HA LYS 15 HA LYS 15 9.914 4.376 -1.400
91 HB2 LYS 15 1HB LYS 15 8.531 7.069 -1.173
92 HB3 LYS 15 2HB LYS 15 10.239 6.863 -1.572
93 HG2 LYS 15 1HG LYS 15 9.564 5.465 -3.540
94 HG3 LYS 15 2HG LYS 15 7.883 5.855 -3.188
95 HD2 LYS 15 1HD LYS 15 8.500 8.299 -3.376
96 HD3 LYS 15 2HD LYS 15 10.087 7.774 -3.970
97 HE2 LYS 15 1HE LYS 15 7.367 7.219 -5.233
98 HE3 LYS 15 2HE LYS 15 8.628 8.289 -5.862
99 HZ1 LYS 15 3HZ LYS 15 8.751 6.276 -7.060
100 HZ2 LYS 15 1HZ LYS 15 8.675 5.334 -5.711
101 HZ3 LYS 15 2HZ LYS 15 10.035 6.225 -6.027
102 H ASP 16 H ASP 16 8.102 5.373 1.360
103 HA ASP 16 HA ASP 16 10.342 6.237 2.977
104 HB2 ASP 16 1HB ASP 16 7.566 5.194 3.679
105 HB3 ASP 16 2HB ASP 16 8.717 5.828 4.864
106 H GLY 17 H GLY 17 9.503 3.185 1.751
107 HA2 GLY 17 1HA GLY 17 10.429 1.107 2.282
108 HA3 GLY 17 2HA GLY 17 11.112 1.781 3.773
109 H LYS 18 H LYS 18 8.114 2.897 3.905
110 HA LYS 18 HA LYS 18 7.247 0.997 5.887
111 HB2 LYS 18 1HB LYS 18 5.799 3.266 4.478
112 HB3 LYS 18 2HB LYS 18 5.136 2.372 5.852
113 HG2 LYS 18 1HG LYS 18 6.847 3.217 7.327
114 HG3 LYS 18 2HG LYS 18 7.755 3.901 5.966
115 HD2 LYS 18 1HD LYS 18 5.815 5.386 5.459
116 HD3 LYS 18 2HD LYS 18 5.014 4.802 6.931
117 HE2 LYS 18 1HE LYS 18 6.687 5.776 8.337
118 HE3 LYS 18 2HE LYS 18 7.804 5.999 6.972
119 HZ1 LYS 18 3HZ LYS 18 6.715 8.077 7.606
120 HZ2 LYS 18 1HZ LYS 18 5.231 7.441 7.262
121 HZ3 LYS 18 2HZ LYS 18 6.342 7.657 6.053
122 H THR 19 H THR 19 6.180 -0.818 5.660
123 HA THR 19 HA THR 19 5.000 -1.602 3.086
124 HB THR 19 HB THR 19 5.177 -3.004 5.799
125 HG1 THR 19 1HG THR 19 6.878 -4.084 4.865
126 HG21 THR 19 1HG2 THR 19 4.255 -4.017 3.086
127 HG22 THR 19 2HG2 THR 19 3.287 -3.909 4.576
128 HG23 THR 19 3HG2 THR 19 4.637 -5.052 4.485
129 H TYR 20 H TYR 20 2.887 -1.472 2.597
130 HA TYR 20 HA TYR 20 0.973 -0.898 4.832
131 HB2 TYR 20 1HB TYR 20 0.956 0.011 1.946
132 HB3 TYR 20 2HB TYR 20 -0.431 0.156 3.032
133 HD1 TYR 20 1HD TYR 20 -0.386 1.698 4.955
134 HD2 TYR 20 2HD TYR 20 2.964 1.419 2.278
135 HE1 TYR 20 1HE TYR 20 0.548 3.811 5.898
136 HE2 TYR 20 2HE TYR 20 3.885 3.535 3.215
137 HH TYR 20 HH TYR 20 3.548 5.280 4.673
138 H SER 21 H SER 21 -0.867 -2.140 4.929
139 HA SER 21 HA SER 21 -0.569 -4.798 3.977
140 HB2 SER 21 1HB SER 21 -2.976 -5.004 4.851
141 HB3 SER 21 2HB SER 21 -1.735 -4.464 6.005
142 HG SER 21 HG SER 21 -3.470 -3.093 6.201
143 H ASN 22 H ASN 22 -3.100 -2.394 3.070
144 HA ASN 22 HA ASN 22 -3.143 -3.745 0.415
145 HB2 ASN 22 1HB ASN 22 -5.419 -2.833 0.049
146 HB3 ASN 22 2HB ASN 22 -5.320 -4.052 1.317
