NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
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8284 |
1lwa   |
cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 1 H5'' G 1 -7.038 24.012 -11.225
2 2H5* G 1 H5' G 1 -7.714 22.854 -12.314
3 H4* G 1 H4' G 1 -5.358 23.506 -13.103
4 H3* G 1 H3' G 1 -5.872 20.672 -12.232
5 H1* G 1 H1' G 1 -2.541 22.945 -12.197
6 H8 G 1 H8 G 1 -3.954 20.609 -9.316
7 H1 G 1 H1 G 1 2.079 22.651 -8.659
8 1H2 G 1 1H2 G 1 2.649 23.933 -10.367
9 2H2 G 1 2H2 G 1 1.547 24.296 -11.682
10 H5T G 1 H5T G 1 -6.377 22.276 -9.871
11 1H2* G 1 H2' G 1 -3.814 20.287 -11.677
12 2H2* G 1 H2'' G 1 -3.205 20.714 -13.251
13 1H5* G 2 H5'' G 2 -3.520 21.994 -15.494
14 2H5* G 2 H5' G 2 -3.287 21.071 -16.995
15 H4* G 2 H4' G 2 -1.172 22.147 -16.141
16 H3* G 2 H3' G 2 -1.540 19.284 -16.708
17 H1* G 2 H1' G 2 0.839 21.178 -14.300
18 H8 G 2 H8 G 2 -1.965 19.137 -12.464
19 H1 G 2 H1 G 2 3.734 19.173 -9.538
20 1H2 G 2 1H2 G 2 5.231 20.192 -10.818
21 2H2 G 2 2H2 G 2 4.824 20.860 -12.386
22 1H2* G 2 H2' G 2 -0.541 18.568 -14.907
23 2H2* G 2 H2'' G 2 1.021 19.174 -15.531
24 1H5* G 3 H5'' G 3 3.784 20.180 -17.672
25 2H5* G 3 H5' G 3 3.441 19.160 -19.064
26 H4* G 3 H4' G 3 5.410 18.269 -17.773
27 H3* G 3 H3' G 3 3.000 16.759 -18.343
28 H1* G 3 H1' G 3 5.421 16.398 -15.379
29 H8 G 3 H8 G 3 1.748 16.950 -14.648
30 H1 G 3 H1 G 3 5.339 16.195 -9.410
31 1H2 G 3 1H2 G 3 7.498 16.129 -9.993
32 2H2 G 3 2H2 G 3 8.015 16.274 -11.671
33 1H2* G 3 H2' G 3 2.604 16.176 -16.276
34 2H2* G 3 H2'' G 3 3.965 15.017 -16.493
35 1H5* G 4 H5'' G 4 6.949 14.869 -17.234
36 2H5* G 4 H5' G 4 7.318 13.509 -18.315
37 H4* G 4 H4' G 4 8.240 13.154 -16.054
38 H3* G 4 H3' G 4 6.366 11.344 -17.397
39 H1* G 4 H1' G 4 7.107 11.986 -13.668
40 H8 G 4 H8 G 4 3.369 12.647 -14.784
41 H1 G 4 H1 G 4 4.191 11.846 -8.501
42 1H2 G 4 1H2 G 4 6.331 11.461 -8.032
43 2H2 G 4 2H2 G 4 7.560 11.403 -9.279
44 1H2* G 4 H2' G 4 5.118 10.848 -15.510
45 2H2* G 4 H2'' G 4 6.529 10.143 -14.804
46 1H5* T 5 H5'' T 5 9.944 10.210 -14.885
47 2H5* T 5 H5' T 5 10.797 8.778 -15.508
48 H4* T 5 H4' T 5 11.037 9.208 -13.007
49 H3* T 5 H3' T 5 10.830 6.816 -14.350
50 1H2* T 5 H2' T 5 8.559 6.441 -13.720
51 2H2* T 5 H2'' T 5 9.389 5.745 -12.258
52 H1* T 5 H1' T 5 9.266 7.653 -11.041
53 H3 T 5 H3 T 5 4.934 7.561 -9.505
54 1H5M T 5 1H7 T 5 4.461 8.911 -14.519
55 2H5M T 5 2H7 T 5 3.252 7.781 -13.869
56 3H5M T 5 3H7 T 5 4.664 7.180 -14.789
57 H6 T 5 H6 T 5 6.969 7.897 -13.840
58 1H5* G 6 H5'' G 6 10.655 7.448 -9.380
59 2H5* G 6 H5' G 6 12.072 6.392 -9.063
60 H4* G 6 H4' G 6 10.612 6.309 -7.016
61 H3* G 6 H3' G 6 11.121 4.071 -8.629
62 H1* G 6 H1' G 6 8.215 4.958 -6.537
63 H8 G 6 H8 G 6 7.270 4.826 -10.301
64 H1 G 6 H1 G 6 2.070 4.965 -6.621
65 1H2 G 6 1H2 G 6 2.730 5.152 -4.422
66 2H2 G 6 2H2 G 6 4.423 5.233 -3.985
67 1H2* G 6 H2' G 6 8.921 3.817 -9.169
68 2H2* G 6 H2'' G 6 8.840 3.032 -7.565
69 1H5* A 7 H5'' A 7 9.198 4.173 -4.040
70 2H5* A 7 H5' A 7 10.429 2.986 -3.531
71 H4* A 7 H4' A 7 8.358 2.625 -2.075
72 H3* A 7 H3' A 7 9.437 0.650 -3.729
73 H1* A 7 H1' A 7 5.800 1.271 -2.896
74 H8 A 7 H8 A 7 7.230 1.909 -6.386
75 1H6 A 7 1H6 A 7 1.377 1.984 -8.498
76 2H6 A 7 2H6 A 7 3.059 2.098 -8.951
77 H2 A 7 H2 A 7 1.305 1.409 -4.027
78 1H2* A 7 H2' A 7 7.777 0.424 -4.950
79 2H2* A 7 H2'' A 7 6.949 -0.482 -3.642
80 1H5* T 8 H5'' T 8 6.197 -0.084 -0.661
81 2H5* T 8 H5' T 8 6.673 -1.475 0.282
82 H4* T 8 H4' T 8 4.247 -1.533 -0.008
83 H3* T 8 H3' T 8 6.005 -3.594 -0.785
84 1H2* T 8 H2' T 8 5.567 -3.470 -2.950
85 2H2* T 8 H2'' T 8 4.028 -4.345 -2.718
86 H1* T 8 H1' T 8 2.679 -2.673 -2.297
87 H3 T 8 H3 T 8 1.559 -2.121 -6.749
88 1H5M T 8 1H7 T 8 6.658 -1.096 -6.587
89 2H5M T 8 2H7 T 8 6.204 -2.422 -7.719
90 3H5M T 8 3H7 T 8 6.719 -2.798 -6.041
91 H6 T 8 H6 T 8 5.628 -2.169 -4.254
92 1H5* T 9 H5'' T 9 1.467 -3.908 -0.446
93 2H5* T 9 H5' T 9 1.023 -5.468 0.270
94 H4* T 9 H4' T 9 -0.701 -4.708 -1.365
95 H3* T 9 H3' T 9 0.481 -7.225 -1.202
96 1H2* T 9 H2' T 9 1.698 -7.086 -3.116
97 2H2* T 9 H2'' T 9 0.315 -7.478 -4.068
98 H1* T 9 H1' T 9 -0.604 -5.564 -4.296
99 H3 T 9 H3 T 9 1.416 -4.487 -8.271
100 1H5M T 9 1H7 T 9 5.649 -5.085 -6.463
101 2H5M T 9 2H7 T 9 5.290 -6.483 -5.453
102 3H5M T 9 3H7 T 9 5.367 -4.881 -4.730
103 H6 T 9 H6 T 9 2.911 -5.717 -3.908
104 1H5* G 10 H5'' G 10 -3.863 -7.400 -3.355
105 2H5* G 10 H5' G 10 -4.572 -8.925 -2.781
106 H4* G 10 H4' G 10 -5.098 -8.529 -5.198
107 H3* G 10 H3' G 10 -3.727 -10.886 -4.144
108 H1* G 10 H1' G 10 -3.371 -9.320 -7.554
109 H8 G 10 H8 G 10 -0.472 -9.402 -4.998
110 H1 G 10 H1 G 10 1.519 -7.901 -10.910
111 1H2 G 10 1H2 G 10 -0.235 -7.806 -12.295
112 2H2 G 10 2H2 G 10 -1.864 -8.117 -11.734
113 1H2* G 10 H2' G 10 -2.021 -10.865 -5.509
114 2H2* G 10 H2'' G 10 -3.086 -11.340 -6.770
115 1H5* T 11 H5'' T 11 -5.962 -10.648 -8.275
116 2H5* T 11 H5' T 11 -6.903 -12.173 -8.280
117 H4* T 11 H4' T 11 -6.287 -11.694 -10.650
118 H3* T 11 H3' T 11 -5.572 -13.982 -9.290
119 1H2* T 11 H2' T 11 -3.416 -13.793 -9.861
120 2H2* T 11 H2'' T 11 -3.888 -14.092 -11.621
121 H1* T 11 H1' T 11 -3.822 -12.070 -12.190
122 H3 T 11 H3 T 11 0.709 -11.193 -12.343
123 1H5M T 11 1H7 T 11 -0.410 -11.328 -7.208
124 2H5M T 11 2H7 T 11 1.201 -11.740 -7.827
125 3H5M T 11 3H7 T 11 0.021 -13.024 -7.523
126 H6 T 11 H6 T 11 -2.365 -12.303 -8.814
127 1H5* T 12 H5'' T 12 -5.669 -13.778 -13.660
128 2H5* T 12 H5' T 12 -6.149 -15.234 -14.460
129 H4* T 12 H4' T 12 -4.205 -14.237 -15.628
130 H3* T 12 H3' T 12 -4.417 -16.890 -14.612
131 1H2* T 12 H2' T 12 -2.599 -16.736 -13.446
132 2H2* T 12 H2'' T 12 -1.599 -17.021 -14.822
133 H1* T 12 H1' T 12 -1.399 -14.713 -15.332
134 H3 T 12 H3 T 12 2.321 -14.176 -12.746
135 1H5M T 12 1H7 T 12 -1.287 -16.277 -9.485
136 2H5M T 12 2H7 T 12 -1.402 -14.534 -9.147
137 3H5M T 12 3H7 T 12 0.120 -15.383 -8.918
138 H6 T 12 H6 T 12 -2.252 -15.368 -11.921
139 1H5* C 13 H5'' C 13 -1.355 -16.848 -18.572
140 2H5* C 13 H5' C 13 -1.663 -18.441 -19.273
141 H4* C 13 H4' C 13 0.787 -17.909 -19.115
142 H3* C 13 H3' C 13 -0.460 -20.311 -18.570
143 H1* C 13 H1' C 13 2.603 -18.721 -16.684
144 1H4 C 13 1H4 C 13 2.511 -17.314 -10.515
145 2H4 C 13 2H4 C 13 0.801 -17.736 -10.387
146 H5 C 13 H5 C 13 -0.500 -18.457 -12.257
147 H6 C 13 H6 C 13 -0.578 -18.931 -14.544
148 1H2* C 13 H2' C 13 -0.173 -20.062 -16.192
149 2H2* C 13 H2'' C 13 1.232 -20.978 -16.546
150 1H5* A 14 H5'' A 14 5.360 -19.939 -18.003
151 2H5* A 14 H5' A 14 5.072 -21.581 -18.626
152 H4* A 14 H4' A 14 6.586 -21.803 -16.759
153 H3* A 14 H3' A 14 3.747 -22.531 -16.355
154 H1* A 14 H1' A 14 6.751 -21.664 -14.015
155 H8 A 14 H8 A 14 3.073 -20.703 -13.583
156 1H6 A 14 1H6 A 14 4.854 -17.908 -8.342
157 2H6 A 14 2H6 A 14 3.476 -18.337 -9.353
158 H2 A 14 H2 A 14 8.495 -19.533 -10.514
159 1H2* A 14 H2' A 14 3.973 -22.514 -14.076
160 2H2* A 14 H2'' A 14 5.439 -23.441 -14.089
161 1H5* G 15 H5'' G 15 7.218 -24.535 -14.893
162 2H5* G 15 H5' G 15 7.317 -26.314 -15.030
163 H4* G 15 H4' G 15 8.418 -25.525 -12.973
164 H3* G 15 H3' G 15 6.128 -27.320 -12.966
165 H1* G 15 H1' G 15 7.695 -24.733 -10.376
166 H8 G 15 H8 G 15 3.954 -24.344 -11.439
167 H1 G 15 H1 G 15 5.508 -21.409 -5.959
168 1H2 G 15 1H2 G 15 7.647 -21.771 -5.482
169 2H2 G 15 2H2 G 15 8.687 -22.732 -6.512
170 H3T G 15 H3T G 15 7.646 -28.484 -11.653
171 1H2* G 15 H2' G 15 5.300 -26.412 -10.779
172 2H2* G 15 H2'' G 15 6.881 -26.892 -10.164
173 1H5* C 16 H5'' C 16 5.905 -19.659 2.300
174 2H5* C 16 H5' C 16 6.828 -18.148 2.523
175 H4* C 16 H4' C 16 8.056 -19.768 0.986
176 H3* C 16 H3' C 16 7.359 -17.004 0.473
177 H1* C 16 H1' C 16 7.696 -20.323 -1.971
178 1H4 C 16 1H4 C 16 2.639 -20.283 -5.850
179 2H4 C 16 2H4 C 16 1.647 -19.430 -4.663
180 H5 C 16 H5 C 16 2.521 -18.690 -2.530
181 H6 C 16 H6 C 16 4.528 -18.617 -1.095
182 H5T C 16 H5T C 16 5.504 -17.276 0.834
183 1H2* C 16 H2' C 16 6.699 -17.435 -1.815
184 2H2* C 16 H2'' C 16 8.368 -18.158 -2.206
185 1H5* T 17 H5'' T 17 11.014 -18.691 -1.909
186 2H5* T 17 H5' T 17 12.240 -17.412 -1.685
187 H4* T 17 H4' T 17 12.348 -18.372 -4.064
188 H3* T 17 H3' T 17 12.280 -15.683 -3.281
189 1H2* T 17 H2' T 17 10.221 -15.327 -4.196
190 2H2* T 17 H2'' T 17 11.167 -15.110 -5.718
191 H1* T 17 H1' T 17 10.809 -17.438 -6.395
192 H3 T 17 H3 T 17 6.653 -17.889 -8.143
193 1H5M T 17 1H7 T 17 6.020 -14.704 -3.943
194 2H5M T 17 2H7 T 17 5.550 -16.290 -3.302
195 3H5M T 17 3H7 T 17 4.642 -15.566 -4.646
196 H6 T 17 H6 T 17 8.249 -16.023 -4.026
197 1H5* G 18 H5'' G 18 12.756 -17.983 -8.402
198 2H5* G 18 H5' G 18 13.875 -16.664 -8.671
199 H4* G 18 H4' G 18 12.568 -17.041 -10.494
200 H3* G 18 H3' G 18 12.590 -14.517 -9.086
201 H1* G 18 H1' G 18 9.950 -15.868 -11.409
202 H8 G 18 H8 G 18 8.313 -15.132 -7.776
203 H1 G 18 H1 G 18 4.220 -16.785 -12.337
204 1H2 G 18 1H2 G 18 5.271 -17.241 -14.251
205 2H2 G 18 2H2 G 18 7.013 -17.132 -14.404
206 1H2* G 18 H2' G 18 10.462 -14.319 -8.877
207 2H2* G 18 H2'' G 18 10.480 -13.691 -10.532
208 1H5* A 19 H5'' A 19 12.346 -14.554 -14.096
209 2H5* A 19 H5' A 19 13.173 -13.009 -14.374
210 H4* A 19 H4' A 19 11.245 -13.487 -16.217
211 H3* A 19 H3' A 19 11.704 -11.044 -14.658
212 H1* A 19 H1' A 19 8.588 -12.735 -15.914
213 H8 A 19 H8 A 19 9.476 -12.607 -12.242
214 1H6 A 19 1H6 A 19 3.563 -13.819 -10.721
215 2H6 A 19 2H6 A 19 5.167 -13.522 -10.082
216 H2 A 19 H2 A 19 3.883 -13.618 -15.164
217 1H2* A 19 H2' A 19 9.762 -11.049 -13.760
218 2H2* A 19 H2'' A 19 9.187 -10.643 -15.414
219 1H5* A 20 H5'' A 20 9.136 -10.772 -18.500
220 2H5* A 20 H5' A 20 9.238 -9.152 -19.224
221 H4* A 20 H4' A 20 6.900 -10.074 -19.163
222 H3* A 20 H3' A 20 7.668 -7.417 -18.000
223 H1* A 20 H1' A 20 4.766 -9.858 -17.154
224 H8 A 20 H8 A 20 7.524 -8.864 -14.431
225 1H6 A 20 1H6 A 20 3.268 -10.429 -10.291
226 2H6 A 20 2H6 A 20 4.888 -9.850 -10.583
227 H2 A 20 H2 A 20 1.510 -11.005 -14.491
228 1H2* A 20 H2' A 20 6.455 -7.589 -16.336
229 2H2* A 20 H2'' A 20 4.997 -7.564 -17.323
230 1H5* C 21 H5'' C 21 3.489 -7.833 -19.756
231 2H5* C 21 H5' C 21 3.052 -6.272 -20.486
232 H4* C 21 H4' C 21 1.190 -7.110 -19.113
233 H3* C 21 H3' C 21 2.533 -4.563 -18.803
234 H1* C 21 H1' C 21 0.564 -6.898 -16.229
235 1H4 C 21 1H4 C 21 3.231 -7.401 -10.504
236 2H4 C 21 2H4 C 21 4.805 -6.867 -11.098
237 H5 C 21 H5 C 21 5.202 -6.301 -13.334
238 H6 C 21 H6 C 21 4.286 -6.085 -15.584
239 1H2* C 21 H2' C 21 2.612 -4.691 -16.409
240 2H2* C 21 H2'' C 21 0.779 -4.695 -16.542
241 1H5* A 22 H5'' A 22 -2.117 -5.367 -17.567
242 2H5* A 22 H5' A 22 -2.756 -3.829 -18.226
243 H4* A 22 H4' A 22 -4.079 -4.813 -16.190
244 H3* A 22 H3' A 22 -3.452 -2.159 -16.872
245 H1* A 22 H1' A 22 -3.482 -3.768 -13.518
246 H8 A 22 H8 A 22 -0.082 -2.676 -14.992
247 1H6 A 22 1H6 A 22 2.640 -3.964 -9.510
248 2H6 A 22 2H6 A 22 2.931 -3.369 -11.130
249 H2 A 22 H2 A 22 -1.729 -4.916 -9.235
250 1H2* A 22 H2' A 22 -1.883 -1.994 -15.363
251 2H2* A 22 H2'' A 22 -3.223 -1.478 -14.289
252 1H5* A 23 H5'' A 23 -6.315 -3.676 -12.828
253 2H5* A 23 H5' A 23 -7.380 -2.297 -13.158
254 H4* A 23 H4' A 23 -7.258 -2.708 -10.575
255 H3* A 23 H3' A 23 -6.968 -0.299 -12.025
256 H1* A 23 H1' A 23 -5.234 -1.495 -8.867
257 H8 A 23 H8 A 23 -3.338 -1.054 -12.163
258 1H6 A 23 1H6 A 23 2.025 -1.661 -9.036
259 2H6 A 23 2H6 A 23 1.320 -1.360 -10.607
260 H2 A 23 H2 A 23 -1.404 -2.201 -6.172
261 1H2* A 23 H2' A 23 -4.880 0.096 -11.323
262 2H2* A 23 H2'' A 23 -5.583 0.401 -9.675
263 1H5* T 24 H5'' T 24 -7.594 -0.347 -7.304
264 2H5* T 24 H5' T 24 -8.513 1.084 -6.867
265 H4* T 24 H4' T 24 -6.910 0.595 -5.256
266 H3* T 24 H3' T 24 -7.082 3.215 -6.424
267 1H2* T 24 H2' T 24 -4.680 3.336 -7.089
268 2H2* T 24 H2'' T 24 -4.449 3.376 -5.324
269 H1* T 24 H1' T 24 -3.684 1.232 -5.128
270 H3 T 24 H3 T 24 0.229 1.464 -7.229
271 1H5M T 24 1H7 T 24 -3.550 3.262 -10.296
272 2H5M T 24 2H7 T 24 -3.169 1.730 -11.163
273 3H5M T 24 3H7 T 24 -1.964 3.086 -11.110
274 H6 T 24 H6 T 24 -4.242 2.078 -8.747
275 1H5* C 25 H5'' C 25 -4.858 3.112 -2.278
276 2H5* C 25 H5' C 25 -5.518 4.553 -1.428
277 H4* C 25 H4' C 25 -3.138 4.056 -0.889
278 H3* C 25 H3' C 25 -4.058 6.595 -1.636
279 H1* C 25 H1' C 25 -0.604 5.034 -2.601
280 1H4 C 25 1H4 C 25 0.389 4.693 -8.886
281 2H4 C 25 2H4 C 25 -1.345 4.717 -9.220
282 H5 C 25 H5 C 25 -2.961 4.860 -7.510
283 H6 C 25 H6 C 25 -3.384 5.023 -5.064
284 1H2* C 25 H2' C 25 -2.951 6.622 -3.648
285 2H2* C 25 H2'' C 25 -1.555 7.210 -2.702
286 1H5* A 26 H5'' A 26 1.095 5.618 -0.207
287 2H5* A 26 H5' A 26 0.807 6.944 0.927
288 H4* A 26 H4' A 26 3.120 7.044 0.118
289 H3* A 26 H3' A 26 1.129 9.138 -0.501
290 H1* A 26 H1' A 26 4.351 8.127 -2.560
291 H8 A 26 H8 A 26 0.620 8.259 -3.729
292 1H6 A 26 1H6 A 26 2.879 7.958 -9.497
293 2H6 A 26 2H6 A 26 1.429 8.083 -8.527
294 H2 A 26 H2 A 26 6.328 7.795 -6.629
295 1H2* A 26 H2' A 26 1.970 9.822 -2.383
296 2H2* A 26 H2'' A 26 3.605 10.001 -1.678