147 HD21 ASN 22 2HD2 ASN 22 -6.856 -3.557 2.721
148 HD22 ASN 22 1HD2 ASN 22 -7.071 -1.979 3.448
149 H LEU 23 H LEU 23 -3.641 -2.279 -1.398
150 HA LEU 23 HA LEU 23 -1.796 -0.123 -1.533
151 HB2 LEU 23 1HB LEU 23 -2.655 -1.437 -3.445
152 HB3 LEU 23 2HB LEU 23 -4.250 -0.737 -3.210
153 HG LEU 23 HG LEU 23 -3.348 1.498 -3.809
154 HD11 LEU 23 1HD1 LEU 23 -1.127 1.653 -4.889
155 HD12 LEU 23 2HD1 LEU 23 -0.795 -0.038 -4.449
156 HD13 LEU 23 3HD1 LEU 23 -0.985 1.197 -3.182
157 HD21 LEU 23 3HD2 LEU 23 -4.407 0.051 -5.482
158 HD22 LEU 23 1HD2 LEU 23 -2.842 -0.721 -5.828
159 HD23 LEU 23 2HD2 LEU 23 -3.096 1.000 -6.211
160 H CYS 24 H CYS 24 -5.171 -0.230 -0.480
161 HA CYS 24 HA CYS 24 -5.718 2.534 -0.914
162 HB2 CYS 24 1HB CYS 24 -6.928 0.780 1.235
163 HB3 CYS 24 2HB CYS 24 -7.638 2.209 0.477
164 H TRP 25 H TRP 25 -4.363 0.788 1.935
165 HA TRP 25 HA TRP 25 -4.267 3.171 3.556
166 HB2 TRP 25 1HB TRP 25 -2.712 0.569 3.651
167 HB3 TRP 25 2HB TRP 25 -2.467 1.892 4.801
168 HD1 TRP 25 HD TRP 25 -4.466 -1.145 4.465
169 HE1 TRP 25 1HE TRP 25 -6.395 -1.234 6.125
170 HE3 TRP 25 3HE TRP 25 -4.374 3.760 5.900
171 HZ2 TRP 25 2HZ TRP 25 -7.759 0.596 7.837
172 HZ3 TRP 25 3HZ TRP 25 -6.054 4.550 7.583
173 HH2 TRP 25 HH TRP 25 -7.729 2.965 8.535
174 H LEU 26 H LEU 26 -2.051 1.772 1.146
175 HA LEU 26 HA LEU 26 0.135 3.571 1.664
176 HB2 LEU 26 1HB LEU 26 0.295 1.512 0.332
177 HB3 LEU 26 2HB LEU 26 -0.766 2.171 -0.876
178 HG LEU 26 HG LEU 26 1.650 1.972 -1.468
179 HD11 LEU 26 1HD1 LEU 26 1.711 3.939 -2.820
180 HD12 LEU 26 2HD1 LEU 26 0.583 4.790 -1.753
181 HD13 LEU 26 3HD1 LEU 26 0.022 3.401 -2.717
182 HD21 LEU 26 3HD2 LEU 26 2.651 2.760 0.572
183 HD22 LEU 26 1HD2 LEU 26 1.952 4.375 0.321
184 HD23 LEU 26 2HD2 LEU 26 3.169 3.745 -0.807
185 H ASN 27 H ASN 27 -2.688 3.714 -0.530
186 HA ASN 27 HA ASN 27 -2.050 6.232 -1.706
187 HB2 ASN 27 1HB ASN 27 -3.697 4.675 -2.660
188 HB3 ASN 27 2HB ASN 27 -4.742 4.885 -1.248
189 HD21 ASN 27 2HD2 ASN 27 -3.119 6.829 -3.763
190 HD22 ASN 27 1HD2 ASN 27 -4.446 7.943 -3.962
191 H GLU 28 H GLU 28 -4.062 5.439 1.166
192 HA GLU 28 HA GLU 28 -4.883 8.169 1.586
193 HB2 GLU 28 1HB GLU 28 -4.722 5.767 3.436
194 HB3 GLU 28 2HB GLU 28 -5.372 7.329 3.936
195 HG2 GLU 28 1HG GLU 28 -6.474 5.584 1.703
196 HG3 GLU 28 2HG GLU 28 -7.169 5.775 3.317
197 H ALA 29 H ALA 29 -2.001 6.348 2.529
198 HA ALA 29 HA ALA 29 -1.146 8.351 4.467
199 HB1 ALA 29 3HB ALA 29 0.311 6.041 3.128
200 HB2 ALA 29 1HB ALA 29 0.962 7.032 4.457
201 HB3 ALA 29 2HB ALA 29 -0.479 6.021 4.719