297 1H5* C 27 H5'' C 27 5.126 9.323 0.067
298 2H5* C 27 H5' C 27 6.079 10.560 0.917
299 H4* C 27 H4' C 27 7.268 9.749 -1.120
300 H3* C 27 H3' C 27 6.448 12.533 -0.646
301 H1* C 27 H1' C 27 7.022 10.585 -4.000
302 1H4 C 27 1H4 C 27 2.246 12.365 -7.899
303 2H4 C 27 2H4 C 27 1.166 12.645 -6.532
304 H5 C 27 H5 C 27 1.860 12.373 -4.232
305 H6 C 27 H6 C 27 3.718 11.785 -2.768
306 1H2* C 27 H2' C 27 5.953 13.042 -2.706
307 2H2* C 27 H2'' C 27 7.600 12.614 -3.265
308 1H5* C 28 H5'' C 28 10.335 12.359 -3.279
309 2H5* C 28 H5' C 28 11.367 13.575 -2.494
310 H4* C 28 H4' C 28 11.372 13.851 -4.961
311 H3* C 28 H3' C 28 10.767 15.912 -3.007
312 H1* C 28 H1' C 28 9.539 15.281 -6.852
313 1H4 C 28 1H4 C 28 3.302 15.913 -7.840
314 2H4 C 28 2H4 C 28 2.925 15.337 -6.214
315 H5 C 28 H5 C 28 4.566 14.774 -4.633
316 H6 C 28 H6 C 28 6.965 14.603 -4.156
317 1H2* C 28 H2' C 28 8.729 16.439 -4.114
318 2H2* C 28 H2'' C 28 9.730 17.209 -5.373
319 1H5* C 29 H5'' C 29 11.842 17.265 -7.356
320 2H5* C 29 H5' C 29 13.069 18.535 -7.016
321 H4* C 29 H4' C 29 11.812 19.376 -8.872
322 H3* C 29 H3' C 29 11.303 20.560 -6.246
323 H1* C 29 H1' C 29 9.074 20.233 -9.434
324 1H4 C 29 1H4 C 29 3.221 18.240 -7.737
325 2H4 C 29 2H4 C 29 3.810 17.671 -6.172
326 H5 C 29 H5 C 29 6.119 17.879 -5.469
327 H6 C 29 H6 C 29 8.339 18.677 -6.120
328 1H2* C 29 H2' C 29 9.136 20.779 -6.480
329 2H2* C 29 H2'' C 29 9.362 21.914 -7.821
330 1H5* C 30 H5'' C 30 10.863 23.463 -10.032
331 2H5* C 30 H5' C 30 11.455 25.022 -9.417
332 H4* C 30 H4' C 30 9.430 25.350 -10.814
333 H3* C 30 H3' C 30 9.480 25.931 -7.906
334 H1* C 30 H1' C 30 6.560 25.073 -10.359
335 1H4 C 30 1H4 C 30 2.608 21.450 -6.856
336 2H4 C 30 2H4 C 30 3.886 21.052 -5.725
337 H5 C 30 H5 C 30 6.151 21.916 -5.910
338 H6 C 30 H6 C 30 7.643 23.328 -7.207
339 H3T C 30 H3T C 30 9.176 28.040 -8.711
340 1H2* C 30 H2' C 30 7.354 25.754 -7.586
341 2H2* C 30 H2'' C 30 6.922 26.853 -8.923
Start of MODEL 2
1 1H5* G 1 H5'' G 1 -0.962 26.838 -12.862
2 2H5* G 1 H5' G 1 -2.203 26.070 -13.781
3 H4* G 1 H4' G 1 0.109 25.590 -14.819
4 H3* G 1 H3' G 1 -1.529 23.297 -13.781
5 H1* G 1 H1' G 1 2.471 23.824 -14.115
6 H8 G 1 H8 G 1 0.458 22.202 -11.113
7 H1 G 1 H1 G 1 6.835 22.302 -10.542
8 1H2 G 1 1H2 G 1 7.754 23.316 -12.291
9 2H2 G 1 2H2 G 1 6.797 23.971 -13.603
10 H5T G 1 H5T G 1 -2.253 24.391 -12.279
11 1H2* G 1 H2' G 1 0.190 22.038 -13.325
12 2H2* G 1 H2'' G 1 0.769 22.103 -14.959
13 1H5* G 2 H5'' G 2 0.898 23.456 -17.312
14 2H5* G 2 H5' G 2 0.582 22.462 -18.752
15 H4* G 2 H4' G 2 3.012 22.518 -18.125
16 H3* G 2 H3' G 2 1.374 20.119 -18.455
17 H1* G 2 H1' G 2 4.520 20.748 -16.305
18 H8 G 2 H8 G 2 1.169 20.102 -14.307
19 H1 G 2 H1 G 2 6.592 18.743 -11.171
20 1H2 G 2 1H2 G 2 8.329 19.099 -12.492
21 2H2 G 2 2H2 G 2 8.161 19.669 -14.140
22 1H2* G 2 H2' G 2 1.991 19.147 -16.593
23 2H2* G 2 H2'' G 2 3.608 18.852 -17.309
24 1H5* G 3 H5'' G 3 6.218 18.767 -19.429
25 2H5* G 3 H5' G 3 5.725 17.752 -20.779
26 H4* G 3 H4' G 3 7.286 16.517 -19.302
27 H3* G 3 H3' G 3 4.585 15.605 -19.875
28 H1* G 3 H1' G 3 6.803 14.936 -16.818
29 H8 G 3 H8 G 3 3.367 16.429 -16.227
30 H1 G 3 H1 G 3 6.635 15.150 -10.866
31 1H2 G 3 1H2 G 3 8.678 14.479 -11.385
32 2H2 G 3 2H2 G 3 9.226 14.349 -13.056
33 1H2* G 3 H2' G 3 4.011 15.302 -17.788
34 2H2* G 3 H2'' G 3 5.047 13.831 -17.852
35 1H5* G 4 H5'' G 4 8.050 13.110 -18.460
36 2H5* G 4 H5' G 4 8.199 11.578 -19.345
37 H4* G 4 H4' G 4 9.061 11.426 -16.997
38 H3* G 4 H3' G 4 7.065 9.664 -18.207
39 H1* G 4 H1' G 4 7.762 10.706 -14.565
40 H8 G 4 H8 G 4 4.170 11.687 -15.879
41 H1 G 4 H1 G 4 4.602 11.165 -9.524
42 1H2 G 4 1H2 G 4 6.652 10.546 -8.926
43 2H2 G 4 2H2 G 4 7.919 10.261 -10.101
44 1H2* G 4 H2' G 4 5.713 9.562 -16.341
45 2H2* G 4 H2'' G 4 7.020 8.788 -15.511
46 1H5* T 5 H5'' T 5 10.066 9.195 -14.914
47 2H5* T 5 H5' T 5 11.046 7.772 -15.320
48 H4* T 5 H4' T 5 11.133 8.426 -12.885
49 H3* T 5 H3' T 5 11.019 5.908 -13.953
50 1H2* T 5 H2' T 5 8.694 5.598 -13.421
51 2H2* T 5 H2'' T 5 9.439 5.044 -11.852
52 H1* T 5 H1' T 5 9.284 7.070 -10.841
53 H3 T 5 H3 T 5 4.832 7.194 -9.551
54 1H5M T 5 1H7 T 5 4.801 7.958 -14.744
55 2H5M T 5 2H7 T 5 3.440 7.055 -14.035
56 3H5M T 5 3H7 T 5 4.838 6.196 -14.757
57 H6 T 5 H6 T 5 7.138 7.032 -13.767
58 1H5* G 6 H5'' G 6 10.440 7.175 -9.003
59 2H5* G 6 H5' G 6 11.905 6.204 -8.599
60 H4* G 6 H4' G 6 10.409 6.171 -6.577
61 H3* G 6 H3' G 6 11.000 3.871 -8.096
62 H1* G 6 H1' G 6 7.996 4.808 -6.084
63 H8 G 6 H8 G 6 7.228 4.326 -9.868
64 H1 G 6 H1 G 6 1.837 4.830 -6.494
65 1H2 G 6 1H2 G 6 2.356 5.246 -4.324
66 2H2 G 6 2H2 G 6 4.011 5.388 -3.773
67 1H2* G 6 H2' G 6 8.834 3.456 -8.583
68 2H2* G 6 H2'' G 6 8.764 2.845 -6.910
69 1H5* A 7 H5'' A 7 9.280 3.998 -3.701
70 2H5* A 7 H5' A 7 10.419 2.813 -2.994
71 H4* A 7 H4' A 7 8.272 2.659 -1.656
72 H3* A 7 H3' A 7 9.255 0.508 -3.191
73 H1* A 7 H1' A 7 5.699 1.439 -2.354
74 H8 A 7 H8 A 7 7.094 1.676 -5.912
75 1H6 A 7 1H6 A 7 1.236 1.700 -8.004
76 2H6 A 7 2H6 A 7 2.915 1.712 -8.477
77 H2 A 7 H2 A 7 1.165 1.618 -3.504
78 1H2* A 7 H2' A 7 7.561 0.292 -4.364
79 2H2* A 7 H2'' A 7 6.689 -0.447 -2.963
80 1H5* T 8 H5'' T 8 6.055 0.018 -0.162
81 2H5* T 8 H5' T 8 6.550 -1.254 0.910
82 H4* T 8 H4' T 8 4.127 -1.405 0.625
83 H3* T 8 H3' T 8 5.886 -3.500 0.003
84 1H2* T 8 H2' T 8 5.493 -3.478 -2.194
85 2H2* T 8 H2'' T 8 3.967 -4.362 -1.940
86 H1* T 8 H1' T 8 2.587 -2.695 -1.603
87 H3 T 8 H3 T 8 1.466 -2.346 -6.059
88 1H5M T 8 1H7 T 8 6.637 -2.955 -5.311
89 2H5M T 8 2H7 T 8 6.576 -1.285 -5.960
90 3H5M T 8 3H7 T 8 6.126 -2.680 -7.016
91 H6 T 8 H6 T 8 5.537 -2.255 -3.562
92 1H5* T 9 H5'' T 9 1.259 -3.859 0.081
93 2H5* T 9 H5' T 9 0.879 -5.389 0.887
94 H4* T 9 H4' T 9 -0.796 -4.880 -0.854
95 H3* T 9 H3' T 9 0.587 -7.288 -0.547
96 1H2* T 9 H2' T 9 1.843 -7.138 -2.419
97 2H2* T 9 H2'' T 9 0.545 -7.706 -3.361
98 H1* T 9 H1' T 9 -0.531 -5.863 -3.730
99 H3 T 9 H3 T 9 1.527 -4.831 -7.720
100 1H5M T 9 1H7 T 9 5.738 -5.143 -5.798
101 2H5M T 9 2H7 T 9 5.412 -6.387 -4.589
102 3H5M T 9 3H7 T 9 5.384 -4.690 -4.128
103 H6 T 9 H6 T 9 2.975 -5.734 -3.264
104 1H5* G 10 H5'' G 10 -3.473 -7.077 -3.329
105 2H5* G 10 H5' G 10 -4.204 -8.647 -2.936
106 H4* G 10 H4' G 10 -4.754 -7.912 -5.281
107 H3* G 10 H3' G 10 -3.554 -10.459 -4.548
108 H1* G 10 H1' G 10 -3.111 -8.578 -7.734
109 H8 G 10 H8 G 10 -0.181 -8.843 -5.255
110 H1 G 10 H1 G 10 1.729 -7.192 -11.152
111 1H2 G 10 1H2 G 10 -0.060 -7.032 -12.499
112 2H2 G 10 2H2 G 10 -1.678 -7.337 -11.903
113 1H2* G 10 H2' G 10 -1.761 -10.269 -5.805
114 2H2* G 10 H2'' G 10 -2.772 -10.662 -7.147
115 1H5* T 11 H5'' T 11 -5.689 -9.561 -8.890
116 2H5* T 11 H5' T 11 -6.692 -11.046 -8.882
117 H4* T 11 H4' T 11 -6.101 -10.575 -11.254
118 H3* T 11 H3' T 11 -5.508 -12.902 -9.956
119 1H2* T 11 H2' T 11 -3.324 -12.804 -10.434
120 2H2* T 11 H2'' T 11 -3.725 -13.082 -12.220
121 H1* T 11 H1' T 11 -3.580 -11.075 -12.791
122 H3 T 11 H3 T 11 0.964 -10.282 -12.790
123 1H5M T 11 1H7 T 11 0.090 -12.246 -8.055
124 2H5M T 11 2H7 T 11 -0.279 -10.550 -7.687
125 3H5M T 11 3H7 T 11 1.335 -11.005 -8.281
126 H6 T 11 H6 T 11 -2.210 -11.408 -9.345
127 1H5* T 12 H5'' T 12 -5.343 -12.789 -14.370
128 2H5* T 12 H5' T 12 -5.895 -14.256 -15.107
129 H4* T 12 H4' T 12 -3.813 -13.492 -16.212
130 H3* T 12 H3' T 12 -4.252 -16.038 -15.006
131 1H2* T 12 H2' T 12 -2.469 -15.938 -13.810
132 2H2* T 12 H2'' T 12 -1.408 -16.329 -15.108
133 H1* T 12 H1' T 12 -1.070 -14.055 -15.713
134 H3 T 12 H3 T 12 2.471 -13.541 -12.917
135 1H5M T 12 1H7 T 12 0.020 -14.658 -9.238
136 2H5M T 12 2H7 T 12 -1.475 -15.359 -9.860
137 3H5M T 12 3H7 T 12 -1.383 -13.616 -9.504
138 H6 T 12 H6 T 12 -2.185 -14.535 -12.332
139 1H5* C 13 H5'' C 13 -1.101 -16.416 -18.790
140 2H5* C 13 H5' C 13 -1.422 -18.035 -19.424
141 H4* C 13 H4' C 13 1.029 -17.549 -19.213
142 H3* C 13 H3' C 13 -0.270 -19.894 -18.560
143 H1* C 13 H1' C 13 2.760 -18.205 -16.670
144 1H4 C 13 1H4 C 13 2.487 -16.240 -10.681
145 2H4 C 13 2H4 C 13 0.772 -16.669 -10.552
146 H5 C 13 H5 C 13 -0.477 -17.584 -12.391
147 H6 C 13 H6 C 13 -0.486 -18.269 -14.625
148 1H2* C 13 H2' C 13 -0.042 -19.515 -16.191
149 2H2* C 13 H2'' C 13 1.373 -20.452 -16.443
150 1H5* A 14 H5'' A 14 5.490 -19.404 -17.989
151 2H5* A 14 H5' A 14 5.282 -21.100 -18.479
152 H4* A 14 H4' A 14 6.821 -21.079 -16.622
153 H3* A 14 H3' A 14 4.041 -21.995 -16.176
154 H1* A 14 H1' A 14 6.969 -20.811 -13.890
155 H8 A 14 H8 A 14 3.247 -19.978 -13.466
156 1H6 A 14 1H6 A 14 4.996 -16.883 -8.371
157 2H6 A 14 2H6 A 14 3.618 -17.403 -9.338
158 H2 A 14 H2 A 14 8.662 -18.470 -10.514
159 1H2* A 14 H2' A 14 4.212 -21.764 -13.926
160 2H2* A 14 H2'' A 14 5.711 -22.639 -13.823
161 1H5* G 15 H5'' G 15 7.645 -23.726 -14.432
162 2H5* G 15 H5' G 15 7.763 -25.508 -14.572
163 H4* G 15 H4' G 15 8.737 -24.763 -12.441
164 H3* G 15 H3' G 15 6.391 -26.497 -12.613
165 H1* G 15 H1' G 15 7.790 -23.925 -9.876
166 H8 G 15 H8 G 15 4.137 -23.625 -11.257
167 H1 G 15 H1 G 15 5.241 -20.421 -5.811
168 1H2 G 15 1H2 G 15 7.334 -20.733 -5.163
169 2H2 G 15 2H2 G 15 8.465 -21.724 -6.061
170 H3T G 15 H3T G 15 8.779 -26.668 -11.111
171 1H2* G 15 H2' G 15 5.474 -25.648 -10.422
172 2H2* G 15 H2'' G 15 7.030 -26.111 -9.762
173 1H5* C 16 H5'' C 16 6.238 -17.379 2.446
174 2H5* C 16 H5' C 16 7.250 -15.908 2.438
175 H4* C 16 H4' C 16 8.429 -17.797 1.235
176 H3* C 16 H3' C 16 7.808 -15.175 0.195
177 H1* C 16 H1' C 16 8.109 -18.915 -1.550
178 1H4 C 16 1H4 C 16 3.163 -19.498 -5.570
179 2H4 C 16 2H4 C 16 2.160 -18.449 -4.562
180 H5 C 16 H5 C 16 2.976 -17.377 -2.563
181 H6 C 16 H6 C 16 4.946 -17.078 -1.089
182 H5T C 16 H5T C 16 6.030 -15.206 0.647
183 1H2* C 16 H2' C 16 7.135 -16.043 -1.976
184 2H2* C 16 H2'' C 16 8.802 -16.843 -2.220
185 1H5* T 17 H5'' T 17 11.334 -17.100 -2.082
186 2H5* T 17 H5' T 17 12.569 -15.820 -1.940
187 H4* T 17 H4' T 17 12.605 -16.837 -4.281
188 H3* T 17 H3' T 17 12.468 -14.112 -3.598
189 1H2* T 17 H2' T 17 10.395 -13.847 -4.524
190 2H2* T 17 H2'' T 17 11.330 -13.694 -6.059
191 H1* T 17 H1' T 17 10.995 -16.077 -6.612
192 H3 T 17 H3 T 17 6.861 -16.668 -8.293
193 1H5M T 17 1H7 T 17 6.061 -13.360 -4.287
194 2H5M T 17 2H7 T 17 5.926 -14.895 -3.407
195 3H5M T 17 3H7 T 17 4.789 -14.521 -4.719
196 H6 T 17 H6 T 17 8.458 -14.653 -4.246
197 1H5* G 18 H5'' G 18 12.965 -16.725 -8.571
198 2H5* G 18 H5' G 18 14.043 -15.395 -8.939
199 H4* G 18 H4' G 18 12.715 -15.939 -10.705
200 H3* G 18 H3' G 18 12.687 -13.323 -9.484
201 H1* G 18 H1' G 18 10.051 -14.943 -11.665
202 H8 G 18 H8 G 18 8.441 -13.807 -8.121
203 H1 G 18 H1 G 18 4.317 -16.154 -12.350
204 1H2 G 18 1H2 G 18 5.372 -16.846 -14.214
205 2H2 G 18 2H2 G 18 7.109 -16.717 -14.397
206 1H2* G 18 H2' G 18 10.555 -13.125 -9.307
207 2H2* G 18 H2'' G 18 10.547 -12.672 -11.013
208 1H5* A 19 H5'' A 19 12.272 -13.801 -14.627
209 2H5* A 19 H5' A 19 13.111 -12.257 -14.887
210 H4* A 19 H4' A 19 11.205 -12.709 -16.756
211 H3* A 19 H3' A 19 11.637 -10.292 -15.134
212 H1* A 19 H1' A 19 8.534 -11.991 -16.492
213 H8 A 19 H8 A 19 9.396 -11.852 -12.804
214 1H6 A 19 1H6 A 19 3.468 -13.130 -11.339
215 2H6 A 19 2H6 A 19 5.058 -12.818 -10.679
216 H2 A 19 H2 A 19 3.865 -12.914 -15.792
217 1H2* A 19 H2' A 19 9.638 -10.296 -14.324
218 2H2* A 19 H2'' A 19 9.105 -9.907 -16.009
219 1H5* A 20 H5'' A 20 9.288 -9.738 -19.075
220 2H5* A 20 H5' A 20 9.392 -8.070 -19.679
221 H4* A 20 H4' A 20 7.053 -9.030 -19.665
222 H3* A 20 H3' A 20 7.805 -6.410 -18.401
223 H1* A 20 H1' A 20 4.953 -8.937 -17.579
224 H8 A 20 H8 A 20 7.742 -7.940 -14.870
225 1H6 A 20 1H6 A 20 3.563 -9.702 -10.730
226 2H6 A 20 2H6 A 20 5.168 -9.077 -11.014
227 H2 A 20 H2 A 20 1.766 -10.232 -14.886
228 1H2* A 20 H2' A 20 6.629 -6.649 -16.732
229 2H2* A 20 H2'' A 20 5.149 -6.621 -17.699
230 1H5* C 21 H5'' C 21 3.704 -6.834 -20.135
231 2H5* C 21 H5' C 21 3.020 -5.304 -20.711
232 H4* C 21 H4' C 21 1.418 -6.600 -19.329
233 H3* C 21 H3' C 21 2.058 -3.848 -19.141
234 H1* C 21 H1' C 21 0.835 -6.408 -16.478
235 1H4 C 21 1H4 C 21 3.370 -6.569 -10.700
236 2H4 C 21 2H4 C 21 4.951 -6.003 -11.227
237 H5 C 21 H5 C 21 5.386 -5.458 -13.555
238 H6 C 21 H6 C 21 4.468 -5.334 -15.805
239 1H2* C 21 H2' C 21 2.788 -4.088 -16.840
240 2H2* C 21 H2'' C 21 1.007 -3.986 -16.579
241 1H5* A 22 H5'' A 22 -2.468 -5.881 -17.030
242 2H5* A 22 H5' A 22 -3.259 -4.364 -17.536
243 H4* A 22 H4' A 22 -4.258 -5.468 -15.428
244 H3* A 22 H3' A 22 -3.777 -2.725 -16.004
245 H1* A 22 H1' A 22 -3.598 -4.602 -12.774
246 H8 A 22 H8 A 22 -0.429 -3.397 -14.382
247 1H6 A 22 1H6 A 22 2.681 -4.270 -8.977
248 2H6 A 22 2H6 A 22 2.864 -3.752 -10.636
249 H2 A 22 H2 A 22 -1.652 -5.366 -8.458
250 1H2* A 22 H2' A 22 -2.243 -2.477 -14.469
251 2H2* A 22 H2'' A 22 -3.598 -2.263 -13.339
252 1H5* A 23 H5'' A 23 -6.401 -4.568 -11.896
253 2H5* A 23 H5' A 23 -7.569 -3.278 -12.215
254 H4* A 23 H4' A 23 -7.412 -3.669 -9.644
255 H3* A 23 H3' A 23 -7.300 -1.250 -11.059
256 H1* A 23 H1' A 23 -5.479 -2.306 -7.949
257 H8 A 23 H8 A 23 -3.560 -1.924 -11.239
258 1H6 A 23 1H6 A 23 1.782 -2.014 -8.001
259 2H6 A 23 2H6 A 23 1.098 -1.846 -9.600
260 H2 A 23 H2 A 23 -1.667 -2.603 -5.183
261 1H2* A 23 H2' A 23 -5.180 -0.832 -10.489
262 2H2* A 23 H2'' A 23 -5.810 -0.438 -8.812
263 1H5* T 24 H5'' T 24 -7.592 -1.018 -6.204
264 2H5* T 24 H5' T 24 -8.572 0.413 -5.906
265 H4* T 24 H4' T 24 -6.871 0.297 -4.370
266 H3* T 24 H3' T 24 -7.212 2.629 -6.031
267 1H2* T 24 H2' T 24 -4.809 2.824 -6.679
268 2H2* T 24 H2'' T 24 -4.568 3.108 -4.939
269 H1* T 24 H1' T 24 -3.693 1.054 -4.465
270 H3 T 24 H3 T 24 0.154 1.151 -6.698
271 1H5M T 24 1H7 T 24 -3.784 2.312 -9.868
272 2H5M T 24 2H7 T 24 -3.384 0.670 -10.502
273 3H5M T 24 3H7 T 24 -2.224 2.050 -10.722
274 H6 T 24 H6 T 24 -4.380 1.331 -8.142
275 1H5* C 25 H5'' C 25 -5.318 3.426 -1.954
276 2H5* C 25 H5' C 25 -6.045 4.961 -1.355
277 H4* C 25 H4' C 25 -3.678 4.613 -0.648
278 H3* C 25 H3' C 25 -4.634 6.972 -1.824
279 H1* C 25 H1' C 25 -1.096 5.390 -2.353
280 1H4 C 25 1H4 C 25 0.326 4.212 -8.450
281 2H4 C 25 2H4 C 25 -1.386 4.097 -8.884
282 H5 C 25 H5 C 25 -3.145 4.405 -7.290
283 H6 C 25 H6 C 25 -3.698 4.899 -4.924
284 1H2* C 25 H2' C 25 -3.424 6.721 -3.753
285 2H2* C 25 H2'' C 25 -2.096 7.507 -2.853
286 1H5* A 26 H5'' A 26 0.520 6.179 0.004
287 2H5* A 26 H5' A 26 0.219 7.699 0.837
288 H4* A 26 H4' A 26 2.528 7.587 -0.050
289 H3* A 26 H3' A 26 0.579 9.649 -0.704
290 H1* A 26 H1' A 26 3.671 8.374 -2.732
291 H8 A 26 H8 A 26 0.052 8.079 -4.230
292 1H6 A 26 1H6 A 26 2.870 7.297 -9.691
293 2H6 A 26 2H6 A 26 1.324 7.418 -8.882
294 H2 A 26 H2 A 26 6.029 7.722 -6.549
295 1H2* A 26 H2' A 26 0.959 9.683 -2.841
296 2H2* A 26 H2'' A 26 2.554 10.422 -2.506
297 1H5* C 27 H5'' C 27 4.796 9.398 -0.633
298 2H5* C 27 H5' C 27 5.782 10.723 0.018
299 H4* C 27 H4' C 27 7.005 9.383 -1.723
300 H3* C 27 H3' C 27 6.485 12.288 -1.834
301 H1* C 27 H1' C 27 6.968 9.691 -4.773
302 1H4 C 27 1H4 C 27 2.636 11.749 -9.056
303 2H4 C 27 2H4 C 27 1.531 12.216 -7.759
304 H5 C 27 H5 C 27 2.096 12.032 -5.420
305 H6 C 27 H6 C 27 3.844 11.364 -3.832
306 1H2* C 27 H2' C 27 6.380 12.494 -4.004
307 2H2* C 27 H2'' C 27 7.934 11.634 -4.240
308 1H5* C 28 H5'' C 28 10.141 10.978 -4.091
309 2H5* C 28 H5' C 28 11.504 11.880 -3.397
310 H4* C 28 H4' C 28 11.670 11.772 -5.901
311 H3* C 28 H3' C 28 11.819 14.153 -4.282
312 H1* C 28 H1' C 28 10.430 13.457 -8.078
313 1H4 C 28 1H4 C 28 4.724 15.944 -9.333
314 2H4 C 28 2H4 C 28 4.203 15.746 -7.657
315 H5 C 28 H5 C 28 5.600 14.891 -5.958
316 H6 C 28 H6 C 28 7.798 14.022 -5.403
317 1H2* C 28 H2' C 28 10.046 15.164 -5.542
318 2H2* C 28 H2'' C 28 11.250 15.398 -6.838
319 1H5* C 29 H5'' C 29 13.257 14.467 -8.791
320 2H5* C 29 H5' C 29 14.904 15.074 -8.387
321 H4* C 29 H4' C 29 14.365 16.183 -10.423
322 H3* C 29 H3' C 29 14.317 17.715 -7.970
323 H1* C 29 H1' C 29 12.147 18.223 -11.235
324 1H4 C 29 1H4 C 29 5.968 18.424 -9.503
325 2H4 C 29 2H4 C 29 6.363 17.893 -7.866
326 H5 C 29 H5 C 29 8.613 17.408 -7.126
327 H6 C 29 H6 C 29 10.960 17.331 -7.793
328 1H2* C 29 H2' C 29 12.459 18.806 -8.309
329 2H2* C 29 H2'' C 29 13.180 19.647 -9.708
330 1H5* C 30 H5'' C 30 15.307 20.408 -11.697
331 2H5* C 30 H5' C 30 16.403 21.670 -11.090
332 H4* C 30 H4' C 30 14.592 22.678 -12.446
333 H3* C 30 H3' C 30 14.784 23.155 -9.508
334 H1* C 30 H1' C 30 11.793 23.359 -12.013
335 1H4 C 30 1H4 C 30 6.930 21.254 -8.436
336 2H4 C 30 2H4 C 30 8.015 20.713 -7.170
337 H5 C 30 H5 C 30 10.430 20.952 -7.299
338 H6 C 30 H6 C 30 12.287 21.760 -8.678
339 H3T C 30 H3T C 30 16.187 24.263 -10.996
340 1H2* C 30 H2' C 30 12.758 23.854 -9.265
341 2H2* C 30 H2'' C 30 12.796 24.955 -10.671
Start of MODEL 3
1 1H5* G 1 H5'' G 1 -4.122 26.311 -13.453
2 2H5* G 1 H5' G 1 -5.238 25.142 -14.059
3 H4* G 1 H4' G 1 -2.993 24.929 -15.278
4 H3* G 1 H3' G 1 -3.993 22.630 -13.633
5 H1* G 1 H1' G 1 -0.240 23.832 -14.574
6 H8 G 1 H8 G 1 -1.629 22.697 -11.038
7 H1 G 1 H1 G 1 4.689 23.620 -11.402
8 1H2 G 1 1H2 G 1 5.272 24.284 -13.430
9 2H2 G 1 2H2 G 1 4.107 24.509 -14.721
10 H5T G 1 H5T G 1 -3.610 24.863 -11.748
11 1H2* G 1 H2' G 1 -2.008 21.875 -13.116
12 2H2* G 1 H2'' G 1 -1.585 21.664 -14.778
13 1H5* G 2 H5'' G 2 -1.864 22.523 -17.329
14 2H5* G 2 H5' G 2 -2.185 21.287 -18.565
15 H4* G 2 H4' G 2 0.239 21.886 -18.350
16 H3* G 2 H3' G 2 -0.895 19.251 -18.356
17 H1* G 2 H1' G 2 2.248 20.466 -16.369
18 H8 G 2 H8 G 2 -0.993 19.640 -14.283
19 H1 G 2 H1 G 2 4.539 19.566 -11.037
20 1H2 G 2 1H2 G 2 6.214 19.996 -12.402
21 2H2 G 2 2H2 G 2 5.984 20.301 -14.110
22 1H2* G 2 H2' G 2 -0.113 18.574 -16.391
23 2H2* G 2 H2'' G 2 1.475 18.399 -17.195
24 1H5* G 3 H5'' G 3 4.181 19.069 -19.475
25 2H5* G 3 H5' G 3 3.927 17.846 -20.718
26 H4* G 3 H4' G 3 5.915 17.298 -19.286
27 H3* G 3 H3' G 3 3.692 15.516 -19.764
28 H1* G 3 H1' G 3 5.942 15.734 -16.663
29 H8 G 3 H8 G 3 2.199 16.221 -16.164
30 H1 G 3 H1 G 3 5.551 16.031 -10.705
31 1H2 G 3 1H2 G 3 7.722 15.938 -11.168
32 2H2 G 3 2H2 G 3 8.331 15.924 -12.825
33 1H2* G 3 H2' G 3 3.174 15.235 -17.649
34 2H2* G 3 H2'' G 3 4.608 14.123 -17.635
35 1H5* G 4 H5'' G 4 7.666 14.068 -18.055
36 2H5* G 4 H5' G 4 8.192 12.594 -18.889
37 H4* G 4 H4' G 4 8.881 12.588 -16.507
38 H3* G 4 H3' G 4 7.222 10.531 -17.784
39 H1* G 4 H1' G 4 7.572 11.710 -14.133
40 H8 G 4 H8 G 4 3.945 12.071 -15.650
41 H1 G 4 H1 G 4 4.160 11.724 -9.279
42 1H2 G 4 1H2 G 4 6.251 11.458 -8.588
43 2H2 G 4 2H2 G 4 7.602 11.367 -9.697
44 1H2* G 4 H2' G 4 5.825 10.226 -15.987
45 2H2* G 4 H2'' G 4 7.201 9.688 -15.082
46 1H5* T 5 H5'' T 5 10.128 10.275 -14.301
47 2H5* T 5 H5' T 5 11.167 8.885 -14.700
48 H4* T 5 H4' T 5 11.124 9.434 -12.272
49 H3* T 5 H3' T 5 11.077 6.956 -13.452
50 1H2* T 5 H2' T 5 8.781 6.553 -12.972
51 2H2* T 5 H2'' T 5 9.500 5.989 -11.399
52 H1* T 5 H1' T 5 9.234 7.984 -10.343
53 H3 T 5 H3 T 5 4.785 7.941 -9.154
54 1H5M T 5 1H7 T 5 3.482 7.972 -13.657
55 2H5M T 5 2H7 T 5 4.835 7.011 -14.334
56 3H5M T 5 3H7 T 5 4.907 8.781 -14.368
57 H6 T 5 H6 T 5 7.202 7.944 -13.327
58 1H5* G 6 H5'' G 6 10.358 8.128 -8.486
59 2H5* G 6 H5' G 6 11.855 7.200 -8.095
60 H4* G 6 H4' G 6 10.355 7.093 -6.080
61 H3* G 6 H3' G 6 11.094 4.837 -7.577
62 H1* G 6 H1' G 6 7.989 5.541 -5.645
63 H8 G 6 H8 G 6 7.340 5.120 -9.453
64 H1 G 6 H1 G 6 1.900 5.294 -6.124
65 1H2 G 6 1H2 G 6 2.391 5.674 -3.925
66 2H2 G 6 2H2 G 6 4.041 5.869 -3.370
67 1H2* G 6 H2' G 6 8.965 4.304 -8.152
68 2H2* G 6 H2'' G 6 8.888 3.659 -6.488
69 1H5* A 7 H5'' A 7 9.192 4.522 -3.134
70 2H5* A 7 H5' A 7 10.403 3.339 -2.531
71 H4* A 7 H4' A 7 8.242 2.880 -1.362
72 H3* A 7 H3' A 7 9.455 1.000 -3.105
73 H1* A 7 H1' A 7 5.796 1.537 -2.339
74 H8 A 7 H8 A 7 7.265 2.239 -5.811
75 1H6 A 7 1H6 A 7 1.420 2.207 -7.932
76 2H6 A 7 2H6 A 7 3.098 2.348 -8.387
77 H2 A 7 H2 A 7 1.331 1.645 -3.471
78 1H2* A 7 H2' A 7 7.812 0.760 -4.368
79 2H2* A 7 H2'' A 7 6.971 -0.183 -3.084
80 1H5* T 8 H5'' T 8 6.193 -0.045 -0.267
81 2H5* T 8 H5' T 8 6.721 -1.405 0.670
82 H4* T 8 H4' T 8 4.337 -1.673 0.272
83 H3* T 8 H3' T 8 6.258 -3.563 -0.540
84 1H2* T 8 H2' T 8 5.835 -3.380 -2.731
85 2H2* T 8 H2'' T 8 4.413 -4.348 -2.558
86 H1* T 8 H1' T 8 2.906 -2.760 -2.104
87 H3 T 8 H3 T 8 1.846 -2.081 -6.513
88 1H5M T 8 1H7 T 8 6.506 -1.997 -7.420
89 2H5M T 8 2H7 T 8 7.027 -2.449 -5.730
90 3H5M T 8 3H7 T 8 6.853 -0.713 -6.190
91 H6 T 8 H6 T 8 5.883 -1.969 -3.923
92 1H5* T 9 H5'' T 9 1.715 -3.963 -0.461
93 2H5* T 9 H5' T 9 1.317 -5.525 0.267
94 H4* T 9 H4' T 9 -0.401 -4.861 -1.398
95 H3* T 9 H3' T 9 0.906 -7.328 -1.216
96 1H2* T 9 H2' T 9 2.107 -7.144 -3.138
97 2H2* T 9 H2'' T 9 0.765 -7.613 -4.032
98 H1* T 9 H1' T 9 -0.215 -5.732 -4.334
99 H3 T 9 H3 T 9 1.888 -4.662 -8.266
100 1H5M T 9 1H7 T 9 5.704 -6.377 -5.121
101 2H5M T 9 2H7 T 9 5.711 -4.669 -4.651
102 3H5M T 9 3H7 T 9 6.082 -5.125 -6.327
103 H6 T 9 H6 T 9 3.287 -5.716 -3.821
104 1H5* G 10 H5'' G 10 -3.371 -7.423 -3.293
105 2H5* G 10 H5' G 10 -4.158 -8.939 -2.794
106 H4* G 10 H4' G 10 -4.712 -8.341 -5.170
107 H3* G 10 H3' G 10 -3.549 -10.855 -4.301
108 H1* G 10 H1' G 10 -3.089 -9.140 -7.605
109 H8 G 10 H8 G 10 -0.122 -9.462 -5.139
110 H1 G 10 H1 G 10 1.713 -7.940 -11.100
111 1H2 G 10 1H2 G 10 -0.079 -7.728 -12.411
112 2H2 G 10 2H2 G 10 -1.699 -7.964 -11.790
113 1H2* G 10 H2' G 10 -1.811 -10.835 -5.634
114 2H2* G 10 H2'' G 10 -2.881 -11.209 -6.926
115 1H5* T 11 H5'' T 11 -5.688 -10.184 -8.549
116 2H5* T 11 H5' T 11 -6.772 -11.610 -8.507
117 H4* T 11 H4' T 11 -6.149 -11.253 -10.884
118 H3* T 11 H3' T 11 -5.551 -13.565 -9.483
119 1H2* T 11 H2' T 11 -3.403 -13.543 -10.099
120 2H2* T 11 H2'' T 11 -3.938 -13.861 -11.836
121 H1* T 11 H1' T 11 -3.764 -11.875 -12.451
122 H3 T 11 H3 T 11 0.830 -11.276 -12.720
123 1H5M T 11 1H7 T 11 0.169 -12.948 -7.858
124 2H5M T 11 2H7 T 11 -0.249 -11.245 -7.548
125 3H5M T 11 3H7 T 11 1.359 -11.667 -8.179
126 H6 T 11 H6 T 11 -2.232 -12.097 -9.076
127 1H5* T 12 H5'' T 12 -5.730 -13.458 -13.877
128 2H5* T 12 H5' T 12 -6.483 -14.870 -14.548
129 H4* T 12 H4' T 12 -4.542 -14.199 -15.918
130 H3* T 12 H3' T 12 -5.013 -16.749 -14.772
131 1H2* T 12 H2' T 12 -3.108 -16.835 -13.746
132 2H2* T 12 H2'' T 12 -2.258 -17.264 -15.176
133 H1* T 12 H1' T 12 -1.737 -15.017 -15.713
134 H3 T 12 H3 T 12 2.035 -14.741 -13.197
135 1H5M T 12 1H7 T 12 -1.546 -14.643 -9.511
136 2H5M T 12 2H7 T 12 -0.205 -15.794 -9.342
137 3H5M T 12 3H7 T 12 -1.797 -16.375 -9.871
138 H6 T 12 H6 T 12 -2.627 -15.502 -12.260
139 1H5* C 13 H5'' C 13 -2.331 -16.993 -18.809
140 2H5* C 13 H5' C 13 -2.785 -18.515 -19.590
141 H4* C 13 H4' C 13 -0.315 -18.189 -19.576
142 H3* C 13 H3' C 13 -1.700 -20.503 -18.974
143 H1* C 13 H1' C 13 1.606 -19.181 -17.220
144 1H4 C 13 1H4 C 13 1.959 -17.793 -11.106
145 2H4 C 13 2H4 C 13 0.249 -18.151 -10.855
146 H5 C 13 H5 C 13 -1.216 -18.815 -12.648
147 H6 C 13 H6 C 13 -1.460 -19.269 -14.922
148 1H2* C 13 H2' C 13 -1.259 -20.346 -16.647
149 2H2* C 13 H2'' C 13 0.096 -21.325 -17.087
150 1H5* A 14 H5'' A 14 4.096 -20.624 -18.825
151 2H5* A 14 H5' A 14 3.647 -22.238 -19.415
152 H4* A 14 H4' A 14 5.285 -22.552 -17.693
153 H3* A 14 H3' A 14 2.440 -23.157 -17.082
154 H1* A 14 H1' A 14 5.630 -22.477 -14.948
155 H8 A 14 H8 A 14 2.032 -21.401 -14.128
156 1H6 A 14 1H6 A 14 4.516 -18.701 -9.115
157 2H6 A 14 2H6 A 14 3.013 -19.088 -9.947
158 H2 A 14 H2 A 14 7.826 -20.361 -11.718
159 1H2* A 14 H2' A 14 2.815 -23.192 -14.847
160 2H2* A 14 H2'' A 14 4.233 -24.185 -14.973
161 1H5* G 15 H5'' G 15 5.912 -25.401 -15.791
162 2H5* G 15 H5' G 15 5.814 -27.166 -16.121
163 H4* G 15 H4' G 15 7.032 -26.801 -14.038
164 H3* G 15 H3' G 15 4.445 -28.151 -14.125
165 H1* G 15 H1' G 15 6.461 -26.091 -11.343
166 H8 G 15 H8 G 15 2.778 -25.077 -12.275
167 H1 G 15 H1 G 15 5.056 -22.503 -6.866
168 1H2 G 15 1H2 G 15 7.126 -23.211 -6.496
169 2H2 G 15 2H2 G 15 7.948 -24.316 -7.576
170 H3T G 15 H3T G 15 6.924 -28.762 -12.889
171 1H2* G 15 H2' G 15 3.836 -27.362 -11.805
172 2H2* G 15 H2'' G 15 5.325 -28.116 -11.302
173 1H5* C 16 H5'' C 16 6.507 -20.544 1.322
174 2H5* C 16 H5' C 16 7.639 -19.165 1.388
175 H4* C 16 H4' C 16 8.500 -21.039 -0.113
176 H3* C 16 H3' C 16 8.237 -18.240 -0.710
177 H1* C 16 H1' C 16 7.854 -21.628 -3.025
178 1H4 C 16 1H4 C 16 2.556 -20.988 -6.538
179 2H4 C 16 2H4 C 16 1.804 -19.951 -5.318
180 H5 C 16 H5 C 16 2.931 -19.276 -3.300
181 H6 C 16 H6 C 16 5.036 -19.456 -2.006
182 H5T C 16 H5T C 16 6.330 -18.131 -0.150
183 1H2* C 16 H2' C 16 7.282 -18.635 -2.937
184 2H2* C 16 H2'' C 16 8.801 -19.596 -3.429
185 1H5* T 17 H5'' T 17 11.372 -20.220 -3.563
186 2H5* T 17 H5' T 17 12.759 -19.100 -3.384
187 H4* T 17 H4' T 17 12.482 -19.747 -5.805
188 H3* T 17 H3' T 17 12.625 -17.128 -4.770
189 1H2* T 17 H2' T 17 10.539 -16.573 -5.449
190 2H2* T 17 H2'' T 17 11.331 -16.291 -7.048
191 H1* T 17 H1' T 17 10.722 -18.544 -7.856
192 H3 T 17 H3 T 17 6.438 -18.686 -9.169
193 1H5M T 17 1H7 T 17 4.881 -16.645 -5.296
194 2H5M T 17 2H7 T 17 6.309 -15.693 -4.833
195 3H5M T 17 3H7 T 17 6.036 -17.293 -4.111
196 H6 T 17 H6 T 17 8.541 -17.149 -5.130
197 1H5* G 18 H5'' G 18 12.426 -19.050 -10.113
198 2H5* G 18 H5' G 18 13.592 -17.766 -10.376
199 H4* G 18 H4' G 18 12.080 -17.810 -12.065
200 H3* G 18 H3' G 18 12.279 -15.530 -10.266
201 H1* G 18 H1' G 18 9.405 -16.596 -12.573
202 H8 G 18 H8 G 18 8.198 -15.939 -8.775
203 H1 G 18 H1 G 18 3.623 -17.525 -12.922
204 1H2 G 18 1H2 G 18 4.477 -17.974 -14.928
205 2H2 G 18 2H2 G 18 6.193 -17.884 -15.261
206 1H2* G 18 H2' G 18 10.173 -15.132 -10.039
207 2H2* G 18 H2'' G 18 10.163 -14.504 -11.670
208 1H5* A 19 H5'' A 19 11.874 -15.186 -15.168
209 2H5* A 19 H5' A 19 12.716 -13.637 -15.424
210 H4* A 19 H4' A 19 10.772 -14.046 -17.208
211 H3* A 19 H3' A 19 11.279 -11.674 -15.579
212 H1* A 19 H1' A 19 8.046 -13.282 -16.796
213 H8 A 19 H8 A 19 9.113 -13.176 -13.160
214 1H6 A 19 1H6 A 19 3.243 -14.307 -11.430