202 H GLY 30 H GLY 30 -1.064 8.083 1.027
203 HA2 GLY 30 1HA GLY 30 -0.371 9.669 -0.487
204 HA3 GLY 30 2HA GLY 30 0.227 10.657 0.847
205 H VAL 31 H VAL 31 1.602 7.523 0.917
206 HA VAL 31 HA VAL 31 4.176 8.653 0.195
207 HB VAL 31 HB VAL 31 3.817 5.685 0.489
208 HG11 VAL 31 1HG1 VAL 31 5.861 7.652 1.580
209 HG12 VAL 31 2HG1 VAL 31 5.944 5.880 1.700
210 HG13 VAL 31 3HG1 VAL 31 6.040 6.665 0.111
211 HG21 VAL 31 3HG2 VAL 31 2.387 6.290 2.263
212 HG22 VAL 31 1HG2 VAL 31 3.959 5.965 3.003
213 HG23 VAL 31 2HG2 VAL 31 3.439 7.646 2.763
214 H GLY 32 H GLY 32 5.257 8.319 -1.654
215 HA2 GLY 32 1HA GLY 32 3.842 7.343 -3.980
216 HA3 GLY 32 2HA GLY 32 5.579 7.734 -3.897
217 H LEU 33 H LEU 33 4.198 5.359 -5.099
218 HA LEU 33 HA LEU 33 4.782 3.085 -3.388
219 HB2 LEU 33 1HB LEU 33 3.100 3.078 -5.227
220 HB3 LEU 33 2HB LEU 33 4.393 3.319 -6.397
221 HG LEU 33 HG LEU 33 5.326 1.087 -5.801
222 HD11 LEU 33 1HD1 LEU 33 2.809 0.876 -4.103
223 HD12 LEU 33 2HD1 LEU 33 4.489 0.842 -3.519
224 HD13 LEU 33 3HD1 LEU 33 3.878 -0.480 -4.524
225 HD21 LEU 33 3HD2 LEU 33 3.787 1.371 -7.702
226 HD22 LEU 33 1HD2 LEU 33 2.396 1.092 -6.627
227 HD23 LEU 33 2HD2 LEU 33 3.571 -0.210 -6.929
228 H ASP 34 H ASP 34 6.623 1.708 -3.452
229 HA ASP 34 HA ASP 34 8.810 2.590 -5.325
230 HB2 ASP 34 1HB ASP 34 9.148 3.143 -2.842
231 HB3 ASP 34 2HB ASP 34 9.294 1.409 -2.558
232 H HIS 35 H HIS 35 7.838 -0.119 -3.119
233 HA HIS 35 HA HIS 35 8.589 -1.945 -5.339
234 HB2 HIS 35 1HB HIS 35 8.438 -2.778 -2.484
235 HB3 HIS 35 2HB HIS 35 9.202 -3.608 -3.832
236 HD1 HIS 35 1HD HIS 35 11.283 -1.967 -4.963
237 HD2 HIS 35 2HD HIS 35 10.201 -1.413 -0.981
238 HE1 HIS 35 1HE HIS 35 13.206 -0.726 -3.857
239 H GLU 36 H GLU 36 7.195 -3.528 -6.021
240 HA GLU 36 HA GLU 36 4.421 -3.447 -4.974
241 HB2 GLU 36 1HB GLU 36 5.806 -5.170 -7.090
242 HB3 GLU 36 2HB GLU 36 4.092 -5.260 -6.676
243 HG2 GLU 36 1HG GLU 36 4.202 -3.978 -8.668
244 HG3 GLU 36 2HG GLU 36 3.900 -2.813 -7.373
245 H GLY 37 H GLY 37 3.725 -5.102 -3.528
246 HA2 GLY 37 1HA GLY 37 4.000 -7.106 -2.302
247 HA3 GLY 37 2HA GLY 37 5.692 -7.215 -2.836
248 H GLU 38 H GLU 38 5.230 -7.568 -0.206
249 HA GLU 38 HA GLU 38 5.364 -5.016 1.226
250 HB2 GLU 38 1HB GLU 38 5.814 -6.720 3.181
251 HB3 GLU 38 2HB GLU 38 4.199 -6.530 2.506
252 HG2 GLU 38 1HG GLU 38 4.387 -8.575 1.255
253 HG3 GLU 38 2HG GLU 38 6.091 -8.734 1.670
254 H CYS 39 H CYS 39 7.064 -4.529 2.758
255 HA CYS 39 HA CYS 39 9.760 -5.577 1.968
256 HB2 CYS 39 1HB CYS 39 8.901 -2.966 3.303