215 2H6 A 19 2H6 A 19 4.867 -14.031 -10.848
216 H2 A 19 H2 A 19 3.395 -14.121 -15.891
217 1H2* A 19 H2' A 19 9.290 -11.626 -14.702
218 2H2* A 19 H2'' A 19 8.707 -11.212 -16.354
219 1H5* A 20 H5'' A 20 8.840 -11.027 -19.338
220 2H5* A 20 H5' A 20 8.967 -9.388 -20.010
221 H4* A 20 H4' A 20 6.595 -10.256 -19.829
222 H3* A 20 H3' A 20 7.478 -7.628 -18.665
223 H1* A 20 H1' A 20 4.619 -10.063 -17.660
224 H8 A 20 H8 A 20 7.579 -9.130 -15.128
225 1H6 A 20 1H6 A 20 3.564 -10.722 -10.753
226 2H6 A 20 2H6 A 20 5.170 -10.156 -11.123
227 H2 A 20 H2 A 20 1.539 -11.211 -14.823
228 1H2* A 20 H2' A 20 6.369 -7.796 -16.926
229 2H2* A 20 H2'' A 20 4.862 -7.761 -17.829
230 1H5* C 21 H5'' C 21 3.212 -7.894 -20.111
231 2H5* C 21 H5' C 21 2.742 -6.318 -20.779
232 H4* C 21 H4' C 21 1.000 -7.164 -19.264
233 H3* C 21 H3' C 21 2.363 -4.617 -19.067
234 H1* C 21 H1' C 21 0.564 -6.953 -16.392
235 1H4 C 21 1H4 C 21 3.417 -7.503 -10.768
236 2H4 C 21 2H4 C 21 4.996 -7.080 -11.413
237 H5 C 21 H5 C 21 5.349 -6.550 -13.732
238 H6 C 21 H6 C 21 4.338 -6.304 -15.935
239 1H2* C 21 H2' C 21 2.681 -4.800 -16.671
240 2H2* C 21 H2'' C 21 0.849 -4.707 -16.647
241 1H5* A 22 H5'' A 22 -2.153 -5.537 -17.402
242 2H5* A 22 H5' A 22 -2.906 -3.995 -17.941
243 H4* A 22 H4' A 22 -3.973 -5.078 -15.860
244 H3* A 22 H3' A 22 -3.470 -2.372 -16.493
245 H1* A 22 H1' A 22 -3.252 -4.084 -13.170
246 H8 A 22 H8 A 22 -0.022 -2.922 -14.846
247 1H6 A 22 1H6 A 22 3.036 -4.027 -9.475
248 2H6 A 22 2H6 A 22 3.207 -3.476 -11.121
249 H2 A 22 H2 A 22 -1.328 -5.027 -8.951
250 1H2* A 22 H2' A 22 -1.858 -2.167 -15.022
251 2H2* A 22 H2'' A 22 -3.199 -1.783 -13.879
252 1H5* A 23 H5'' A 23 -6.106 -4.122 -12.367
253 2H5* A 23 H5' A 23 -7.244 -2.800 -12.660
254 H4* A 23 H4' A 23 -7.080 -3.218 -10.126
255 H3* A 23 H3' A 23 -6.816 -0.762 -11.530
256 H1* A 23 H1' A 23 -5.050 -1.956 -8.387
257 H8 A 23 H8 A 23 -3.212 -1.469 -11.715
258 1H6 A 23 1H6 A 23 2.173 -1.660 -8.563
259 2H6 A 23 2H6 A 23 1.456 -1.443 -10.139
260 H2 A 23 H2 A 23 -1.226 -2.342 -5.691
261 1H2* A 23 H2' A 23 -4.749 -0.339 -10.808
262 2H2* A 23 H2'' A 23 -5.469 -0.091 -9.152
263 1H5* T 24 H5'' T 24 -7.354 -0.827 -6.788
264 2H5* T 24 H5' T 24 -8.381 0.556 -6.404
265 H4* T 24 H4' T 24 -6.772 0.265 -4.745
266 H3* T 24 H3' T 24 -7.101 2.765 -6.134
267 1H2* T 24 H2' T 24 -4.717 3.050 -6.745
268 2H2* T 24 H2'' T 24 -4.508 3.234 -4.988
269 H1* T 24 H1' T 24 -3.586 1.147 -4.621
270 H3 T 24 H3 T 24 0.319 1.558 -6.684
271 1H5M T 24 1H7 T 24 -2.950 1.206 -10.670
272 2H5M T 24 2H7 T 24 -1.935 2.710 -10.690
273 3H5M T 24 3H7 T 24 -3.580 2.746 -9.938
274 H6 T 24 H6 T 24 -4.166 1.683 -8.293
275 1H5* C 25 H5'' C 25 -5.086 3.214 -1.961
276 2H5* C 25 H5' C 25 -5.931 4.634 -1.252
277 H4* C 25 H4' C 25 -3.544 4.462 -0.575
278 H3* C 25 H3' C 25 -4.677 6.810 -1.601
279 H1* C 25 H1' C 25 -1.052 5.562 -2.241
280 1H4 C 25 1H4 C 25 0.382 4.861 -8.408
281 2H4 C 25 2H4 C 25 -1.322 4.645 -8.834
282 H5 C 25 H5 C 25 -3.066 4.723 -7.221
283 H6 C 25 H6 C 25 -3.643 5.025 -4.830
284 1H2* C 25 H2' C 25 -3.482 6.766 -3.561
285 2H2* C 25 H2'' C 25 -2.222 7.590 -2.606
286 1H5* A 26 H5'' A 26 0.405 6.602 0.125
287 2H5* A 26 H5' A 26 -0.012 8.020 1.078
288 H4* A 26 H4' A 26 2.320 8.131 0.310
289 H3* A 26 H3' A 26 0.335 10.142 -0.216
290 H1* A 26 H1' A 26 3.474 9.254 -2.375
291 H8 A 26 H8 A 26 -0.113 8.891 -3.912
292 1H6 A 26 1H6 A 26 2.775 8.142 -9.339
293 2H6 A 26 2H6 A 26 1.226 8.278 -8.544
294 H2 A 26 H2 A 26 5.902 8.471 -6.142
295 1H2* A 26 H2' A 26 0.617 10.225 -2.387
296 2H2* A 26 H2'' A 26 2.105 11.144 -2.054
297 1H5* C 27 H5'' C 27 4.728 10.131 -0.353
298 2H5* C 27 H5' C 27 5.520 11.560 0.341
299 H4* C 27 H4' C 27 6.903 10.530 -1.456
300 H3* C 27 H3' C 27 5.906 13.289 -1.472
301 H1* C 27 H1' C 27 6.831 10.876 -4.434
302 1H4 C 27 1H4 C 27 2.302 11.891 -8.889
303 2H4 C 27 2H4 C 27 1.073 12.072 -7.637
304 H5 C 27 H5 C 27 1.574 12.004 -5.259
305 H6 C 27 H6 C 27 3.368 11.748 -3.611
306 1H2* C 27 H2' C 27 5.491 13.426 -3.613
307 2H2* C 27 H2'' C 27 7.200 13.073 -3.998
308 1H5* C 28 H5'' C 28 9.901 12.836 -3.775
309 2H5* C 28 H5' C 28 10.946 14.093 -3.080
310 H4* C 28 H4' C 28 11.165 14.013 -5.561
311 H3* C 28 H3' C 28 10.610 16.362 -3.959
312 H1* C 28 H1' C 28 9.544 15.286 -7.767
313 1H4 C 28 1H4 C 28 3.426 16.084 -9.239
314 2H4 C 28 2H4 C 28 2.931 15.825 -7.566
315 H5 C 28 H5 C 28 4.445 15.454 -5.816
316 H6 C 28 H6 C 28 6.763 15.225 -5.162
317 1H2* C 28 H2' C 28 8.662 16.856 -5.265
318 2H2* C 28 H2'' C 28 9.792 17.388 -6.537
319 1H5* C 29 H5'' C 29 12.085 16.867 -8.416
320 2H5* C 29 H5' C 29 13.486 17.937 -8.044
321 H4* C 29 H4' C 29 12.666 18.630 -10.212
322 H3* C 29 H3' C 29 12.231 20.337 -7.859
323 H1* C 29 H1' C 29 10.123 19.983 -11.167
324 1H4 C 29 1H4 C 29 3.975 19.456 -9.343
325 2H4 C 29 2H4 C 29 4.466 19.217 -7.668
326 H5 C 29 H5 C 29 6.757 19.203 -6.920
327 H6 C 29 H6 C 29 9.095 19.416 -7.617
328 1H2* C 29 H2' C 29 10.274 21.108 -8.408
329 2H2* C 29 H2'' C 29 10.907 21.787 -9.936
330 1H5* C 30 H5'' C 30 13.006 22.488 -11.840
331 2H5* C 30 H5' C 30 13.790 24.064 -11.578
332 H4* C 30 H4' C 30 11.860 24.249 -13.157
333 H3* C 30 H3' C 30 11.926 25.616 -10.507
334 H1* C 30 H1' C 30 8.919 24.470 -12.744
335 1H4 C 30 1H4 C 30 4.717 22.753 -8.267
336 2H4 C 30 2H4 C 30 5.972 22.600 -7.050
337 H5 C 30 H5 C 30 8.314 23.069 -7.502
338 H6 C 30 H6 C 30 9.913 23.778 -9.219
339 H3T C 30 H3T C 30 11.758 26.470 -13.227
340 1H2* C 30 H2' C 30 9.787 25.983 -10.380
341 2H2* C 30 H2'' C 30 9.636 26.541 -12.070
Start of MODEL 4
1 1H5* G 1 H5'' G 1 -8.445 22.957 -13.043
2 2H5* G 1 H5' G 1 -8.901 21.576 -13.968
3 H4* G 1 H4' G 1 -6.537 22.300 -14.631
4 H3* G 1 H3' G 1 -6.944 19.619 -13.339
5 H1* G 1 H1' G 1 -3.806 22.159 -13.399
6 H8 G 1 H8 G 1 -5.335 20.437 -10.167
7 H1 G 1 H1 G 1 0.544 22.916 -9.628
8 1H2 G 1 1H2 G 1 1.192 23.789 -11.562
9 2H2 G 1 2H2 G 1 0.179 23.763 -12.989
10 H5T G 1 H5T G 1 -7.640 21.354 -11.436
11 1H2* G 1 H2' G 1 -4.960 19.544 -12.438
12 2H2* G 1 H2'' G 1 -4.178 19.674 -13.974
13 1H5* G 2 H5'' G 2 -4.390 20.757 -16.520
14 2H5* G 2 H5' G 2 -4.014 19.686 -17.887
15 H4* G 2 H4' G 2 -2.094 21.158 -17.169
16 H3* G 2 H3' G 2 -2.051 18.315 -17.648
17 H1* G 2 H1' G 2 0.051 20.436 -15.139
18 H8 G 2 H8 G 2 -2.676 18.171 -13.448
19 H1 G 2 H1 G 2 2.613 19.192 -9.961
20 1H2 G 2 1H2 G 2 4.081 20.352 -11.147
21 2H2 G 2 2H2 G 2 3.761 20.873 -12.788
22 1H2* G 2 H2' G 2 -1.233 17.728 -15.681
23 2H2* G 2 H2'' G 2 0.342 18.323 -16.273
24 1H5* G 3 H5'' G 3 3.398 20.271 -18.000
25 2H5* G 3 H5' G 3 3.231 19.176 -19.370
26 H4* G 3 H4' G 3 5.212 18.618 -17.910
27 H3* G 3 H3' G 3 3.148 16.745 -18.703
28 H1* G 3 H1' G 3 5.287 16.775 -15.514
29 H8 G 3 H8 G 3 1.509 16.634 -15.108
30 H1 G 3 H1 G 3 4.732 16.444 -9.587
31 1H2 G 3 1H2 G 3 6.916 16.761 -9.996
32 2H2 G 3 2H2 G 3 7.534 17.015 -11.629
33 1H2* G 3 H2' G 3 2.628 16.088 -16.676
34 2H2* G 3 H2'' G 3 4.170 15.162 -16.737
35 1H5* G 4 H5'' G 4 7.362 15.409 -17.073
36 2H5* G 4 H5' G 4 7.921 14.139 -18.178
37 H4* G 4 H4' G 4 8.757 13.753 -15.898
38 H3* G 4 H3' G 4 7.118 11.870 -17.404
39 H1* G 4 H1' G 4 7.569 12.389 -13.599
40 H8 G 4 H8 G 4 3.845 12.794 -14.913
41 H1 G 4 H1 G 4 4.384 12.129 -8.582
42 1H2 G 4 1H2 G 4 6.496 11.898 -7.995
43 2H2 G 4 2H2 G 4 7.806 11.903 -9.158
44 1H2* G 4 H2' G 4 5.780 11.211 -15.630
45 2H2* G 4 H2'' G 4 7.209 10.581 -14.891
46 1H5* T 5 H5'' T 5 10.180 11.015 -14.167
47 2H5* T 5 H5' T 5 11.188 9.683 -14.782
48 H4* T 5 H4' T 5 11.160 9.852 -12.281
49 H3* T 5 H3' T 5 11.094 7.605 -13.861
50 1H2* T 5 H2' T 5 8.815 7.101 -13.403
51 2H2* T 5 H2'' T 5 9.560 6.333 -11.932
52 H1* T 5 H1' T 5 9.261 8.125 -10.584
53 H3 T 5 H3 T 5 4.854 8.055 -9.401
54 1H5M T 5 1H7 T 5 4.987 9.473 -14.505
55 2H5M T 5 2H7 T 5 3.506 8.741 -13.835
56 3H5M T 5 3H7 T 5 4.749 7.726 -14.627
57 H6 T 5 H6 T 5 7.231 8.518 -13.558
58 1H5* G 6 H5'' G 6 10.598 7.727 -8.909
59 2H5* G 6 H5' G 6 12.082 6.732 -8.640
60 H4* G 6 H4' G 6 10.600 6.320 -6.675
61 H3* G 6 H3' G 6 11.155 4.315 -8.567
62 H1* G 6 H1' G 6 8.167 4.893 -6.423
63 H8 G 6 H8 G 6 7.345 5.112 -10.233
64 H1 G 6 H1 G 6 2.095 5.082 -6.607
65 1H2 G 6 1H2 G 6 2.704 5.093 -4.417
66 2H2 G 6 2H2 G 6 4.385 5.108 -3.926
67 1H2* G 6 H2' G 6 8.982 4.074 -9.142
68 2H2* G 6 H2'' G 6 8.862 3.105 -7.631
69 1H5* A 7 H5'' A 7 9.556 3.835 -4.168
70 2H5* A 7 H5' A 7 10.715 2.560 -3.670
71 H4* A 7 H4' A 7 8.659 2.333 -2.223
72 H3* A 7 H3' A 7 9.514 0.307 -4.000
73 H1* A 7 H1' A 7 5.981 1.207 -2.950
74 H8 A 7 H8 A 7 7.295 1.744 -6.517
75 1H6 A 7 1H6 A 7 1.365 1.870 -8.355
76 2H6 A 7 2H6 A 7 3.028 1.936 -8.857
77 H2 A 7 H2 A 7 1.465 1.402 -3.855
78 1H2* A 7 H2' A 7 7.750 0.189 -5.092
79 2H2* A 7 H2'' A 7 6.965 -0.635 -3.705
80 1H5* T 8 H5'' T 8 6.520 -0.230 -0.816
81 2H5* T 8 H5' T 8 6.901 -1.622 0.146
82 H4* T 8 H4' T 8 4.463 -1.449 -0.030
83 H3* T 8 H3' T 8 5.974 -3.717 -0.709
84 1H2* T 8 H2' T 8 5.550 -3.584 -2.912
85 2H2* T 8 H2'' T 8 4.022 -4.403 -2.632
86 H1* T 8 H1' T 8 2.741 -2.635 -2.203
87 H3 T 8 H3 T 8 1.455 -2.293 -6.632
88 1H5M T 8 1H7 T 8 6.007 -2.741 -7.793
89 2H5M T 8 2H7 T 8 6.598 -3.091 -6.103
90 3H5M T 8 3H7 T 8 6.555 -1.397 -6.716
91 H6 T 8 H6 T 8 5.636 -2.333 -4.285
92 1H5* T 9 H5'' T 9 1.098 -3.409 -0.696
93 2H5* T 9 H5' T 9 0.746 -4.873 0.247
94 H4* T 9 H4' T 9 -1.030 -4.472 -1.457
95 H3* T 9 H3' T 9 0.348 -6.853 -0.966
96 1H2* T 9 H2' T 9 1.526 -6.926 -2.881
97 2H2* T 9 H2'' T 9 0.179 -7.503 -3.714
98 H1* T 9 H1' T 9 -0.805 -5.678 -4.277
99 H3 T 9 H3 T 9 1.236 -4.886 -8.304
100 1H5M T 9 1H7 T 9 5.190 -4.759 -4.872
101 2H5M T 9 2H7 T 9 5.447 -5.476 -6.470
102 3H5M T 9 3H7 T 9 5.060 -6.508 -5.079
103 H6 T 9 H6 T 9 2.754 -5.700 -3.833
104 1H5* G 10 H5'' G 10 -3.805 -7.204 -3.451
105 2H5* G 10 H5' G 10 -4.493 -8.722 -2.832
106 H4* G 10 H4' G 10 -5.070 -8.364 -5.254
107 H3* G 10 H3' G 10 -3.763 -10.722 -4.189
108 H1* G 10 H1' G 10 -3.371 -9.238 -7.611
109 H8 G 10 H8 G 10 -0.431 -9.209 -5.100
110 H1 G 10 H1 G 10 1.378 -7.871 -11.101
111 1H2 G 10 1H2 G 10 -0.403 -7.842 -12.443
112 2H2 G 10 2H2 G 10 -2.012 -8.155 -11.825
113 1H2* G 10 H2' G 10 -2.000 -10.680 -5.499
114 2H2* G 10 H2'' G 10 -3.020 -11.220 -6.770
115 1H5* T 11 H5'' T 11 -5.907 -10.546 -8.608
116 2H5* T 11 H5' T 11 -6.842 -12.061 -8.411
117 H4* T 11 H4' T 11 -6.232 -11.861 -10.816
118 H3* T 11 H3' T 11 -5.552 -13.991 -9.224
119 1H2* T 11 H2' T 11 -3.365 -13.887 -9.720
120 2H2* T 11 H2'' T 11 -3.775 -14.395 -11.432
121 H1* T 11 H1' T 11 -3.701 -12.475 -12.253
122 H3 T 11 H3 T 11 0.798 -11.479 -12.408
123 1H5M T 11 1H7 T 11 1.198 -11.512 -7.838
124 2H5M T 11 2H7 T 11 0.086 -12.842 -7.451
125 3H5M T 11 3H7 T 11 -0.458 -11.157 -7.293
126 H6 T 11 H6 T 11 -2.311 -12.290 -8.807
127 1H5* T 12 H5'' T 12 -5.483 -14.255 -13.698
128 2H5* T 12 H5' T 12 -6.037 -15.786 -14.278
129 H4* T 12 H4' T 12 -4.116 -15.018 -15.616
130 H3* T 12 H3' T 12 -4.338 -17.504 -14.265
131 1H2* T 12 H2' T 12 -2.472 -17.265 -13.185
132 2H2* T 12 H2'' T 12 -1.533 -17.726 -14.540
133 H1* T 12 H1' T 12 -1.261 -15.480 -15.281
134 H3 T 12 H3 T 12 2.431 -14.696 -12.737
135 1H5M T 12 1H7 T 12 0.176 -15.485 -8.816
136 2H5M T 12 2H7 T 12 -1.267 -16.380 -9.318
137 3H5M T 12 3H7 T 12 -1.316 -14.605 -9.166
138 H6 T 12 H6 T 12 -2.179 -15.747 -11.809
139 1H5* C 13 H5'' C 13 -1.317 -17.653 -18.176
140 2H5* C 13 H5' C 13 -1.563 -19.281 -18.819
141 H4* C 13 H4' C 13 0.859 -18.654 -18.729
142 H3* C 13 H3' C 13 -0.292 -21.065 -18.040
143 H1* C 13 H1' C 13 2.729 -19.269 -16.231
144 1H4 C 13 1H4 C 13 2.551 -17.458 -10.185
145 2H4 C 13 2H4 C 13 0.870 -17.968 -10.025
146 H5 C 13 H5 C 13 -0.386 -18.894 -11.845
147 H6 C 13 H6 C 13 -0.429 -19.529 -14.086
148 1H2* C 13 H2' C 13 0.013 -20.725 -15.684
149 2H2* C 13 H2'' C 13 1.477 -21.561 -16.002
150 1H5* A 14 H5'' A 14 5.243 -20.126 -17.929
151 2H5* A 14 H5' A 14 5.280 -21.800 -18.481
152 H4* A 14 H4' A 14 7.074 -21.510 -16.865
153 H3* A 14 H3' A 14 4.648 -23.061 -16.145
154 H1* A 14 H1' A 14 7.502 -21.317 -14.104
155 H8 A 14 H8 A 14 3.749 -21.353 -13.340
156 1H6 A 14 1H6 A 14 5.286 -18.250 -8.173
157 2H6 A 14 2H6 A 14 3.960 -18.984 -9.073
158 H2 A 14 H2 A 14 8.993 -18.938 -10.678
159 1H2* A 14 H2' A 14 5.078 -22.895 -13.908
160 2H2* A 14 H2'' A 14 6.734 -23.402 -14.113
161 1H5* G 15 H5'' G 15 8.691 -23.888 -15.135
162 2H5* G 15 H5' G 15 9.371 -25.518 -15.332
163 H4* G 15 H4' G 15 10.322 -24.353 -13.360
164 H3* G 15 H3' G 15 9.031 -26.935 -13.331
165 H1* G 15 H1' G 15 9.478 -24.056 -10.566
166 H8 G 15 H8 G 15 5.864 -25.071 -11.685
167 H1 G 15 H1 G 15 6.173 -22.251 -5.944
168 1H2 G 15 1H2 G 15 8.277 -21.820 -5.401
169 2H2 G 15 2H2 G 15 9.615 -22.228 -6.453
170 H3T G 15 H3T G 15 10.934 -27.357 -12.091
171 1H2* G 15 H2' G 15 7.912 -26.511 -11.093
172 2H2* G 15 H2'' G 15 9.566 -26.382 -10.510
173 1H5* C 16 H5'' C 16 6.447 -19.547 2.554
174 2H5* C 16 H5' C 16 7.010 -17.857 2.603
175 H4* C 16 H4' C 16 8.677 -19.329 1.388
176 H3* C 16 H3' C 16 7.423 -16.917 0.427
177 H1* C 16 H1' C 16 8.703 -20.339 -1.473
178 1H4 C 16 1H4 C 16 4.142 -21.952 -5.665
179 2H4 C 16 2H4 C 16 2.881 -21.387 -4.568
180 H5 C 16 H5 C 16 3.352 -20.326 -2.461
181 H6 C 16 H6 C 16 5.177 -19.569 -0.935
182 H5T C 16 H5T C 16 4.798 -18.137 2.007
183 1H2* C 16 H2' C 16 7.016 -17.824 -1.815
184 2H2* C 16 H2'' C 16 8.840 -18.133 -2.035
185 1H5* T 17 H5'' T 17 11.477 -17.955 -1.678
186 2H5* T 17 H5' T 17 12.400 -16.438 -1.510
187 H4* T 17 H4' T 17 12.769 -17.544 -3.808
188 H3* T 17 H3' T 17 12.261 -14.859 -3.201
189 1H2* T 17 H2' T 17 10.186 -14.855 -4.183
190 2H2* T 17 H2'' T 17 11.176 -14.596 -5.666
191 H1* T 17 H1' T 17 11.092 -17.008 -6.231
192 H3 T 17 H3 T 17 7.056 -17.890 -8.049
193 1H5M T 17 1H7 T 17 5.782 -16.647 -3.120
194 2H5M T 17 2H7 T 17 4.744 -16.082 -4.442
195 3H5M T 17 3H7 T 17 5.960 -14.997 -3.747
196 H6 T 17 H6 T 17 8.389 -15.975 -3.838
197 1H5* G 18 H5'' G 18 13.047 -17.484 -8.234
198 2H5* G 18 H5' G 18 14.051 -16.083 -8.528
199 H4* G 18 H4' G 18 12.760 -16.607 -10.355
200 H3* G 18 H3' G 18 12.602 -14.063 -9.005
201 H1* G 18 H1' G 18 10.031 -15.701 -11.267
202 H8 G 18 H8 G 18 8.395 -14.859 -7.659
203 H1 G 18 H1 G 18 4.360 -17.225 -11.941
204 1H2 G 18 1H2 G 18 5.407 -17.752 -13.841
205 2H2 G 18 2H2 G 18 7.129 -17.516 -14.057
206 1H2* G 18 H2' G 18 10.447 -13.984 -8.813
207 2H2* G 18 H2'' G 18 10.437 -13.453 -10.485
208 1H5* A 19 H5'' A 19 12.502 -14.321 -13.986
209 2H5* A 19 H5' A 19 13.154 -12.709 -14.387
210 H4* A 19 H4' A 19 11.346 -13.564 -16.173
211 H3* A 19 H3' A 19 11.494 -10.968 -14.833
212 H1* A 19 H1' A 19 8.549 -13.098 -15.937
213 H8 A 19 H8 A 19 9.425 -12.522 -12.307
214 1H6 A 19 1H6 A 19 3.566 -13.869 -10.705
215 2H6 A 19 2H6 A 19 5.144 -13.431 -10.094
216 H2 A 19 H2 A 19 3.924 -14.100 -15.154
217 1H2* A 19 H2' A 19 9.495 -11.077 -14.010
218 2H2* A 19 H2'' A 19 8.934 -10.929 -15.718
219 1H5* A 20 H5'' A 20 9.024 -11.015 -18.790
220 2H5* A 20 H5' A 20 9.045 -9.406 -19.542
221 H4* A 20 H4' A 20 6.750 -10.495 -19.440
222 H3* A 20 H3' A 20 7.344 -7.720 -18.480
223 H1* A 20 H1' A 20 4.645 -10.284 -17.361
224 H8 A 20 H8 A 20 7.425 -8.941 -14.812
225 1H6 A 20 1H6 A 20 3.355 -10.471 -10.450
226 2H6 A 20 2H6 A 20 4.933 -9.817 -10.805
227 H2 A 20 H2 A 20 1.545 -11.432 -14.533
228 1H2* A 20 H2' A 20 6.215 -7.843 -16.760
229 2H2* A 20 H2'' A 20 4.733 -7.990 -17.694
230 1H5* C 21 H5'' C 21 3.010 -8.339 -20.018
231 2H5* C 21 H5' C 21 2.578 -6.812 -20.813
232 H4* C 21 H4' C 21 0.766 -7.540 -19.320
233 H3* C 21 H3' C 21 2.132 -5.000 -19.216
234 H1* C 21 H1' C 21 0.264 -7.187 -16.448
235 1H4 C 21 1H4 C 21 3.051 -7.369 -10.761
236 2H4 C 21 2H4 C 21 4.622 -6.937 -11.416
237 H5 C 21 H5 C 21 4.988 -6.536 -13.712
238 H6 C 21 H6 C 21 4.032 -6.440 -15.952
239 1H2* C 21 H2' C 21 2.376 -5.031 -16.809
240 2H2* C 21 H2'' C 21 0.550 -4.973 -16.828
241 1H5* A 22 H5'' A 22 -2.560 -5.741 -17.627
242 2H5* A 22 H5' A 22 -3.185 -4.174 -18.240
243 H4* A 22 H4' A 22 -4.397 -5.115 -16.143
244 H3* A 22 H3' A 22 -3.735 -2.469 -16.843
245 H1* A 22 H1' A 22 -3.635 -4.080 -13.466
246 H8 A 22 H8 A 22 -0.334 -3.103 -15.130
247 1H6 A 22 1H6 A 22 2.607 -4.306 -9.705
248 2H6 A 22 2H6 A 22 2.855 -3.765 -11.354
249 H2 A 22 H2 A 22 -1.750 -5.120 -9.231
250 1H2* A 22 H2' A 22 -2.123 -2.306 -15.370
251 2H2* A 22 H2'' A 22 -3.444 -1.822 -14.257
252 1H5* A 23 H5'' A 23 -6.473 -3.889 -12.634
253 2H5* A 23 H5' A 23 -7.544 -2.518 -12.967
254 H4* A 23 H4' A 23 -7.346 -2.864 -10.408
255 H3* A 23 H3' A 23 -7.027 -0.469 -11.871
256 H1* A 23 H1' A 23 -5.196 -1.652 -8.756
257 H8 A 23 H8 A 23 -3.448 -1.341 -12.156
258 1H6 A 23 1H6 A 23 2.020 -1.947 -9.233
259 2H6 A 23 2H6 A 23 1.245 -1.685 -10.778
260 H2 A 23 H2 A 23 -1.308 -2.326 -6.205
261 1H2* A 23 H2' A 23 -4.907 -0.114 -11.235
262 2H2* A 23 H2'' A 23 -5.557 0.218 -9.576
263 1H5* T 24 H5'' T 24 -7.456 -0.529 -7.068
264 2H5* T 24 H5' T 24 -8.376 0.918 -6.654
265 H4* T 24 H4' T 24 -6.769 0.480 -5.024
266 H3* T 24 H3' T 24 -6.938 3.031 -6.339
267 1H2* T 24 H2' T 24 -4.515 3.170 -6.978
268 2H2* T 24 H2'' T 24 -4.292 3.251 -5.218
269 H1* T 24 H1' T 24 -3.527 1.110 -4.959
270 H3 T 24 H3 T 24 0.334 1.209 -7.084
271 1H5M T 24 1H7 T 24 -3.010 1.361 -11.039
272 2H5M T 24 2H7 T 24 -1.864 2.760 -10.996
273 3H5M T 24 3H7 T 24 -3.479 2.908 -10.212
274 H6 T 24 H6 T 24 -4.138 1.840 -8.604
275 1H5* C 25 H5'' C 25 -4.904 3.080 -2.150
276 2H5* C 25 H5' C 25 -5.565 4.537 -1.338
277 H4* C 25 H4' C 25 -3.210 3.983 -0.709
278 H3* C 25 H3' C 25 -4.101 6.531 -1.381
279 H1* C 25 H1' C 25 -0.645 5.068 -2.382
280 1H4 C 25 1H4 C 25 0.464 4.941 -8.665
281 2H4 C 25 2H4 C 25 -1.267 4.912 -9.020
282 H5 C 25 H5 C 25 -2.933 4.945 -7.329
283 H6 C 25 H6 C 25 -3.378 5.015 -4.883
284 1H2* C 25 H2' C 25 -3.043 6.578 -3.430
285 2H2* C 25 H2'' C 25 -1.667 7.207 -2.487
286 1H5* A 26 H5'' A 26 1.197 5.862 -0.166
287 2H5* A 26 H5' A 26 0.815 7.112 1.028
288 H4* A 26 H4' A 26 3.056 7.503 0.144
289 H3* A 26 H3' A 26 0.853 9.382 -0.236
290 H1* A 26 H1' A 26 4.070 8.845 -2.452
291 H8 A 26 H8 A 26 0.379 8.755 -3.813
292 1H6 A 26 1H6 A 26 2.927 8.417 -9.463
293 2H6 A 26 2H6 A 26 1.437 8.545 -8.558
294 H2 A 26 H2 A 26 6.239 8.284 -6.428
295 1H2* A 26 H2' A 26 1.317 9.968 -2.279
296 2H2* A 26 H2'' A 26 2.871 10.644 -1.740
297 1H5* C 27 H5'' C 27 5.066 9.870 0.053
298 2H5* C 27 H5' C 27 5.773 11.245 0.930
299 H4* C 27 H4' C 27 7.241 10.552 -0.958
300 H3* C 27 H3' C 27 5.912 13.207 -0.792
301 H1* C 27 H1' C 27 7.064 11.152 -3.953
302 1H4 C 27 1H4 C 27 2.335 12.498 -8.064
303 2H4 C 27 2H4 C 27 1.208 12.779 -6.734
304 H5 C 27 H5 C 27 1.839 12.646 -4.404
305 H6 C 27 H6 C 27 3.689 12.215 -2.857
306 1H2* C 27 H2' C 27 5.895 13.645 -2.939
307 2H2* C 27 H2'' C 27 7.598 13.122 -3.147
308 1H5* C 28 H5'' C 28 9.752 13.554 -3.149
309 2H5* C 28 H5' C 28 10.635 14.839 -2.293
310 H4* C 28 H4' C 28 10.690 15.237 -4.711
311 H3* C 28 H3' C 28 9.734 17.125 -2.742
312 H1* C 28 H1' C 28 8.768 16.462 -6.647
313 1H4 C 28 1H4 C 28 2.621 16.007 -8.146
314 2H4 C 28 2H4 C 28 2.181 15.529 -6.506
315 H5 C 28 H5 C 28 3.748 15.335 -4.758
316 H6 C 28 H6 C 28 6.093 15.530 -4.092
317 1H2* C 28 H2' C 28 7.618 17.294 -3.899
318 2H2* C 28 H2'' C 28 8.487 18.323 -5.061
319 1H5* C 29 H5'' C 29 10.762 18.751 -7.074
320 2H5* C 29 H5' C 29 11.684 20.232 -6.644
321 H4* C 29 H4' C 29 10.408 20.813 -8.603
322 H3* C 29 H3' C 29 9.508 21.868 -6.001
323 H1* C 29 H1' C 29 7.687 21.215 -9.391
324 1H4 C 29 1H4 C 29 2.005 18.517 -8.209
325 2H4 C 29 2H4 C 29 2.487 18.107 -6.561
326 H5 C 29 H5 C 29 4.650 18.657 -5.627
327 H6 C 29 H6 C 29 6.812 19.717 -6.079
328 1H2* C 29 H2' C 29 7.378 21.885 -6.485
329 2H2* C 29 H2'' C 29 7.638 22.980 -7.857
330 1H5* C 30 H5'' C 30 9.358 24.278 -9.907
331 2H5* C 30 H5' C 30 9.623 26.009 -9.605
332 H4* C 30 H4' C 30 7.885 25.642 -11.350
333 H3* C 30 H3' C 30 7.344 26.967 -8.747
334 H1* C 30 H1' C 30 4.977 25.032 -11.208
335 1H4 C 30 1H4 C 30 0.893 22.133 -7.245
336 2H4 C 30 2H4 C 30 2.087 22.084 -5.960
337 H5 C 30 H5 C 30 4.316 23.035 -6.174
338 H6 C 30 H6 C 30 5.843 24.219 -7.661
339 H3T C 30 H3T C 30 6.913 28.701 -10.184
340 1H2* C 30 H2' C 30 5.217 26.569 -8.692
341 2H2* C 30 H2'' C 30 4.931 27.172 -10.347
Start of MODEL 5
1 1H5* G 1 H5'' G 1 4.351 29.850 -11.478
2 2H5* G 1 H5' G 1 2.736 30.147 -11.996
3 H4* G 1 H4' G 1 3.786 28.337 -13.448
4 H3* G 1 H3' G 1 1.362 27.730 -11.959
5 H1* G 1 H1' G 1 4.465 25.359 -12.936
6 H8 G 1 H8 G 1 2.810 24.006 -10.004
7 H1 G 1 H1 G 1 9.136 24.162 -9.026
8 1H2 G 1 1H2 G 1 10.127 25.483 -10.498
9 2H2 G 1 2H2 G 1 9.240 26.345 -11.741
10 H5T G 1 H5T G 1 2.798 29.864 -9.782
11 1H2* G 1 H2' G 1 2.238 25.920 -10.916
12 2H2* G 1 H2'' G 1 1.950 25.053 -12.390
13 1H5* G 2 H5'' G 2 3.158 26.018 -15.550
14 2H5* G 2 H5' G 2 2.143 25.239 -16.781
15 H4* G 2 H4' G 2 4.421 24.223 -16.622
16 H3* G 2 H3' G 2 1.913 22.803 -16.470
17 H1* G 2 H1' G 2 5.354 21.961 -14.864
18 H8 G 2 H8 G 2 2.186 22.239 -12.533
19 H1 G 2 H1 G 2 7.585 20.280 -9.654
20 1H2 G 2 1H2 G 2 9.259 20.319 -11.089
21 2H2 G 2 2H2 G 2 9.064 20.823 -12.753
22 1H2* G 2 H2' G 2 2.355 21.649 -14.663
23 2H2* G 2 H2'' G 2 3.525 20.679 -15.602
24 1H5* G 3 H5'' G 3 6.202 20.679 -17.759
25 2H5* G 3 H5' G 3 5.616 19.809 -19.175
26 H4* G 3 H4' G 3 7.379 18.482 -17.996
27 H3* G 3 H3' G 3 4.720 17.523 -18.555
28 H1* G 3 H1' G 3 7.012 16.585 -15.619
29 H8 G 3 H8 G 3 3.583 18.037 -14.790
30 H1 G 3 H1 G 3 6.988 16.185 -9.689
31 1H2 G 3 1H2 G 3 9.011 15.554 -10.331
32 2H2 G 3 2H2 G 3 9.512 15.594 -12.021
33 1H2* G 3 H2' G 3 4.192 17.040 -16.473
34 2H2* G 3 H2'' G 3 5.237 15.595 -16.722
35 1H5* G 4 H5'' G 4 8.177 15.006 -17.325
36 2H5* G 4 H5' G 4 8.394 13.615 -18.404
37 H4* G 4 H4' G 4 9.218 13.126 -16.106
38 H3* G 4 H3' G 4 7.245 11.557 -17.548
39 H1* G 4 H1' G 4 7.862 12.084 -13.773
40 H8 G 4 H8 G 4 4.309 13.313 -15.013
41 H1 G 4 H1 G 4 4.729 12.145 -8.744
42 1H2 G 4 1H2 G 4 6.756 11.409 -8.218
43 2H2 G 4 2H2 G 4 8.012 11.204 -9.419
44 1H2* G 4 H2' G 4 5.830 11.250 -15.746
45 2H2* G 4 H2'' G 4 7.092 10.335 -14.995
46 1H5* T 5 H5'' T 5 10.239 10.533 -14.353
47 2H5* T 5 H5' T 5 11.186 9.158 -14.975
48 H4* T 5 H4' T 5 11.267 9.430 -12.452
49 H3* T 5 H3' T 5 11.111 7.118 -13.917
50 1H2* T 5 H2' T 5 8.793 6.745 -13.420
51 2H2* T 5 H2'' T 5 9.555 5.986 -11.948
52 H1* T 5 H1' T 5 9.318 7.831 -10.652
53 H3 T 5 H3 T 5 4.913 7.851 -9.445
54 1H5M T 5 1H7 T 5 3.557 8.349 -13.909
55 2H5M T 5 2H7 T 5 4.959 7.605 -14.742
56 3H5M T 5 3H7 T 5 4.925 9.350 -14.467
57 H6 T 5 H6 T 5 7.258 8.249 -13.621
58 1H5* G 6 H5'' G 6 10.687 7.464 -9.038
59 2H5* G 6 H5' G 6 12.117 6.430 -8.675
60 H4* G 6 H4' G 6 10.577 6.257 -6.699
61 H3* G 6 H3' G 6 11.134 4.081 -8.377
62 H1* G 6 H1' G 6 8.109 4.932 -6.385
63 H8 G 6 H8 G 6 7.368 4.829 -10.210
64 H1 G 6 H1 G 6 2.025 5.054 -6.725
65 1H2 G 6 1H2 G 6 2.577 5.245 -4.538
66 2H2 G 6 2H2 G 6 4.243 5.311 -4.001
67 1H2* G 6 H2' G 6 8.968 3.859 -9.005
68 2H2* G 6 H2'' G 6 8.804 3.018 -7.430
69 1H5* A 7 H5'' A 7 9.254 4.084 -3.941
70 2H5* A 7 H5' A 7 10.386 2.834 -3.340
71 H4* A 7 H4' A 7 8.284 2.696 -1.945
72 H3* A 7 H3' A 7 9.227 0.568 -3.503
73 H1* A 7 H1' A 7 5.640 1.479 -2.751
74 H8 A 7 H8 A 7 7.109 1.918 -6.255
75 1H6 A 7 1H6 A 7 1.249 2.017 -8.356
76 2H6 A 7 2H6 A 7 2.932 2.076 -8.813
77 H2 A 7 H2 A 7 1.180 1.636 -3.858
78 1H2* A 7 H2' A 7 7.559 0.434 -4.756
79 2H2* A 7 H2'' A 7 6.682 -0.377 -3.412
80 1H5* T 8 H5'' T 8 5.854 0.058 -0.543
81 2H5* T 8 H5' T 8 6.262 -1.297 0.469
82 H4* T 8 H4' T 8 3.852 -1.353 0.051
83 H3* T 8 H3' T 8 5.627 -3.454 -0.558
84 1H2* T 8 H2' T 8 5.282 -3.440 -2.759
85 2H2* T 8 H2'' T 8 3.742 -4.264 -2.574
86 H1* T 8 H1' T 8 2.389 -2.535 -2.282
87 H3 T 8 H3 T 8 1.508 -2.185 -6.753
88 1H5M T 8 1H7 T 8 6.611 -2.864 -5.801
89 2H5M T 8 2H7 T 8 6.597 -1.177 -6.413
90 3H5M T 8 3H7 T 8 6.172 -2.532 -7.523
91 H6 T 8 H6 T 8 5.469 -2.139 -4.074
92 1H5* T 9 H5'' T 9 0.947 -3.743 -0.558
93 2H5* T 9 H5' T 9 0.633 -5.261 0.307
94 H4* T 9 H4' T 9 -1.119 -4.863 -1.399
95 H3* T 9 H3' T 9 0.395 -7.199 -1.059
96 1H2* T 9 H2' T 9 1.538 -7.112 -2.998
97 2H2* T 9 H2'' T 9 0.205 -7.678 -3.856
98 H1* T 9 H1' T 9 -0.865 -5.870 -4.279
99 H3 T 9 H3 T 9 1.137 -4.808 -8.270
100 1H5M T 9 1H7 T 9 5.046 -4.575 -4.772
101 2H5M T 9 2H7 T 9 5.375 -5.155 -6.418
102 3H5M T 9 3H7 T 9 5.055 -6.310 -5.110
103 H6 T 9 H6 T 9 2.672 -5.699 -3.824
104 1H5* G 10 H5'' G 10 -3.797 -7.528 -3.488
105 2H5* G 10 H5' G 10 -4.424 -9.081 -2.887
106 H4* G 10 H4' G 10 -5.106 -8.692 -5.281
107 H3* G 10 H3' G 10 -3.681 -11.003 -4.281
108 H1* G 10 H1' G 10 -3.449 -9.473 -7.708
109 H8 G 10 H8 G 10 -0.438 -9.363 -5.286
110 H1 G 10 H1 G 10 1.201 -7.760 -11.281
111 1H2 G 10 1H2 G 10 -0.604 -7.781 -12.597
112 2H2 G 10 2H2 G 10 -2.186 -8.191 -11.970
113 1H2* G 10 H2' G 10 -1.965 -10.897 -5.652
114 2H2* G 10 H2'' G 10 -3.041 -11.451 -6.878
115 1H5* T 11 H5'' T 11 -5.882 -11.004 -8.492
116 2H5* T 11 H5' T 11 -6.759 -12.567 -8.417
117 H4* T 11 H4' T 11 -6.035 -12.265 -10.784
118 H3* T 11 H3' T 11 -5.161 -14.366 -9.165
119 1H2* T 11 H2' T 11 -3.042 -14.161 -9.819
120 2H2* T 11 H2'' T 11 -3.510 -14.550 -11.545
121 H1* T 11 H1' T 11 -3.525 -12.561 -12.192
122 H3 T 11 H3 T 11 0.906 -11.382 -12.306
123 1H5M T 11 1H7 T 11 1.342 -11.673 -7.728
124 2H5M T 11 2H7 T 11 0.298 -13.078 -7.429
125 3H5M T 11 3H7 T 11 -0.327 -11.434 -7.169
126 H6 T 11 H6 T 11 -2.129 -12.560 -8.771
127 1H5* T 12 H5'' T 12 -5.197 -14.598 -13.447
128 2H5* T 12 H5' T 12 -5.668 -16.126 -14.110
129 H4* T 12 H4' T 12 -3.735 -15.273 -15.359
130 H3* T 12 H3' T 12 -3.831 -17.758 -13.960
131 1H2* T 12 H2' T 12 -1.958 -17.433 -12.914
132 2H2* T 12 H2'' T 12 -1.000 -17.779 -14.283
133 H1* T 12 H1' T 12 -0.899 -15.500 -14.970
134 H3 T 12 H3 T 12 2.670 -14.458 -12.374