257 HB3 CYS 39 2HB CYS 39 10.569 -3.537 3.239
258 H LEU 40 H LEU 40 11.157 -5.952 3.859
259 HA LEU 40 HA LEU 40 9.740 -6.428 6.428
260 HB2 LEU 40 1HB LEU 40 11.570 -8.378 4.966
261 HB3 LEU 40 2HB LEU 40 10.984 -8.582 6.611
262 HG LEU 40 HG LEU 40 9.212 -8.569 4.138
263 HD11 LEU 40 1HD1 LEU 40 10.767 -10.471 4.155
264 HD12 LEU 40 2HD1 LEU 40 9.104 -11.004 4.469
265 HD13 LEU 40 3HD1 LEU 40 10.265 -10.881 5.812
266 HD21 LEU 40 3HD2 LEU 40 7.997 -7.910 6.158
267 HD22 LEU 40 1HD2 LEU 40 8.649 -9.310 7.039
268 HD23 LEU 40 2HD2 LEU 40 7.528 -9.551 5.677
Start of MODEL 17
1 H1 GLU 1 1H GLU 1 -19.708 4.244 -11.164
2 H2 GLU 1 2H GLU 1 -20.187 5.468 -10.163
3 H3 GLU 1 3H GLU 1 -18.615 5.366 -10.649
4 HA GLU 1 HA GLU 1 -20.014 3.424 -8.932
5 HB2 GLU 1 1HB GLU 1 -17.957 2.260 -8.676
6 HB3 GLU 1 2HB GLU 1 -18.247 2.420 -10.401
7 HG2 GLU 1 1HG GLU 1 -16.351 4.299 -8.901
8 HG3 GLU 1 2HG GLU 1 -15.828 2.734 -9.529
9 H ALA 2 H ALA 2 -19.218 3.402 -6.679
10 HA ALA 2 HA ALA 2 -18.037 6.018 -5.865
11 HB1 ALA 2 3HB ALA 2 -19.697 6.175 -4.053
12 HB2 ALA 2 1HB ALA 2 -20.513 6.135 -5.631
13 HB3 ALA 2 2HB ALA 2 -20.477 4.676 -4.607
14 H ALA 3 H ALA 3 -16.595 3.639 -6.151
15 HA ALA 3 HA ALA 3 -15.843 3.158 -3.330
16 HB1 ALA 3 3HB ALA 3 -17.259 1.207 -3.968
17 HB2 ALA 3 1HB ALA 3 -16.248 0.948 -5.414
18 HB3 ALA 3 2HB ALA 3 -15.555 0.728 -3.790
19 H VAL 4 H VAL 4 -13.646 3.126 -3.120
20 HA VAL 4 HA VAL 4 -12.034 3.270 -5.630
21 HB VAL 4 HB VAL 4 -10.634 5.026 -4.555
22 HG11 VAL 4 1HG1 VAL 4 -12.530 5.640 -6.060
23 HG12 VAL 4 2HG1 VAL 4 -13.583 5.809 -4.635
24 HG13 VAL 4 3HG1 VAL 4 -12.183 6.886 -4.843
25 HG21 VAL 4 3HG2 VAL 4 -11.101 4.490 -2.164
26 HG22 VAL 4 1HG2 VAL 4 -11.416 6.195 -2.523
27 HG23 VAL 4 2HG2 VAL 4 -12.776 5.066 -2.362
28 H CYS 5 H CYS 5 -12.402 1.799 -2.555
29 HA CYS 5 HA CYS 5 -9.534 0.970 -2.558
30 HB2 CYS 5 1HB CYS 5 -10.241 2.239 -0.563
31 HB3 CYS 5 2HB CYS 5 -11.563 1.095 -0.296
32 H THR 6 H THR 6 -9.024 -1.201 -2.592
33 HA THR 6 HA THR 6 -11.255 -3.147 -2.767
34 HB THR 6 HB THR 6 -9.314 -4.681 -3.359
35 HG1 THR 6 1HG THR 6 -7.359 -3.597 -3.913
36 HG21 THR 6 1HG2 THR 6 -10.696 -3.561 -5.118
37 HG22 THR 6 2HG2 THR 6 -9.018 -3.854 -5.623
38 HG23 THR 6 3HG2 THR 6 -9.522 -2.221 -5.129
39 H THR 7 H THR 7 -11.160 -5.032 -1.341
40 HA THR 7 HA THR 7 -9.748 -4.469 1.207
41 HB THR 7 HB THR 7 -11.332 -6.211 2.131
42 HG1 THR 7 1HG THR 7 -12.936 -6.953 0.770
43 HG21 THR 7 1HG2 THR 7 -12.742 -3.952 0.644
44 HG22 THR 7 2HG2 THR 7 -11.894 -3.765 2.199
45 HG23 THR 7 3HG2 THR 7 -13.324 -4.811 2.085