135 1H5M T 12 1H7 T 12 -0.835 -16.563 -9.040
136 2H5M T 12 2H7 T 12 -1.104 -14.809 -8.833
137 3H5M T 12 3H7 T 12 0.499 -15.518 -8.527
138 H6 T 12 H6 T 12 -1.829 -15.921 -11.515
139 1H5* C 13 H5'' C 13 -1.018 -17.769 -17.930
140 2H5* C 13 H5' C 13 -1.078 -19.409 -18.580
141 H4* C 13 H4' C 13 1.249 -18.473 -18.527
142 H3* C 13 H3' C 13 0.439 -21.035 -17.869
143 H1* C 13 H1' C 13 3.269 -18.874 -16.128
144 1H4 C 13 1H4 C 13 3.188 -17.366 -10.014
145 2H4 C 13 2H4 C 13 1.552 -17.994 -9.807
146 H5 C 13 H5 C 13 0.275 -18.959 -11.640
147 H6 C 13 H6 C 13 0.225 -19.520 -13.907
148 1H2* C 13 H2' C 13 0.796 -20.690 -15.504
149 2H2* C 13 H2'' C 13 2.329 -21.343 -15.923
150 1H5* A 14 H5'' A 14 6.019 -19.309 -17.717
151 2H5* A 14 H5' A 14 6.139 -20.960 -18.342
152 H4* A 14 H4' A 14 7.815 -20.712 -16.632
153 H3* A 14 H3' A 14 5.393 -22.325 -16.084
154 H1* A 14 H1' A 14 8.134 -20.636 -13.875
155 H8 A 14 H8 A 14 4.369 -20.736 -13.127
156 1H6 A 14 1H6 A 14 5.891 -17.965 -7.783
157 2H6 A 14 2H6 A 14 4.574 -18.657 -8.726
158 H2 A 14 H2 A 14 9.598 -18.434 -10.347
159 1H2* A 14 H2' A 14 5.681 -22.210 -13.847
160 2H2* A 14 H2'' A 14 7.342 -22.720 -13.923
161 1H5* G 15 H5'' G 15 9.394 -23.236 -14.770
162 2H5* G 15 H5' G 15 9.975 -24.902 -15.041
163 H4* G 15 H4' G 15 10.840 -24.013 -12.912
164 H3* G 15 H3' G 15 9.208 -26.394 -13.175
165 H1* G 15 H1' G 15 9.819 -23.756 -10.235
166 H8 G 15 H8 G 15 6.122 -24.318 -11.470
167 H1 G 15 H1 G 15 6.778 -21.551 -5.719
168 1H2 G 15 1H2 G 15 8.925 -21.364 -5.207
169 2H2 G 15 2H2 G 15 10.193 -21.919 -6.277
170 H3T G 15 H3T G 15 10.916 -27.226 -11.978
171 1H2* G 15 H2' G 15 8.004 -25.975 -10.991
172 2H2* G 15 H2'' G 15 9.606 -26.070 -10.287
173 1H5* C 16 H5'' C 16 8.153 -19.453 2.876
174 2H5* C 16 H5' C 16 8.796 -17.793 2.992
175 H4* C 16 H4' C 16 10.270 -19.222 1.519
176 H3* C 16 H3' C 16 9.022 -16.709 0.859
177 H1* C 16 H1' C 16 10.004 -20.038 -1.385
178 1H4 C 16 1H4 C 16 5.067 -21.224 -5.297
179 2H4 C 16 2H4 C 16 3.932 -20.639 -4.082
180 H5 C 16 H5 C 16 4.603 -19.713 -1.974
181 H6 C 16 H6 C 16 6.551 -19.135 -0.539
182 H5T C 16 H5T C 16 6.578 -17.806 2.615
183 1H2* C 16 H2' C 16 8.366 -17.464 -1.381
184 2H2* C 16 H2'' C 16 10.146 -17.783 -1.811
185 1H5* T 17 H5'' T 17 12.693 -17.582 -1.866
186 2H5* T 17 H5' T 17 13.641 -16.090 -1.657
187 H4* T 17 H4' T 17 13.675 -16.828 -4.078
188 H3* T 17 H3' T 17 12.978 -14.274 -3.097
189 1H2* T 17 H2' T 17 10.845 -14.370 -3.915
190 2H2* T 17 H2'' T 17 11.645 -13.890 -5.445
191 H1* T 17 H1' T 17 11.746 -16.241 -6.225
192 H3 T 17 H3 T 17 7.673 -17.383 -7.769
193 1H5M T 17 1H7 T 17 5.518 -16.141 -3.855
194 2H5M T 17 2H7 T 17 6.637 -14.925 -3.209
195 3H5M T 17 3H7 T 17 6.752 -16.614 -2.670
196 H6 T 17 H6 T 17 9.185 -15.661 -3.548
197 1H5* G 18 H5'' G 18 13.754 -16.457 -8.195
198 2H5* G 18 H5' G 18 14.561 -14.954 -8.555
199 H4* G 18 H4' G 18 13.301 -15.733 -10.324
200 H3* G 18 H3' G 18 12.915 -13.145 -9.115
201 H1* G 18 H1' G 18 10.475 -15.166 -11.209
202 H8 G 18 H8 G 18 8.914 -14.419 -7.555
203 H1 G 18 H1 G 18 4.825 -16.862 -11.764
204 1H2 G 18 1H2 G 18 5.847 -17.273 -13.729
205 2H2 G 18 2H2 G 18 7.545 -16.937 -13.986
206 1H2* G 18 H2' G 18 10.767 -13.284 -8.859
207 2H2* G 18 H2'' G 18 10.668 -12.840 -10.549
208 1H5* A 19 H5'' A 19 12.611 -13.713 -14.143
209 2H5* A 19 H5' A 19 13.160 -12.069 -14.556
210 H4* A 19 H4' A 19 11.397 -13.005 -16.325
211 H3* A 19 H3' A 19 11.337 -10.438 -14.923
212 H1* A 19 H1' A 19 8.580 -12.768 -16.112
213 H8 A 19 H8 A 19 9.431 -12.323 -12.481
214 1H6 A 19 1H6 A 19 3.616 -13.894 -10.926
215 2H6 A 19 2H6 A 19 5.187 -13.460 -10.291
216 H2 A 19 H2 A 19 3.955 -13.841 -15.379
217 1H2* A 19 H2' A 19 9.355 -10.731 -14.132
218 2H2* A 19 H2'' A 19 8.788 -10.584 -15.843
219 1H5* A 20 H5'' A 20 8.920 -10.623 -18.814
220 2H5* A 20 H5' A 20 8.904 -9.051 -19.642
221 H4* A 20 H4' A 20 6.627 -10.144 -19.512
222 H3* A 20 H3' A 20 7.201 -7.364 -18.572
223 H1* A 20 H1' A 20 4.523 -9.932 -17.419
224 H8 A 20 H8 A 20 7.325 -8.565 -14.895
225 1H6 A 20 1H6 A 20 3.408 -10.354 -10.496
226 2H6 A 20 2H6 A 20 4.959 -9.638 -10.859
227 H2 A 20 H2 A 20 1.540 -11.252 -14.562
228 1H2* A 20 H2' A 20 6.083 -7.484 -16.837
229 2H2* A 20 H2'' A 20 4.596 -7.636 -17.757
230 1H5* C 21 H5'' C 21 2.918 -7.902 -20.188
231 2H5* C 21 H5' C 21 2.466 -6.343 -20.911
232 H4* C 21 H4' C 21 0.684 -7.171 -19.420
233 H3* C 21 H3' C 21 2.005 -4.602 -19.277
234 H1* C 21 H1' C 21 0.178 -6.889 -16.539
235 1H4 C 21 1H4 C 21 2.992 -7.099 -10.887
236 2H4 C 21 2H4 C 21 4.549 -6.579 -11.517
237 H5 C 21 H5 C 21 4.894 -6.103 -13.819
238 H6 C 21 H6 C 21 3.914 -5.998 -16.054
239 1H2* C 21 H2' C 21 2.177 -4.636 -16.859
240 2H2* C 21 H2'' C 21 0.338 -4.685 -16.955
241 1H5* A 22 H5'' A 22 -2.717 -5.255 -17.850
242 2H5* A 22 H5' A 22 -3.351 -3.621 -18.228
243 H4* A 22 H4' A 22 -4.420 -4.810 -16.173
244 H3* A 22 H3' A 22 -3.828 -2.083 -16.668
245 H1* A 22 H1' A 22 -3.594 -4.019 -13.478
246 H8 A 22 H8 A 22 -0.368 -2.815 -15.132
247 1H6 A 22 1H6 A 22 2.639 -4.034 -9.735
248 2H6 A 22 2H6 A 22 2.867 -3.436 -11.370
249 H2 A 22 H2 A 22 -1.679 -5.050 -9.290
250 1H2* A 22 H2' A 22 -2.184 -2.030 -15.233
251 2H2* A 22 H2'' A 22 -3.468 -1.687 -14.023
252 1H5* A 23 H5'' A 23 -6.407 -4.040 -12.487
253 2H5* A 23 H5' A 23 -7.538 -2.725 -12.827
254 H4* A 23 H4' A 23 -7.465 -3.127 -10.282
255 H3* A 23 H3' A 23 -7.216 -0.693 -11.631
256 H1* A 23 H1' A 23 -5.412 -1.849 -8.520
257 H8 A 23 H8 A 23 -3.498 -1.454 -11.842
258 1H6 A 23 1H6 A 23 1.810 -1.920 -8.591
259 2H6 A 23 2H6 A 23 1.139 -1.658 -10.184
260 H2 A 23 H2 A 23 -1.658 -2.459 -5.796
261 1H2* A 23 H2' A 23 -5.097 -0.331 -11.014
262 2H2* A 23 H2'' A 23 -5.747 0.032 -9.358
263 1H5* T 24 H5'' T 24 -7.610 -0.606 -6.825
264 2H5* T 24 H5' T 24 -8.532 0.845 -6.437
265 H4* T 24 H4' T 24 -6.848 0.504 -4.880
266 H3* T 24 H3' T 24 -7.085 3.014 -6.281
267 1H2* T 24 H2' T 24 -4.687 3.140 -6.967
268 2H2* T 24 H2'' T 24 -4.419 3.300 -5.218
269 H1* T 24 H1' T 24 -3.637 1.173 -4.896
270 H3 T 24 H3 T 24 0.202 1.310 -7.103
271 1H5M T 24 1H7 T 24 -2.072 2.549 -11.053
272 2H5M T 24 2H7 T 24 -3.627 2.872 -10.192
273 3H5M T 24 3H7 T 24 -3.332 1.256 -10.925
274 H6 T 24 H6 T 24 -4.314 1.759 -8.563
275 1H5* C 25 H5'' C 25 -5.065 3.389 -2.110
276 2H5* C 25 H5' C 25 -5.736 4.896 -1.393
277 H4* C 25 H4' C 25 -3.353 4.468 -0.793
278 H3* C 25 H3' C 25 -4.299 6.914 -1.817
279 H1* C 25 H1' C 25 -0.814 5.298 -2.496
280 1H4 C 25 1H4 C 25 0.470 4.612 -8.698
281 2H4 C 25 2H4 C 25 -1.247 4.568 -9.108
282 H5 C 25 H5 C 25 -2.984 4.773 -7.454
283 H6 C 25 H6 C 25 -3.480 5.070 -5.046
284 1H2* C 25 H2' C 25 -3.108 6.799 -3.758
285 2H2* C 25 H2'' C 25 -1.754 7.451 -2.797
286 1H5* A 26 H5'' A 26 0.661 6.118 -0.062
287 2H5* A 26 H5' A 26 0.411 7.553 0.920
288 H4* A 26 H4' A 26 2.762 7.377 0.175
289 H3* A 26 H3' A 26 1.004 9.623 -0.415
290 H1* A 26 H1' A 26 4.086 8.320 -2.511
291 H8 A 26 H8 A 26 0.402 8.297 -3.878
292 1H6 A 26 1H6 A 26 3.011 8.102 -9.513
293 2H6 A 26 2H6 A 26 1.501 8.146 -8.630
294 H2 A 26 H2 A 26 6.287 8.153 -6.441
295 1H2* A 26 H2' A 26 1.602 9.958 -2.488
296 2H2* A 26 H2'' A 26 3.255 10.345 -1.930
297 1H5* C 27 H5'' C 27 5.170 9.387 -0.078
298 2H5* C 27 H5' C 27 6.203 10.620 0.679
299 H4* C 27 H4' C 27 7.335 9.440 -1.240
300 H3* C 27 H3' C 27 6.884 12.367 -1.049
301 H1* C 27 H1' C 27 7.194 10.065 -4.238
302 1H4 C 27 1H4 C 27 2.949 12.776 -8.190
303 2H4 C 27 2H4 C 27 1.896 13.177 -6.833
304 H5 C 27 H5 C 27 2.473 12.739 -4.532
305 H6 C 27 H6 C 27 4.186 11.826 -3.044
306 1H2* C 27 H2' C 27 6.867 12.800 -3.203
307 2H2* C 27 H2'' C 27 8.330 11.801 -3.495
308 1H5* C 28 H5'' C 28 10.562 11.226 -3.527
309 2H5* C 28 H5' C 28 11.909 12.047 -2.711
310 H4* C 28 H4' C 28 12.085 12.256 -5.214
311 H3* C 28 H3' C 28 12.289 14.396 -3.303
312 H1* C 28 H1' C 28 10.836 14.234 -7.134
313 1H4 C 28 1H4 C 28 5.083 16.782 -8.049
314 2H4 C 28 2H4 C 28 4.623 16.492 -6.374
315 H5 C 28 H5 C 28 6.065 15.530 -4.781
316 H6 C 28 H6 C 28 8.258 14.610 -4.346
317 1H2* C 28 H2' C 28 10.477 15.589 -4.385
318 2H2* C 28 H2'' C 28 11.681 15.980 -5.643
319 1H5* C 29 H5'' C 29 13.681 15.084 -7.909
320 2H5* C 29 H5' C 29 15.337 15.482 -7.338
321 H4* C 29 H4' C 29 15.057 16.738 -9.353
322 H3* C 29 H3' C 29 15.235 18.058 -6.811
323 H1* C 29 H1' C 29 13.051 19.263 -9.894
324 1H4 C 29 1H4 C 29 7.002 20.014 -7.911
325 2H4 C 29 2H4 C 29 7.395 19.338 -6.330
326 H5 C 29 H5 C 29 9.585 18.529 -5.718
327 H6 C 29 H6 C 29 11.860 18.191 -6.473
328 1H2* C 29 H2' C 29 13.528 19.439 -6.962
329 2H2* C 29 H2'' C 29 14.337 20.272 -8.311
330 1H5* C 30 H5'' C 30 16.695 21.263 -10.099
331 2H5* C 30 H5' C 30 17.921 22.168 -9.185
332 H4* C 30 H4' C 30 16.296 23.696 -10.287
333 H3* C 30 H3' C 30 16.660 23.523 -7.342
334 H1* C 30 H1' C 30 13.584 24.655 -9.504
335 1H4 C 30 1H4 C 30 8.537 22.002 -6.663
336 2H4 C 30 2H4 C 30 9.547 21.117 -5.534
337 H5 C 30 H5 C 30 11.972 21.239 -5.556
338 H6 C 30 H6 C 30 13.904 22.231 -6.662
339 H3T C 30 H3T C 30 16.653 25.750 -9.122
340 1H2* C 30 H2' C 30 14.685 24.233 -6.780
341 2H2* C 30 H2'' C 30 14.783 25.666 -7.830
Start of MODEL 6
1 1H5* G 1 H5'' G 1 -1.579 26.558 -10.740
2 2H5* G 1 H5' G 1 -3.147 26.202 -11.358
3 H4* G 1 H4' G 1 -1.362 25.225 -12.895
4 H3* G 1 H3' G 1 -3.357 23.465 -11.705
5 H1* G 1 H1' G 1 0.500 22.765 -12.630
6 H8 G 1 H8 G 1 -0.593 20.533 -9.912
7 H1 G 1 H1 G 1 5.154 23.025 -8.564
8 1H2 G 1 1H2 G 1 5.586 24.754 -9.876
9 2H2 G 1 2H2 G 1 4.463 25.316 -11.099
10 H5T G 1 H5T G 1 -2.877 25.733 -9.122
11 1H2* G 1 H2' G 1 -1.859 22.045 -10.818
12 2H2* G 1 H2'' G 1 -1.677 21.388 -12.410
13 1H5* G 2 H5'' G 2 -1.254 23.063 -15.597
14 2H5* G 2 H5' G 2 -1.828 21.961 -16.863
15 H4* G 2 H4' G 2 0.682 22.081 -16.702
16 H3* G 2 H3' G 2 -0.933 19.679 -16.704
17 H1* G 2 H1' G 2 2.493 20.357 -14.955
18 H8 G 2 H8 G 2 -0.625 19.191 -12.822
19 H1 G 2 H1 G 2 5.005 19.278 -9.733
20 1H2 G 2 1H2 G 2 6.585 20.047 -11.071
21 2H2 G 2 2H2 G 2 6.266 20.540 -12.721
22 1H2* G 2 H2' G 2 -0.038 18.711 -14.954
23 2H2* G 2 H2'' G 2 1.467 18.473 -15.890
24 1H5* G 3 H5'' G 3 3.914 19.123 -18.293
25 2H5* G 3 H5' G 3 3.504 18.047 -19.627
26 H4* G 3 H4' G 3 5.577 17.272 -18.450
27 H3* G 3 H3' G 3 3.220 15.642 -18.856
28 H1* G 3 H1' G 3 5.781 15.466 -15.998
29 H8 G 3 H8 G 3 2.115 16.032 -15.109
30 H1 G 3 H1 G 3 5.982 15.255 -10.067
31 1H2 G 3 1H2 G 3 8.092 15.136 -10.755
32 2H2 G 3 2H2 G 3 8.530 15.249 -12.461
33 1H2* G 3 H2' G 3 2.921 15.134 -16.746
34 2H2* G 3 H2'' G 3 4.321 14.006 -17.000
35 1H5* G 4 H5'' G 4 7.340 13.849 -17.899
36 2H5* G 4 H5' G 4 7.643 12.404 -18.881
37 H4* G 4 H4' G 4 8.669 12.260 -16.617
38 H3* G 4 H3' G 4 6.896 10.298 -17.838
39 H1* G 4 H1' G 4 7.536 11.166 -14.158
40 H8 G 4 H8 G 4 3.784 11.726 -15.291
41 H1 G 4 H1 G 4 4.616 11.122 -8.991
42 1H2 G 4 1H2 G 4 6.764 10.794 -8.511
43 2H2 G 4 2H2 G 4 7.995 10.727 -9.752
44 1H2* G 4 H2' G 4 5.552 9.975 -15.993
45 2H2* G 4 H2'' G 4 6.929 9.271 -15.225
46 1H5* T 5 H5'' T 5 10.115 9.731 -14.667
47 2H5* T 5 H5' T 5 11.044 8.293 -15.156
48 H4* T 5 H4' T 5 11.210 8.823 -12.721
49 H3* T 5 H3' T 5 10.976 6.368 -13.922
50 1H2* T 5 H2' T 5 8.703 6.064 -13.294
51 2H2* T 5 H2'' T 5 9.517 5.441 -11.783
52 H1* T 5 H1' T 5 9.401 7.415 -10.676
53 H3 T 5 H3 T 5 5.040 7.547 -9.181
54 1H5M T 5 1H7 T 5 3.421 7.506 -13.576
55 2H5M T 5 2H7 T 5 4.831 6.821 -14.444
56 3H5M T 5 3H7 T 5 4.659 8.578 -14.280
57 H6 T 5 H6 T 5 7.159 7.519 -13.511
58 1H5* G 6 H5'' G 6 10.739 7.274 -8.948
59 2H5* G 6 H5' G 6 12.148 6.203 -8.602
60 H4* G 6 H4' G 6 10.702 6.153 -6.572
61 H3* G 6 H3' G 6 11.116 3.890 -8.205
62 H1* G 6 H1' G 6 8.229 4.862 -6.086
63 H8 G 6 H8 G 6 7.334 4.696 -9.852
64 H1 G 6 H1 G 6 2.112 5.028 -6.216
65 1H2 G 6 1H2 G 6 2.750 5.237 -4.027
66 2H2 G 6 2H2 G 6 4.437 5.285 -3.560
67 1H2* G 6 H2' G 6 8.917 3.642 -8.687
68 2H2* G 6 H2'' G 6 8.861 2.932 -7.052
69 1H5* A 7 H5'' A 7 9.348 3.867 -3.749
70 2H5* A 7 H5' A 7 10.428 2.575 -3.134
71 H4* A 7 H4' A 7 8.263 2.449 -1.843
72 H3* A 7 H3' A 7 9.227 0.340 -3.437
73 H1* A 7 H1' A 7 5.661 1.289 -2.715
74 H8 A 7 H8 A 7 7.161 1.752 -6.195
75 1H6 A 7 1H6 A 7 1.317 1.947 -8.328
76 2H6 A 7 2H6 A 7 3.001 1.995 -8.794
77 H2 A 7 H2 A 7 1.218 1.516 -3.854
78 1H2* A 7 H2' A 7 7.581 0.256 -4.721
79 2H2* A 7 H2'' A 7 6.650 -0.563 -3.417
80 1H5* T 8 H5'' T 8 5.804 -0.154 -0.514
81 2H5* T 8 H5' T 8 6.231 -1.542 0.455
82 H4* T 8 H4' T 8 3.842 -1.602 0.141
83 H3* T 8 H3' T 8 5.559 -3.660 -0.743
84 1H2* T 8 H2' T 8 5.082 -3.418 -2.909
85 2H2* T 8 H2'' T 8 3.597 -4.296 -2.674
86 H1* T 8 H1' T 8 2.237 -2.616 -2.156
87 H3 T 8 H3 T 8 0.967 -1.942 -6.509
88 1H5M T 8 1H7 T 8 6.040 -0.917 -6.545
89 2H5M T 8 2H7 T 8 5.517 -2.213 -7.699
90 3H5M T 8 3H7 T 8 6.133 -2.652 -6.033
91 H6 T 8 H6 T 8 5.153 -2.063 -4.159
92 1H5* T 9 H5'' T 9 0.892 -3.639 -0.624
93 2H5* T 9 H5' T 9 0.442 -5.184 0.116