46 H GLU 8 H GLU 8 -8.969 -5.742 -1.416
47 HA GLU 8 HA GLU 8 -8.195 -8.466 -0.740
48 HB2 GLU 8 1HB GLU 8 -7.622 -6.619 -3.063
49 HB3 GLU 8 2HB GLU 8 -6.850 -8.208 -2.914
50 HG2 GLU 8 1HG GLU 8 -8.994 -9.323 -2.927
51 HG3 GLU 8 2HG GLU 8 -9.843 -7.778 -2.899
52 H TRP 9 H TRP 9 -6.400 -9.151 0.148
53 HA TRP 9 HA TRP 9 -4.417 -7.429 1.303
54 HB2 TRP 9 1HB TRP 9 -4.713 -9.660 2.176
55 HB3 TRP 9 2HB TRP 9 -4.478 -10.384 0.584
56 HD1 TRP 9 HD TRP 9 -2.097 -11.285 0.109
57 HE1 TRP 9 1HE TRP 9 0.202 -11.148 1.151
58 HE3 TRP 9 3HE TRP 9 -3.114 -7.643 3.556
59 HZ2 TRP 9 2HZ TRP 9 1.489 -9.622 3.184
60 HZ3 TRP 9 3HZ TRP 9 -1.245 -6.843 5.009
61 HH2 TRP 9 HH TRP 9 1.029 -7.835 4.828
62 H ASP 10 H ASP 10 -3.228 -6.108 0.107
63 HA ASP 10 HA ASP 10 -1.885 -7.172 -2.336
64 HB2 ASP 10 1HB ASP 10 -3.921 -5.928 -3.051
65 HB3 ASP 10 2HB ASP 10 -3.403 -4.535 -2.095
66 HA PRO 11 HA PRO 11 0.571 -4.859 0.785
67 HB2 PRO 11 1HB PRO 11 2.799 -6.472 0.847
68 HB3 PRO 11 2HB PRO 11 1.341 -6.760 1.843
69 HG2 PRO 11 1HG PRO 11 2.080 -8.013 -0.794
70 HG3 PRO 11 2HG PRO 11 1.536 -8.793 0.709
71 HD2 PRO 11 1HD PRO 11 -0.176 -8.293 -1.296
72 HD3 PRO 11 2HD PRO 11 -0.668 -8.057 0.422
73 H VAL 12 H VAL 12 1.918 -3.283 0.372
74 HA VAL 12 HA VAL 12 3.721 -3.398 -1.986
75 HB VAL 12 HB VAL 12 2.985 -1.055 -2.614
76 HG11 VAL 12 1HG1 VAL 12 1.000 -1.714 -3.892
77 HG12 VAL 12 2HG1 VAL 12 2.181 -3.040 -3.892
78 HG13 VAL 12 3HG1 VAL 12 0.751 -3.123 -2.839
79 HG21 VAL 12 3HG2 VAL 12 0.790 -0.231 -1.864
80 HG22 VAL 12 1HG2 VAL 12 0.583 -1.650 -0.817
81 HG23 VAL 12 2HG2 VAL 12 1.864 -0.461 -0.473
82 H CYS 13 H CYS 13 5.352 -1.635 -1.758
83 HA CYS 13 HA CYS 13 5.573 -0.723 1.087
84 HB2 CYS 13 1HB CYS 13 7.225 -2.569 -0.263
85 HB3 CYS 13 2HB CYS 13 8.122 -1.044 -0.223
86 H GLY 14 H GLY 14 5.826 1.418 1.294
87 HA2 GLY 14 1HA GLY 14 5.805 3.002 -1.155
88 HA3 GLY 14 2HA GLY 14 5.710 3.600 0.504
89 H LYS 15 H LYS 15 7.100 5.145 -1.063
90 HA LYS 15 HA LYS 15 9.934 4.478 -1.225
91 HB2 LYS 15 1HB LYS 15 8.526 7.176 -1.280
92 HB3 LYS 15 2HB LYS 15 10.235 6.905 -1.627
93 HG2 LYS 15 1HG LYS 15 9.501 5.347 -3.498
94 HG3 LYS 15 2HG LYS 15 7.861 5.915 -3.224
95 HD2 LYS 15 1HD LYS 15 8.657 7.234 -5.002
96 HD3 LYS 15 2HD LYS 15 8.746 8.284 -3.577
97 HE2 LYS 15 1HE LYS 15 10.787 8.538 -4.882
98 HE3 LYS 15 2HE LYS 15 11.185 7.716 -3.364
99 HZ1 LYS 15 3HZ LYS 15 10.790 6.368 -5.978
100 HZ2 LYS 15 1HZ LYS 15 11.182 5.608 -4.566
101 HZ3 LYS 15 2HZ LYS 15 12.248 6.657 -5.263
102 H ASP 16 H ASP 16 7.884 5.267 1.320
103 HA ASP 16 HA ASP 16 9.884 6.546 3.033
104 HB2 ASP 16 1HB ASP 16 8.114 6.456 4.724
105 HB3 ASP 16 2HB ASP 16 7.487 7.124 3.212
106 H GLY 17 H GLY 17 9.392 3.419 1.929
107 HA2 GLY 17 1HA GLY 17 10.518 1.508 2.590
108 HA3 GLY 17 2HA GLY 17 11.130 2.365 4.011
109 H LYS 18 H LYS 18 7.660 2.466 3.569
110 HA LYS 18 HA LYS 18 7.472 0.458 5.791
111 HB2 LYS 18 1HB LYS 18 5.504 2.649 5.069
112 HB3 LYS 18 2HB LYS 18 5.444 1.604 6.489
113 HG2 LYS 18 1HG LYS 18 7.594 3.674 5.901
114 HG3 LYS 18 2HG LYS 18 6.225 3.909 6.987
115 HD2 LYS 18 1HD LYS 18 7.300 2.937 8.688
116 HD3 LYS 18 2HD LYS 18 7.667 1.495 7.730
117 HE2 LYS 18 1HE LYS 18 9.725 2.607 8.542
118 HE3 LYS 18 2HE LYS 18 9.641 2.575 6.770
119 HZ1 LYS 18 3HZ LYS 18 10.334 4.738 7.721
120 HZ2 LYS 18 1HZ LYS 18 8.830 4.925 8.377
121 HZ3 LYS 18 2HZ LYS 18 9.023 4.844 6.736
122 H THR 19 H THR 19 6.061 -1.186 5.699
123 HA THR 19 HA THR 19 4.934 -1.885 3.077
124 HB THR 19 HB THR 19 4.973 -3.283 5.801
125 HG1 THR 19 1HG THR 19 6.893 -3.600 4.778
126 HG21 THR 19 1HG2 THR 19 3.710 -4.222 3.192
127 HG22 THR 19 2HG2 THR 19 2.865 -3.905 4.730
128 HG23 THR 19 3HG2 THR 19 4.013 -5.246 4.616
129 H TYR 20 H TYR 20 2.885 -1.588 2.486
130 HA TYR 20 HA TYR 20 0.905 -0.831 4.608
131 HB2 TYR 20 1HB TYR 20 1.122 -0.026 1.688
132 HB3 TYR 20 2HB TYR 20 -0.308 0.265 2.687
133 HD1 TYR 20 1HD TYR 20 -0.261 1.879 4.523
134 HD2 TYR 20 2HD TYR 20 3.226 1.244 2.094
135 HE1 TYR 20 1HE TYR 20 0.781 3.952 5.463
136 HE2 TYR 20 2HE TYR 20 4.265 3.312 3.042
137 HH TYR 20 HH TYR 20 4.080 5.009 4.606
138 H SER 21 H SER 21 -0.894 -2.120 4.711
139 HA SER 21 HA SER 21 -0.645 -4.734 3.682
140 HB2 SER 21 1HB SER 21 -3.205 -3.431 4.677
141 HB3 SER 21 2HB SER 21 -2.775 -5.155 4.723
142 HG SER 21 HG SER 21 -2.354 -4.266 6.733
143 H ASN 22 H ASN 22 -3.061 -2.239 2.800
144 HA ASN 22 HA ASN 22 -3.148 -3.509 0.129
145 HB2 ASN 22 1HB ASN 22 -5.494 -2.241 -0.018
146 HB3 ASN 22 2HB ASN 22 -5.334 -3.909 0.510
147 HD21 ASN 22 2HD2 ASN 22 -7.069 -1.374 1.108
148 HD22 ASN 22 1HD2 ASN 22 -7.289 -1.525 2.829
149 H LEU 23 H LEU 23 -3.468 -2.071 -1.657
150 HA LEU 23 HA LEU 23 -1.698 0.115 -1.675
151 HB2 LEU 23 1HB LEU 23 -2.584 -1.216 -3.622
152 HB3 LEU 23 2HB LEU 23 -4.104 -0.347 -3.465
153 HG LEU 23 HG LEU 23 -2.879 1.789 -3.964
154 HD11 LEU 23 1HD1 LEU 23 -0.642 1.618 -5.018
155 HD12 LEU 23 2HD1 LEU 23 -0.583 -0.111 -4.605
156 HD13 LEU 23 3HD1 LEU 23 -0.601 1.119 -3.320
157 HD21 LEU 23 3HD2 LEU 23 -4.118 0.554 -5.687