94 H4* T 9 H4' T 9 -1.265 -4.476 -1.553
95 H3* T 9 H3' T 9 -0.017 -6.973 -1.339
96 1H2* T 9 H2' T 9 1.170 -6.872 -3.260
97 2H2* T 9 H2'' T 9 -0.219 -7.251 -4.148
98 H1* T 9 H1' T 9 -1.083 -5.345 -4.486
99 H3 T 9 H3 T 9 1.066 -4.365 -8.411
100 1H5M T 9 1H7 T 9 4.900 -4.663 -4.800
101 2H5M T 9 2H7 T 9 5.233 -5.080 -6.490
102 3H5M T 9 3H7 T 9 4.791 -6.347 -5.326
103 H6 T 9 H6 T 9 2.424 -5.538 -3.978
104 1H5* G 10 H5'' G 10 -4.301 -7.311 -3.764
105 2H5* G 10 H5' G 10 -4.877 -8.866 -3.111
106 H4* G 10 H4' G 10 -5.466 -8.653 -5.531
107 H3* G 10 H3' G 10 -3.865 -10.793 -4.412
108 H1* G 10 H1' G 10 -3.674 -9.346 -7.879
109 H8 G 10 H8 G 10 -0.748 -9.017 -5.396
110 H1 G 10 H1 G 10 0.861 -7.279 -11.344
111 1H2 G 10 1H2 G 10 -0.926 -7.394 -12.679
112 2H2 G 10 2H2 G 10 -2.493 -7.899 -12.075
113 1H2* G 10 H2' G 10 -2.148 -10.609 -5.758
114 2H2* G 10 H2'' G 10 -3.136 -11.243 -7.015
115 1H5* T 11 H5'' T 11 -5.841 -11.144 -8.728
116 2H5* T 11 H5' T 11 -6.638 -12.743 -8.558
117 H4* T 11 H4' T 11 -5.855 -12.598 -10.915
118 H3* T 11 H3' T 11 -4.904 -14.494 -9.124
119 1H2* T 11 H2' T 11 -2.770 -14.160 -9.654
120 2H2* T 11 H2'' T 11 -3.103 -14.719 -11.372
121 H1* T 11 H1' T 11 -3.250 -12.828 -12.196
122 H3 T 11 H3 T 11 1.050 -11.140 -12.206
123 1H5M T 11 1H7 T 11 -0.403 -11.091 -7.121
124 2H5M T 11 2H7 T 11 1.306 -11.182 -7.602
125 3H5M T 11 3H7 T 11 0.391 -12.670 -7.281
126 H6 T 11 H6 T 11 -2.006 -12.448 -8.715
127 1H5* T 12 H5'' T 12 -4.798 -14.944 -13.451
128 2H5* T 12 H5' T 12 -5.165 -16.546 -14.000
129 H4* T 12 H4' T 12 -3.380 -15.593 -15.392
130 H3* T 12 H3' T 12 -3.196 -18.009 -13.886
131 1H2* T 12 H2' T 12 -1.319 -17.486 -12.929
132 2H2* T 12 H2'' T 12 -0.397 -17.817 -14.320
133 H1* T 12 H1' T 12 -0.494 -15.580 -15.096
134 H3 T 12 H3 T 12 3.015 -14.088 -12.609
135 1H5M T 12 1H7 T 12 1.012 -15.186 -8.688
136 2H5M T 12 2H7 T 12 -0.247 -16.356 -9.134
137 3H5M T 12 3H7 T 12 -0.650 -14.615 -8.998
138 H6 T 12 H6 T 12 -1.322 -15.926 -11.609
139 1H5* C 13 H5'' C 13 -0.660 -17.913 -17.930
140 2H5* C 13 H5' C 13 -0.555 -19.533 -18.613
141 H4* C 13 H4' C 13 1.668 -18.372 -18.588
142 H3* C 13 H3' C 13 1.125 -21.009 -17.932
143 H1* C 13 H1' C 13 3.799 -18.605 -16.236
144 1H4 C 13 1H4 C 13 3.721 -17.232 -10.097
145 2H4 C 13 2H4 C 13 2.143 -17.998 -9.883
146 H5 C 13 H5 C 13 0.923 -19.018 -11.716
147 H6 C 13 H6 C 13 0.875 -19.526 -13.972
148 1H2* C 13 H2' C 13 1.520 -20.635 -15.576
149 2H2* C 13 H2'' C 13 3.092 -21.133 -16.058
150 1H5* A 14 H5'' A 14 6.448 -18.753 -18.017
151 2H5* A 14 H5' A 14 6.685 -20.329 -18.781
152 H4* A 14 H4' A 14 8.509 -20.017 -17.221
153 H3* A 14 H3' A 14 6.323 -21.920 -16.574
154 H1* A 14 H1' A 14 9.065 -20.088 -14.473
155 H8 A 14 H8 A 14 5.383 -20.684 -13.579
156 1H6 A 14 1H6 A 14 6.687 -17.994 -8.137
157 2H6 A 14 2H6 A 14 5.453 -18.809 -9.090
158 H2 A 14 H2 A 14 10.351 -17.845 -10.822
159 1H2* A 14 H2' A 14 6.860 -21.954 -14.361
160 2H2* A 14 H2'' A 14 8.550 -22.219 -14.681
161 1H5* G 15 H5'' G 15 10.484 -22.443 -15.768
162 2H5* G 15 H5' G 15 11.221 -23.982 -16.316
163 H4* G 15 H4' G 15 12.270 -23.174 -14.228
164 H3* G 15 H3' G 15 11.027 -25.750 -14.576
165 H1* G 15 H1' G 15 11.525 -23.377 -11.392
166 H8 G 15 H8 G 15 7.850 -24.294 -12.463
167 H1 G 15 H1 G 15 8.465 -21.993 -6.515
168 1H2 G 15 1H2 G 15 10.599 -21.568 -6.071
169 2H2 G 15 2H2 G 15 11.871 -21.852 -7.240
170 H3T G 15 H3T G 15 12.950 -26.367 -13.548
171 1H2* G 15 H2' G 15 9.939 -25.722 -12.292
172 2H2* G 15 H2'' G 15 11.594 -25.671 -11.715
173 1H5* C 16 H5'' C 16 9.251 -20.539 2.181
174 2H5* C 16 H5' C 16 9.709 -18.838 2.469
175 H4* C 16 H4' C 16 11.355 -19.966 0.905
176 H3* C 16 H3' C 16 9.901 -17.531 0.477
177 H1* C 16 H1' C 16 11.166 -20.482 -2.084
178 1H4 C 16 1H4 C 16 6.306 -21.853 -6.034
179 2H4 C 16 2H4 C 16 5.131 -21.517 -4.759
180 H5 C 16 H5 C 16 5.744 -20.721 -2.575
181 H6 C 16 H6 C 16 7.646 -20.069 -1.123
182 H5T C 16 H5T C 16 7.479 -19.169 1.999
183 1H2* C 16 H2' C 16 9.227 -18.148 -1.798
184 2H2* C 16 H2'' C 16 11.026 -18.213 -2.309
185 1H5* T 17 H5'' T 17 13.588 -17.816 -2.468
186 2H5* T 17 H5' T 17 14.368 -16.259 -2.086
187 H4* T 17 H4' T 17 14.392 -16.696 -4.592
188 H3* T 17 H3' T 17 13.522 -14.367 -3.230
189 1H2* T 17 H2' T 17 11.387 -14.504 -4.008
190 2H2* T 17 H2'' T 17 12.096 -13.776 -5.483
191 H1* T 17 H1' T 17 12.329 -15.976 -6.568
192 H3 T 17 H3 T 17 8.315 -17.250 -8.112
193 1H5M T 17 1H7 T 17 7.278 -15.493 -3.235
194 2H5M T 17 2H7 T 17 7.585 -17.213 -2.911
195 3H5M T 17 3H7 T 17 6.243 -16.735 -3.971
196 H6 T 17 H6 T 17 9.864 -15.959 -3.752
197 1H5* G 18 H5'' G 18 14.335 -15.802 -8.490
198 2H5* G 18 H5' G 18 14.998 -14.207 -8.719
199 H4* G 18 H4' G 18 13.746 -14.929 -10.544
200 H3* G 18 H3' G 18 13.226 -12.497 -9.064
201 H1* G 18 H1' G 18 10.867 -14.481 -11.302
202 H8 G 18 H8 G 18 9.363 -14.091 -7.579
203 H1 G 18 H1 G 18 5.376 -16.698 -11.819
204 1H2 G 18 1H2 G 18 6.372 -16.934 -13.805
205 2H2 G 18 2H2 G 18 8.028 -16.447 -14.093
206 1H2* G 18 H2' G 18 11.092 -12.767 -8.817
207 2H2* G 18 H2'' G 18 10.944 -12.225 -10.474
208 1H5* A 19 H5'' A 19 13.010 -12.766 -13.974
209 2H5* A 19 H5' A 19 13.494 -11.111 -14.416
210 H4* A 19 H4' A 19 11.760 -12.160 -16.158
211 H3* A 19 H3' A 19 11.630 -9.563 -14.809
212 H1* A 19 H1' A 19 8.936 -12.016 -15.898
213 H8 A 19 H8 A 19 9.812 -11.403 -12.285
214 1H6 A 19 1H6 A 19 4.141 -13.284 -10.592
215 2H6 A 19 2H6 A 19 5.690 -12.725 -10.006
216 H2 A 19 H2 A 19 4.403 -13.380 -15.054
217 1H2* A 19 H2' A 19 9.662 -9.899 -13.976
218 2H2* A 19 H2'' A 19 9.083 -9.807 -15.693
219 1H5* A 20 H5'' A 20 9.110 -10.034 -18.665
220 2H5* A 20 H5' A 20 9.026 -8.476 -19.516
221 H4* A 20 H4' A 20 6.809 -9.677 -19.402
222 H3* A 20 H3' A 20 7.244 -6.873 -18.494
223 H1* A 20 H1' A 20 4.667 -9.539 -17.339
224 H8 A 20 H8 A 20 7.359 -8.047 -14.783
225 1H6 A 20 1H6 A 20 3.464 -9.981 -10.425
226 2H6 A 20 2H6 A 20 4.985 -9.197 -10.774
227 H2 A 20 H2 A 20 1.700 -10.992 -14.513
228 1H2* A 20 H2' A 20 6.146 -7.031 -16.751
229 2H2* A 20 H2'' A 20 4.660 -7.246 -17.673
230 1H5* C 21 H5'' C 21 2.965 -7.726 -20.076
231 2H5* C 21 H5' C 21 2.447 -6.218 -20.857
232 H4* C 21 H4' C 21 0.674 -7.109 -19.391
233 H3* C 21 H3' C 21 1.788 -4.463 -19.350
234 H1* C 21 H1' C 21 0.144 -6.691 -16.503
235 1H4 C 21 1H4 C 21 2.999 -6.766 -10.856
236 2H4 C 21 2H4 C 21 4.533 -6.213 -11.525
237 H5 C 21 H5 C 21 4.840 -5.755 -13.802
238 H6 C 21 H6 C 21 3.866 -5.694 -16.029
239 1H2* C 21 H2' C 21 2.152 -4.442 -16.964
240 2H2* C 21 H2'' C 21 0.328 -4.449 -16.914
241 1H5* A 22 H5'' A 22 -2.909 -5.430 -17.615
242 2H5* A 22 H5' A 22 -3.539 -3.860 -18.216
243 H4* A 22 H4' A 22 -4.710 -4.776 -16.100
244 H3* A 22 H3' A 22 -4.029 -2.135 -16.841
245 H1* A 22 H1' A 22 -3.954 -3.707 -13.453
246 H8 A 22 H8 A 22 -0.672 -2.753 -15.114
247 1H6 A 22 1H6 A 22 2.272 -3.925 -9.674
248 2H6 A 22 2H6 A 22 2.513 -3.390 -11.323
249 H2 A 22 H2 A 22 -2.111 -4.756 -9.226
250 1H2* A 22 H2' A 22 -2.433 -1.939 -15.358
251 2H2* A 22 H2'' A 22 -3.768 -1.480 -14.250
252 1H5* A 23 H5'' A 23 -6.796 -3.479 -12.699
253 2H5* A 23 H5' A 23 -7.865 -2.097 -12.991
254 H4* A 23 H4' A 23 -7.632 -2.531 -10.434
255 H3* A 23 H3' A 23 -7.362 -0.084 -11.824
256 H1* A 23 H1' A 23 -5.478 -1.334 -8.785
257 H8 A 23 H8 A 23 -3.785 -0.877 -12.196
258 1H6 A 23 1H6 A 23 1.741 -1.419 -9.376
259 2H6 A 23 2H6 A 23 0.935 -1.124 -10.899
260 H2 A 23 H2 A 23 -1.510 -2.016 -6.316
261 1H2* A 23 H2' A 23 -5.245 0.274 -11.223
262 2H2* A 23 H2'' A 23 -5.861 0.544 -9.538
263 1H5* T 24 H5'' T 24 -7.693 -0.264 -6.991
264 2H5* T 24 H5' T 24 -8.586 1.185 -6.522
265 H4* T 24 H4' T 24 -6.961 0.690 -4.931
266 H3* T 24 H3' T 24 -7.074 3.291 -6.171
267 1H2* T 24 H2' T 24 -4.684 3.346 -6.858
268 2H2* T 24 H2'' T 24 -4.425 3.426 -5.099
269 H1* T 24 H1' T 24 -3.708 1.266 -4.847
270 H3 T 24 H3 T 24 0.167 1.385 -7.029
271 1H5M T 24 1H7 T 24 -3.619 3.145 -10.081
272 2H5M T 24 2H7 T 24 -3.311 1.546 -10.875
273 3H5M T 24 3H7 T 24 -2.039 2.844 -10.928
274 H6 T 24 H6 T 24 -4.331 2.006 -8.483
275 1H5* C 25 H5'' C 25 -4.881 3.338 -1.981
276 2H5* C 25 H5' C 25 -5.527 4.839 -1.230
277 H4* C 25 H4' C 25 -3.158 4.353 -0.631
278 H3* C 25 H3' C 25 -4.051 6.844 -1.573
279 H1* C 25 H1' C 25 -0.601 5.200 -2.367
280 1H4 C 25 1H4 C 25 0.449 4.678 -8.632
281 2H4 C 25 2H4 C 25 -1.285 4.690 -8.977
282 H5 C 25 H5 C 25 -2.912 4.880 -7.287
283 H6 C 25 H6 C 25 -3.362 5.111 -4.851
284 1H2* C 25 H2' C 25 -2.888 6.775 -3.533
285 2H2* C 25 H2'' C 25 -1.512 7.362 -2.557
286 1H5* A 26 H5'' A 26 0.859 5.991 0.062
287 2H5* A 26 H5' A 26 0.620 7.348 1.132
288 H4* A 26 H4' A 26 2.967 7.155 0.404
289 H3* A 26 H3' A 26 1.400 9.494 0.245
290 H1* A 26 H1' A 26 4.211 8.464 -2.287
291 H8 A 26 H8 A 26 0.517 8.585 -3.586
292 1H6 A 26 1H6 A 26 2.976 7.982 -9.246
293 2H6 A 26 2H6 A 26 1.499 8.200 -8.337
294 H2 A 26 H2 A 26 6.309 7.782 -6.248
295 1H2* A 26 H2' A 26 1.475 9.714 -1.992
296 2H2* A 26 H2'' A 26 3.074 10.452 -1.712
297 1H5* C 27 H5'' C 27 5.839 8.780 -0.359
298 2H5* C 27 H5' C 27 6.804 10.064 0.393
299 H4* C 27 H4' C 27 7.980 9.072 -1.557
300 H3* C 27 H3' C 27 7.314 11.888 -1.235
301 H1* C 27 H1' C 27 7.743 9.777 -4.522
302 1H4 C 27 1H4 C 27 2.910 11.405 -8.429
303 2H4 C 27 2H4 C 27 1.824 11.618 -7.054
304 H5 C 27 H5 C 27 2.531 11.368 -4.761
305 H6 C 27 H6 C 27 4.441 10.857 -3.295
306 1H2* C 27 H2' C 27 6.613 12.265 -3.277
307 2H2* C 27 H2'' C 27 8.251 11.921 -3.897
308 1H5* C 28 H5'' C 28 10.904 11.379 -4.258
309 2H5* C 28 H5' C 28 12.100 12.428 -3.466
310 H4* C 28 H4' C 28 12.093 12.841 -5.921
311 H3* C 28 H3' C 28 11.815 14.822 -3.854
312 H1* C 28 H1' C 28 10.316 14.588 -7.644
313 1H4 C 28 1H4 C 28 4.049 15.448 -8.353
314 2H4 C 28 2H4 C 28 3.729 15.015 -6.673
315 H5 C 28 H5 C 28 5.430 14.440 -5.136
316 H6 C 28 H6 C 28 7.792 14.130 -4.782
317 1H2* C 28 H2' C 28 9.679 15.524 -4.773
318 2H2* C 28 H2'' C 28 10.651 16.364 -6.008
319 1H5* C 29 H5'' C 29 12.626 16.550 -8.232
320 2H5* C 29 H5' C 29 14.107 17.446 -7.717
321 H4* C 29 H4' C 29 13.156 18.896 -9.340
322 H3* C 29 H3' C 29 12.619 19.631 -6.523
323 H1* C 29 H1' C 29 10.467 20.291 -9.767
324 1H4 C 29 1H4 C 29 4.524 18.601 -8.053
325 2H4 C 29 2H4 C 29 5.094 18.060 -6.472
326 H5 C 29 H5 C 29 7.405 18.135 -5.779
327 H6 C 29 H6 C 29 9.673 18.742 -6.447
328 1H2* C 29 H2' C 29 10.693 20.596 -6.833
329 2H2* C 29 H2'' C 29 11.327 21.634 -8.131
330 1H5* C 30 H5'' C 30 13.283 23.434 -9.133
331 2H5* C 30 H5' C 30 14.005 24.661 -8.069
332 H4* C 30 H4' C 30 12.035 25.550 -9.323
333 H3* C 30 H3' C 30 12.256 25.457 -6.384
334 H1* C 30 H1' C 30 9.063 25.375 -8.696
335 1H4 C 30 1H4 C 30 5.361 20.772 -6.300
336 2H4 C 30 2H4 C 30 6.598 20.265 -5.159
337 H5 C 30 H5 C 30 8.786 21.327 -5.028
338 H6 C 30 H6 C 30 10.209 23.073 -5.965
339 H3T C 30 H3T C 30 11.572 27.443 -8.321
340 1H2* C 30 H2' C 30 10.139 25.221 -5.927
341 2H2* C 30 H2'' C 30 9.684 26.650 -6.885
Start of MODEL 7
1 1H5* G 1 H5'' G 1 -8.152 24.485 -10.862
2 2H5* G 1 H5' G 1 -8.873 23.305 -11.894
3 H4* G 1 H4' G 1 -6.586 23.954 -12.810
4 H3* G 1 H3' G 1 -7.074 21.144 -11.952
5 H1* G 1 H1' G 1 -3.715 23.369 -12.088
6 H8 G 1 H8 G 1 -4.902 21.369 -8.867
7 H1 G 1 H1 G 1 1.103 23.580 -8.836
8 1H2 G 1 1H2 G 1 1.537 24.666 -10.729
9 2H2 G 1 2H2 G 1 0.341 24.845 -11.999
10 H5T G 1 H5T G 1 -7.503 22.863 -9.450
11 1H2* G 1 H2' G 1 -5.055 20.822 -11.156
12 2H2* G 1 H2'' G 1 -4.382 20.983 -12.743
13 1H5* G 2 H5'' G 2 -4.475 22.361 -15.203
14 2H5* G 2 H5' G 2 -4.359 21.344 -16.654
15 H4* G 2 H4' G 2 -2.164 22.344 -15.936
16 H3* G 2 H3' G 2 -2.714 19.533 -16.479
17 H1* G 2 H1' G 2 -0.113 21.143 -14.100
18 H8 G 2 H8 G 2 -3.071 19.213 -12.381
19 H1 G 2 H1 G 2 2.406 19.434 -9.061
20 1H2 G 2 1H2 G 2 3.955 20.463 -10.244
21 2H2 G 2 2H2 G 2 3.660 21.101 -11.847
22 1H2* G 2 H2' G 2 -1.824 18.725 -14.641
23 2H2* G 2 H2'' G 2 -0.210 19.142 -15.298
24 1H5* G 3 H5'' G 3 2.424 20.677 -17.215
25 2H5* G 3 H5' G 3 2.345 19.733 -18.702
26 H4* G 3 H4' G 3 4.420 19.218 -17.404
27 H3* G 3 H3' G 3 2.530 17.258 -18.319
28 H1* G 3 H1' G 3 4.734 17.143 -15.220
29 H8 G 3 H8 G 3 0.968 16.933 -14.586
30 H1 G 3 H1 G 3 4.597 15.963 -9.400
31 1H2 G 3 1H2 G 3 6.734 16.290 -9.918
32 2H2 G 3 2H2 G 3 7.245 16.748 -11.545
33 1H2* G 3 H2' G 3 2.021 16.482 -16.296
34 2H2* G 3 H2'' G 3 3.571 15.572 -16.479
35 1H5* G 4 H5'' G 4 6.882 16.021 -16.838
36 2H5* G 4 H5' G 4 7.440 14.764 -17.955
37 H4* G 4 H4' G 4 8.294 14.416 -15.644
38 H3* G 4 H3' G 4 6.825 12.448 -17.211
39 H1* G 4 H1' G 4 7.191 12.940 -13.425
40 H8 G 4 H8 G 4 3.432 13.132 -14.709
41 H1 G 4 H1 G 4 4.098 12.089 -8.448
42 1H2 G 4 1H2 G 4 6.244 11.993 -7.884
43 2H2 G 4 2H2 G 4 7.526 12.188 -9.059
44 1H2* G 4 H2' G 4 5.465 11.738 -15.495
45 2H2* G 4 H2'' G 4 6.887 11.115 -14.713
46 1H5* T 5 H5'' T 5 9.930 11.621 -13.730
47 2H5* T 5 H5' T 5 10.931 10.384 -14.532
48 H4* T 5 H4' T 5 10.979 10.246 -12.048