158 HD22 LEU 23 1HD2 LEU 23 -2.678 -0.435 -6.032
159 HD23 LEU 23 2HD2 LEU 23 -2.668 1.313 -6.373
160 H CYS 24 H CYS 24 -5.064 -0.008 -0.683
161 HA CYS 24 HA CYS 24 -5.762 2.713 -0.977
162 HB2 CYS 24 1HB CYS 24 -6.522 0.990 1.394
163 HB3 CYS 24 2HB CYS 24 -7.438 2.317 0.673
164 H TRP 25 H TRP 25 -4.012 1.050 1.700
165 HA TRP 25 HA TRP 25 -3.997 3.454 3.317
166 HB2 TRP 25 1HB TRP 25 -2.214 1.012 3.542
167 HB3 TRP 25 2HB TRP 25 -2.510 2.234 4.787
168 HD1 TRP 25 HD TRP 25 -3.462 -1.122 4.092
169 HE1 TRP 25 1HE TRP 25 -5.694 -1.831 5.057
170 HE3 TRP 25 3HE TRP 25 -5.270 3.547 5.121
171 HZ2 TRP 25 2HZ TRP 25 -8.001 -0.539 6.138
172 HZ3 TRP 25 3HZ TRP 25 -7.548 3.751 6.129
173 HH2 TRP 25 HH TRP 25 -8.893 1.711 6.633
174 H LEU 26 H LEU 26 -1.836 1.948 0.950
175 HA LEU 26 HA LEU 26 0.436 3.627 1.429
176 HB2 LEU 26 1HB LEU 26 0.441 1.574 0.064
177 HB3 LEU 26 2HB LEU 26 -0.596 2.323 -1.116
178 HG LEU 26 HG LEU 26 1.853 1.971 -1.678
179 HD11 LEU 26 1HD1 LEU 26 1.928 3.918 -3.099
180 HD12 LEU 26 2HD1 LEU 26 0.733 4.757 -2.096
181 HD13 LEU 26 3HD1 LEU 26 0.260 3.316 -3.022
182 HD21 LEU 26 3HD2 LEU 26 2.191 4.505 -0.059
183 HD22 LEU 26 1HD2 LEU 26 3.408 3.731 -1.090
184 HD23 LEU 26 2HD2 LEU 26 2.828 2.900 0.366
185 H ASN 27 H ASN 27 -2.401 3.950 -0.726
186 HA ASN 27 HA ASN 27 -1.671 6.477 -1.835
187 HB2 ASN 27 1HB ASN 27 -3.421 4.879 -2.701
188 HB3 ASN 27 2HB ASN 27 -4.468 5.385 -1.367
189 HD21 ASN 27 2HD2 ASN 27 -5.902 6.881 -1.890
190 HD22 ASN 27 1HD2 ASN 27 -5.689 8.096 -3.125
191 H GLU 28 H GLU 28 -3.616 5.634 1.055
192 HA GLU 28 HA GLU 28 -4.465 8.339 1.570
193 HB2 GLU 28 1HB GLU 28 -4.313 5.817 3.224
194 HB3 GLU 28 2HB GLU 28 -4.826 7.353 3.936
195 HG2 GLU 28 1HG GLU 28 -6.729 7.506 2.537
196 HG3 GLU 28 2HG GLU 28 -6.134 6.246 1.448
197 H ALA 29 H ALA 29 -1.568 6.499 2.464
198 HA ALA 29 HA ALA 29 -0.670 8.502 4.378
199 HB1 ALA 29 3HB ALA 29 0.049 6.202 4.619
200 HB2 ALA 29 1HB ALA 29 0.734 6.196 2.981
201 HB3 ALA 29 2HB ALA 29 1.467 7.208 4.249
202 H GLY 30 H GLY 30 -0.760 8.272 0.947
203 HA2 GLY 30 1HA GLY 30 -0.208 9.920 -0.564
204 HA3 GLY 30 2HA GLY 30 0.491 10.872 0.751
205 H VAL 31 H VAL 31 1.709 7.647 0.444
206 HA VAL 31 HA VAL 31 4.272 8.801 -0.458
207 HB VAL 31 HB VAL 31 4.147 5.886 0.086
208 HG11 VAL 31 1HG1 VAL 31 6.234 7.157 -0.298
209 HG12 VAL 31 2HG1 VAL 31 5.910 8.109 1.173
210 HG13 VAL 31 3HG1 VAL 31 6.203 6.360 1.285
211 HG21 VAL 31 3HG2 VAL 31 4.149 6.213 2.577
212 HG22 VAL 31 1HG2 VAL 31 3.567 7.874 2.315
213 HG23 VAL 31 2HG2 VAL 31 2.583 6.476 1.804
214 H GLY 32 H GLY 32 5.272 8.189 -2.316
215 HA2 GLY 32 1HA GLY 32 3.699 6.894 -4.385
216 HA3 GLY 32 2HA GLY 32 5.425 7.325 -4.487
217 H LEU 33 H LEU 33 4.115 4.797 -5.284
218 HA LEU 33 HA LEU 33 4.870 2.779 -3.321
219 HB2 LEU 33 1HB LEU 33 3.073 2.494 -5.005
220 HB3 LEU 33 2HB LEU 33 4.254 2.604 -6.300
221 HG LEU 33 HG LEU 33 4.596 0.431 -4.256
222 HD11 LEU 33 1HD1 LEU 33 3.009 -0.992 -5.508
223 HD12 LEU 33 2HD1 LEU 33 2.538 0.409 -6.500
224 HD13 LEU 33 3HD1 LEU 33 2.198 0.394 -4.753
225 HD21 LEU 33 3HD2 LEU 33 6.240 0.687 -6.129
226 HD22 LEU 33 1HD2 LEU 33 4.922 0.481 -7.296
227 HD23 LEU 33 2HD2 LEU 33 5.369 -0.852 -6.209
228 H ASP 34 H ASP 34 6.820 1.663 -3.203
229 HA ASP 34 HA ASP 34 8.869 2.401 -5.273
230 HB2 ASP 34 1HB ASP 34 9.174 3.155 -2.789
231 HB3 ASP 34 2HB ASP 34 9.646 1.473 -2.519
232 H HIS 35 H HIS 35 7.866 -0.158 -2.940
233 HA HIS 35 HA HIS 35 8.936 -2.133 -4.911
234 HB2 HIS 35 1HB HIS 35 8.408 -2.697 -2.010
235 HB3 HIS 35 2HB HIS 35 9.279 -3.698 -3.166
236 HD1 HIS 35 1HD HIS 35 11.597 -2.349 -4.156
237 HD2 HIS 35 2HD HIS 35 10.049 -1.225 -0.455
238 HE1 HIS 35 1HE HIS 35 13.462 -1.144 -2.921
239 H GLU 36 H GLU 36 7.612 -3.953 -5.392
240 HA GLU 36 HA GLU 36 4.741 -3.694 -4.591
241 HB2 GLU 36 1HB GLU 36 6.159 -5.508 -6.598
242 HB3 GLU 36 2HB GLU 36 4.444 -5.613 -6.181
243 HG2 GLU 36 1HG GLU 36 4.132 -3.286 -7.012
244 HG3 GLU 36 2HG GLU 36 5.829 -3.268 -7.517
245 H GLY 37 H GLY 37 3.900 -5.438 -3.279
246 HA2 GLY 37 1HA GLY 37 4.099 -7.310 -1.897
247 HA3 GLY 37 2HA GLY 37 5.806 -7.488 -2.357
248 H GLU 38 H GLU 38 5.232 -7.771 0.241
249 HA GLU 38 HA GLU 38 5.470 -5.232 1.683
250 HB2 GLU 38 1HB GLU 38 5.958 -6.969 3.605
251 HB3 GLU 38 2HB GLU 38 4.323 -6.741 2.988
252 HG2 GLU 38 1HG GLU 38 4.427 -8.759 1.686
253 HG3 GLU 38 2HG GLU 38 6.143 -8.968 2.054
254 H CYS 39 H CYS 39 7.349 -4.612 2.918
255 HA CYS 39 HA CYS 39 9.860 -6.030 2.326
256 HB2 CYS 39 1HB CYS 39 10.887 -4.325 1.190
257 HB3 CYS 39 2HB CYS 39 9.273 -4.252 0.496
258 H LEU 40 H LEU 40 11.728 -4.762 3.379
259 HA LEU 40 HA LEU 40 11.009 -3.086 5.674
260 HB2 LEU 40 1HB LEU 40 11.498 -5.884 6.001
261 HB3 LEU 40 2HB LEU 40 12.992 -5.065 6.456
262 HG LEU 40 HG LEU 40 10.262 -4.410 7.622
263 HD11 LEU 40 1HD1 LEU 40 10.937 -6.707 8.174
264 HD12 LEU 40 2HD1 LEU 40 11.027 -5.659 9.604
265 HD13 LEU 40 3HD1 LEU 40 12.517 -6.119 8.745
266 HD21 LEU 40 3HD2 LEU 40 11.595 -3.270 9.377
267 HD22 LEU 40 1HD2 LEU 40 11.865 -2.554 7.775
268 HD23 LEU 40 2HD2 LEU 40 13.084 -3.638 8.473