49 H3* T 5 H3' T 5 10.823 8.162 -13.858
50 1H2* T 5 H2' T 5 8.582 7.562 -13.303
51 2H2* T 5 H2'' T 5 9.416 6.728 -11.925
52 H1* T 5 H1' T 5 9.112 8.402 -10.447
53 H3 T 5 H3 T 5 4.758 8.144 -9.171
54 1H5M T 5 1H7 T 5 4.689 10.016 -14.127
55 2H5M T 5 2H7 T 5 3.273 9.132 -13.492
56 3H5M T 5 3H7 T 5 4.544 8.269 -14.406
57 H6 T 5 H6 T 5 7.024 9.019 -13.340
58 1H5* G 6 H5'' G 6 10.661 8.163 -8.976
59 2H5* G 6 H5' G 6 12.142 7.161 -8.782
60 H4* G 6 H4' G 6 10.762 6.839 -6.705
61 H3* G 6 H3' G 6 11.296 4.766 -8.543
62 H1* G 6 H1' G 6 8.389 5.339 -6.278
63 H8 G 6 H8 G 6 7.469 5.364 -10.051
64 H1 G 6 H1 G 6 2.277 5.087 -6.347
65 1H2 G 6 1H2 G 6 2.908 5.200 -4.161
66 2H2 G 6 2H2 G 6 4.587 5.339 -3.685
67 1H2* G 6 H2' G 6 9.117 4.356 -8.958
68 2H2* G 6 H2'' G 6 9.146 3.541 -7.361
69 1H5* A 7 H5'' A 7 9.778 4.175 -4.238
70 2H5* A 7 H5' A 7 10.887 2.903 -3.629
71 H4* A 7 H4' A 7 8.688 2.630 -2.447
72 H3* A 7 H3' A 7 9.750 0.641 -4.178
73 H1* A 7 H1' A 7 6.166 1.474 -3.363
74 H8 A 7 H8 A 7 7.593 2.001 -6.875
75 1H6 A 7 1H6 A 7 1.684 1.860 -8.879
76 2H6 A 7 2H6 A 7 3.350 1.994 -9.386
77 H2 A 7 H2 A 7 1.713 1.465 -4.403
78 1H2* A 7 H2' A 7 8.071 0.499 -5.408
79 2H2* A 7 H2'' A 7 7.207 -0.347 -4.076
80 1H5* T 8 H5'' T 8 6.383 0.044 -1.143
81 2H5* T 8 H5' T 8 6.922 -1.304 -0.176
82 H4* T 8 H4' T 8 4.481 -1.368 -0.293
83 H3* T 8 H3' T 8 6.120 -3.485 -1.141
84 1H2* T 8 H2' T 8 5.604 -3.289 -3.315
85 2H2* T 8 H2'' T 8 4.147 -4.190 -3.044
86 H1* T 8 H1' T 8 2.768 -2.511 -2.516
87 H3 T 8 H3 T 8 1.507 -1.970 -6.937
88 1H5M T 8 1H7 T 8 6.101 -2.017 -8.051
89 2H5M T 8 2H7 T 8 6.701 -2.433 -6.377
90 3H5M T 8 3H7 T 8 6.528 -0.704 -6.879
91 H6 T 8 H6 T 8 5.651 -1.892 -4.530
92 1H5* T 9 H5'' T 9 1.383 -3.380 -0.897
93 2H5* T 9 H5' T 9 1.044 -4.869 -0.001
94 H4* T 9 H4' T 9 -0.815 -4.317 -1.569
95 H3* T 9 H3' T 9 0.451 -6.776 -1.234
96 1H2* T 9 H2' T 9 1.568 -6.783 -3.205
97 2H2* T 9 H2'' T 9 0.180 -7.341 -3.972
98 H1* T 9 H1' T 9 -0.801 -5.487 -4.440
99 H3 T 9 H3 T 9 1.092 -4.683 -8.556
100 1H5M T 9 1H7 T 9 5.140 -4.485 -5.244
101 2H5M T 9 2H7 T 9 5.368 -5.160 -6.863
102 3H5M T 9 3H7 T 9 5.061 -6.241 -5.485
103 H6 T 9 H6 T 9 2.746 -5.493 -4.129
104 1H5* G 10 H5'' G 10 -3.840 -6.550 -3.731
105 2H5* G 10 H5' G 10 -4.579 -8.014 -3.039
106 H4* G 10 H4' G 10 -5.298 -7.627 -5.459
107 H3* G 10 H3' G 10 -4.257 -10.045 -4.324
108 H1* G 10 H1' G 10 -3.726 -8.833 -7.805
109 H8 G 10 H8 G 10 -0.742 -8.913 -5.320
110 H1 G 10 H1 G 10 1.150 -7.867 -11.339
111 1H2 G 10 1H2 G 10 -0.632 -7.733 -12.690
112 2H2 G 10 2H2 G 10 -2.263 -7.905 -12.074
113 1H2* G 10 H2' G 10 -2.457 -10.198 -5.579
114 2H2* G 10 H2'' G 10 -3.515 -10.747 -6.836
115 1H5* T 11 H5'' T 11 -6.206 -10.320 -8.757
116 2H5* T 11 H5' T 11 -7.211 -11.773 -8.474
117 H4* T 11 H4' T 11 -6.282 -11.985 -10.788
118 H3* T 11 H3' T 11 -5.615 -13.779 -8.737
119 1H2* T 11 H2' T 11 -3.449 -13.894 -9.357
120 2H2* T 11 H2'' T 11 -3.922 -14.445 -11.023
121 H1* T 11 H1' T 11 -3.747 -12.593 -11.933
122 H3 T 11 H3 T 11 0.730 -11.421 -11.899
123 1H5M T 11 1H7 T 11 -0.893 -11.112 -6.835
124 2H5M T 11 2H7 T 11 0.832 -11.227 -7.274
125 3H5M T 11 3H7 T 11 -0.118 -12.701 -6.976
126 H6 T 11 H6 T 11 -2.532 -12.228 -8.440
127 1H5* T 12 H5'' T 12 -5.678 -14.497 -12.986
128 2H5* T 12 H5' T 12 -6.313 -16.033 -13.481
129 H4* T 12 H4' T 12 -4.492 -15.373 -14.986
130 H3* T 12 H3' T 12 -4.585 -17.778 -13.469
131 1H2* T 12 H2' T 12 -2.601 -17.501 -12.592
132 2H2* T 12 H2'' T 12 -1.824 -18.026 -14.013
133 H1* T 12 H1' T 12 -1.619 -15.801 -14.856
134 H3 T 12 H3 T 12 2.253 -14.936 -12.579
135 1H5M T 12 1H7 T 12 -1.000 -16.531 -8.833
136 2H5M T 12 2H7 T 12 -1.496 -14.819 -8.871
137 3H5M T 12 3H7 T 12 0.188 -15.255 -8.500
138 H6 T 12 H6 T 12 -2.303 -15.909 -11.305
139 1H5* C 13 H5'' C 13 -1.926 -17.850 -17.537
140 2H5* C 13 H5' C 13 -2.157 -19.447 -18.246
141 H4* C 13 H4' C 13 0.248 -18.733 -18.285
142 H3* C 13 H3' C 13 -0.746 -21.229 -17.635
143 H1* C 13 H1' C 13 2.341 -19.403 -15.963
144 1H4 C 13 1H4 C 13 2.596 -17.924 -9.849
145 2H4 C 13 2H4 C 13 0.918 -18.414 -9.594
146 H5 C 13 H5 C 13 -0.498 -19.252 -11.401
147 H6 C 13 H6 C 13 -0.662 -19.780 -13.645
148 1H2* C 13 H2' C 13 -0.288 -20.956 -15.288
149 2H2* C 13 H2'' C 13 1.169 -21.745 -15.770
150 1H5* A 14 H5'' A 14 4.881 -20.128 -17.755
151 2H5* A 14 H5' A 14 4.857 -21.773 -18.401
152 H4* A 14 H4' A 14 6.673 -21.652 -16.819
153 H3* A 14 H3' A 14 4.198 -23.125 -16.112
154 H1* A 14 H1' A 14 7.184 -21.664 -14.077
155 H8 A 14 H8 A 14 3.468 -21.503 -13.159
156 1H6 A 14 1H6 A 14 5.427 -18.955 -7.817
157 2H6 A 14 2H6 A 14 4.020 -19.524 -8.711
158 H2 A 14 H2 A 14 8.966 -19.661 -10.567
159 1H2* A 14 H2' A 14 4.653 -23.076 -13.892
160 2H2* A 14 H2'' A 14 6.272 -23.685 -14.111
161 1H5* G 15 H5'' G 15 8.214 -24.341 -15.075
162 2H5* G 15 H5' G 15 8.605 -26.025 -15.524
163 H4* G 15 H4' G 15 9.719 -25.439 -13.420
164 H3* G 15 H3' G 15 7.736 -27.553 -13.673
165 H1* G 15 H1' G 15 8.987 -25.253 -10.656
166 H8 G 15 H8 G 15 5.168 -25.258 -11.571
167 H1 G 15 H1 G 15 6.599 -22.971 -5.747
168 1H2 G 15 1H2 G 15 8.781 -23.087 -5.406
169 2H2 G 15 2H2 G 15 9.891 -23.722 -6.599
170 H3T G 15 H3T G 15 9.439 -28.684 -12.635
171 1H2* G 15 H2' G 15 6.844 -27.173 -11.350
172 2H2* G 15 H2'' G 15 8.484 -27.509 -10.835
173 1H5* C 16 H5'' C 16 8.411 -21.160 2.798
174 2H5* C 16 H5' C 16 9.238 -19.578 2.851
175 H4* C 16 H4' C 16 10.383 -21.186 1.265
176 H3* C 16 H3' C 16 9.466 -18.509 0.734
177 H1* C 16 H1' C 16 9.774 -21.871 -1.624
178 1H4 C 16 1H4 C 16 4.459 -22.319 -5.131
179 2H4 C 16 2H4 C 16 3.501 -21.572 -3.845
180 H5 C 16 H5 C 16 4.456 -20.758 -1.779
181 H6 C 16 H6 C 16 6.571 -20.492 -0.496
182 H5T C 16 H5T C 16 6.894 -20.287 1.432
183 1H2* C 16 H2' C 16 8.512 -19.096 -1.442
184 2H2* C 16 H2'' C 16 10.190 -19.656 -2.034
185 1H5* T 17 H5'' T 17 12.661 -19.821 -2.481
186 2H5* T 17 H5' T 17 13.800 -18.470 -2.261
187 H4* T 17 H4' T 17 13.512 -18.963 -4.711
188 H3* T 17 H3' T 17 13.073 -16.444 -3.414
189 1H2* T 17 H2' T 17 10.971 -16.219 -4.191
190 2H2* T 17 H2'' T 17 11.759 -15.781 -5.748
191 H1* T 17 H1' T 17 11.491 -18.070 -6.624
192 H3 T 17 H3 T 17 7.187 -18.570 -7.872
193 1H5M T 17 1H7 T 17 6.922 -18.139 -2.636
194 2H5M T 17 2H7 T 17 5.576 -17.544 -3.637
195 3H5M T 17 3H7 T 17 6.842 -16.421 -3.085
196 H6 T 17 H6 T 17 9.280 -17.416 -3.697
197 1H5* G 18 H5'' G 18 13.322 -18.306 -8.783
198 2H5* G 18 H5' G 18 14.259 -16.845 -9.017
199 H4* G 18 H4' G 18 12.739 -17.123 -10.705
200 H3* G 18 H3' G 18 12.623 -14.849 -8.872
201 H1* G 18 H1' G 18 9.947 -16.295 -11.227
202 H8 G 18 H8 G 18 8.656 -15.700 -7.456
203 H1 G 18 H1 G 18 4.231 -17.560 -11.662
204 1H2 G 18 1H2 G 18 5.126 -17.950 -13.648
205 2H2 G 18 2H2 G 18 6.835 -17.758 -13.967
206 1H2* G 18 H2' G 18 10.488 -14.648 -8.756
207 2H2* G 18 H2'' G 18 10.462 -14.114 -10.423
208 1H5* A 19 H5'' A 19 12.362 -14.709 -13.681
209 2H5* A 19 H5' A 19 13.011 -13.105 -14.092
210 H4* A 19 H4' A 19 11.146 -13.950 -15.822
211 H3* A 19 H3' A 19 11.377 -11.355 -14.499
212 H1* A 19 H1' A 19 8.352 -13.420 -15.513
213 H8 A 19 H8 A 19 9.353 -12.857 -11.909
214 1H6 A 19 1H6 A 19 3.532 -14.053 -10.113
215 2H6 A 19 2H6 A 19 5.141 -13.655 -9.566
216 H2 A 19 H2 A 19 3.728 -14.296 -14.590
217 1H2* A 19 H2' A 19 9.394 -11.393 -13.640
218 2H2* A 19 H2'' A 19 8.806 -11.253 -15.338
219 1H5* A 20 H5'' A 20 8.919 -11.505 -18.444
220 2H5* A 20 H5' A 20 9.024 -9.947 -19.293
221 H4* A 20 H4' A 20 6.678 -10.900 -19.188
222 H3* A 20 H3' A 20 7.431 -8.155 -18.270
223 H1* A 20 H1' A 20 4.560 -10.546 -17.143
224 H8 A 20 H8 A 20 7.342 -9.191 -14.613
225 1H6 A 20 1H6 A 20 3.180 -10.531 -10.268
226 2H6 A 20 2H6 A 20 4.777 -9.914 -10.605
227 H2 A 20 H2 A 20 1.415 -11.560 -14.340
228 1H2* A 20 H2' A 20 6.179 -8.133 -16.613
229 2H2* A 20 H2'' A 20 4.737 -8.285 -17.605
230 1H5* C 21 H5'' C 21 3.162 -8.463 -20.055
231 2H5* C 21 H5' C 21 2.865 -6.909 -20.858
232 H4* C 21 H4' C 21 0.945 -7.567 -19.446
233 H3* C 21 H3' C 21 2.400 -5.072 -19.355
234 H1* C 21 H1' C 21 0.331 -7.085 -16.596
235 1H4 C 21 1H4 C 21 2.957 -7.182 -10.839
236 2H4 C 21 2H4 C 21 4.569 -6.860 -11.465
237 H5 C 21 H5 C 21 5.012 -6.562 -13.764
238 H6 C 21 H6 C 21 4.104 -6.495 -16.029
239 1H2* C 21 H2' C 21 2.526 -5.024 -16.944
240 2H2* C 21 H2'' C 21 0.700 -4.894 -17.057
241 1H5* A 22 H5'' A 22 -2.356 -5.557 -18.096
242 2H5* A 22 H5' A 22 -2.974 -3.968 -18.654
243 H4* A 22 H4' A 22 -4.150 -5.000 -16.556
244 H3* A 22 H3' A 22 -3.562 -2.325 -17.239
245 H1* A 22 H1' A 22 -3.366 -3.960 -13.873
246 H8 A 22 H8 A 22 -0.117 -2.804 -15.599
247 1H6 A 22 1H6 A 22 2.927 -3.941 -10.221
248 2H6 A 22 2H6 A 22 3.146 -3.358 -11.865
249 H2 A 22 H2 A 22 -1.356 -4.984 -9.710
250 1H2* A 22 H2' A 22 -1.954 -2.109 -15.779
251 2H2* A 22 H2'' A 22 -3.287 -1.704 -14.646
252 1H5* A 23 H5'' A 23 -6.246 -3.903 -13.226
253 2H5* A 23 H5' A 23 -7.374 -2.559 -13.441
254 H4* A 23 H4' A 23 -7.157 -3.157 -10.920
255 H3* A 23 H3' A 23 -7.046 -0.622 -12.125
256 H1* A 23 H1' A 23 -5.073 -1.899 -9.197
257 H8 A 23 H8 A 23 -3.333 -1.273 -12.541
258 1H6 A 23 1H6 A 23 2.136 -1.668 -9.571
259 2H6 A 23 2H6 A 23 1.378 -1.363 -11.114
260 H2 A 23 H2 A 23 -1.163 -2.480 -6.637
261 1H2* A 23 H2' A 23 -4.908 -0.244 -11.609
262 2H2* A 23 H2'' A 23 -5.495 0.004 -9.904
263 1H5* T 24 H5'' T 24 -7.151 -1.067 -7.235
264 2H5* T 24 H5' T 24 -8.140 0.293 -6.714
265 H4* T 24 H4' T 24 -6.420 -0.098 -5.186
266 H3* T 24 H3' T 24 -6.840 2.522 -6.338
267 1H2* T 24 H2' T 24 -4.502 2.824 -7.141
268 2H2* T 24 H2'' T 24 -4.232 2.921 -5.382
269 H1* T 24 H1' T 24 -3.242 0.847 -5.179
270 H3 T 24 H3 T 24 0.527 1.397 -7.495
271 1H5M T 24 1H7 T 24 -3.047 1.149 -11.221
272 2H5M T 24 2H7 T 24 -3.548 2.700 -10.421
273 3H5M T 24 3H7 T 24 -1.963 2.605 -11.304
274 H6 T 24 H6 T 24 -4.065 1.517 -8.778
275 1H5* C 25 H5'' C 25 -4.628 2.492 -2.276
276 2H5* C 25 H5' C 25 -5.345 3.859 -1.348
277 H4* C 25 H4' C 25 -2.928 3.491 -0.867
278 H3* C 25 H3' C 25 -4.012 5.993 -1.586
279 H1* C 25 H1' C 25 -0.491 4.615 -2.508
280 1H4 C 25 1H4 C 25 0.682 4.646 -8.762
281 2H4 C 25 2H4 C 25 -1.043 4.551 -9.134
282 H5 C 25 H5 C 25 -2.698 4.508 -7.468
283 H6 C 25 H6 C 25 -3.196 4.539 -5.030
284 1H2* C 25 H2' C 25 -2.865 6.141 -3.557
285 2H2* C 25 H2'' C 25 -1.527 6.753 -2.542
286 1H5* A 26 H5'' A 26 1.085 5.303 -0.101
287 2H5* A 26 H5' A 26 0.702 6.518 1.112
288 H4* A 26 H4' A 26 3.033 6.716 0.378
289 H3* A 26 H3' A 26 1.097 8.827 0.280
290 H1* A 26 H1' A 26 4.127 8.363 -2.202
291 H8 A 26 H8 A 26 0.395 8.244 -3.433
292 1H6 A 26 1H6 A 26 2.770 8.426 -9.162
293 2H6 A 26 2H6 A 26 1.304 8.426 -8.210
294 H2 A 26 H2 A 26 6.178 8.203 -6.241
295 1H2* A 26 H2' A 26 1.331 9.375 -1.833
296 2H2* A 26 H2'' A 26 2.887 10.112 -1.355
297 1H5* C 27 H5'' C 27 5.445 9.101 0.098
298 2H5* C 27 H5' C 27 6.250 10.435 0.948
299 H4* C 27 H4' C 27 7.460 9.817 -1.138
300 H3* C 27 H3' C 27 6.307 12.480 -0.590
301 H1* C 27 H1' C 27 7.120 10.651 -3.960
302 1H4 C 27 1H4 C 27 2.327 12.183 -7.937
303 2H4 C 27 2H4 C 27 1.173 12.192 -6.602
304 H5 C 27 H5 C 27 1.816 11.823 -4.290
305 H6 C 27 H6 C 27 3.699 11.371 -2.798
306 1H2* C 27 H2' C 27 5.834 13.003 -2.661
307 2H2* C 27 H2'' C 27 7.519 12.698 -3.179
308 1H5* C 28 H5'' C 28 10.045 12.857 -3.305
309 2H5* C 28 H5' C 28 10.954 14.155 -2.500
310 H4* C 28 H4' C 28 10.855 14.589 -4.900
311 H3* C 28 H3' C 28 9.893 16.419 -2.844
312 H1* C 28 H1' C 28 8.834 15.789 -6.745
313 1H4 C 28 1H4 C 28 2.597 15.525 -7.851
314 2H4 C 28 2H4 C 28 2.270 14.866 -6.247
315 H5 C 28 H5 C 28 3.961 14.494 -4.629
316 H6 C 28 H6 C 28 6.320 14.641 -4.118
317 1H2* C 28 H2' C 28 7.801 16.649 -3.977
318 2H2* C 28 H2'' C 28 8.673 17.642 -5.171
319 1H5* C 29 H5'' C 29 10.705 18.211 -7.002
320 2H5* C 29 H5' C 29 11.770 19.592 -6.560
321 H4* C 29 H4' C 29 10.384 20.385 -8.382
322 H3* C 29 H3' C 29 9.800 21.348 -5.644
323 H1* C 29 H1' C 29 7.664 21.051 -8.888
324 1H4 C 29 1H4 C 29 1.890 18.754 -7.391
325 2H4 C 29 2H4 C 29 2.422 18.333 -5.761
326 H5 C 29 H5 C 29 4.672 18.726 -4.939
327 H6 C 29 H6 C 29 6.886 19.609 -5.518
328 1H2* C 29 H2' C 29 7.653 21.637 -5.951
329 2H2* C 29 H2'' C 29 7.932 22.741 -7.315
330 1H5* C 30 H5'' C 30 9.541 24.229 -9.318
331 2H5* C 30 H5' C 30 9.987 25.865 -8.782
332 H4* C 30 H4' C 30 8.047 25.933 -10.345
333 H3* C 30 H3' C 30 7.804 26.754 -7.484
334 H1* C 30 H1' C 30 5.121 25.418 -10.013
335 1H4 C 30 1H4 C 30 1.395 22.171 -5.989
336 2H4 C 30 2H4 C 30 2.689 22.007 -4.813
337 H5 C 30 H5 C 30 4.903 22.963 -5.143
338 H6 C 30 H6 C 30 6.306 24.256 -6.660
339 H3T C 30 H3T C 30 7.173 28.218 -9.829
340 1H2* C 30 H2' C 30 5.630 26.644 -7.400
341 2H2* C 30 H2'' C 30 5.388 27.440 -8.981
Start of MODEL 8
1 1H5* G 1 H5'' G 1 -8.088 23.537 -11.546
2 2H5* G 1 H5' G 1 -8.845 22.077 -12.058
3 H4* G 1 H4' G 1 -6.697 22.482 -13.425
4 H3* G 1 H3' G 1 -6.889 20.052 -11.674
5 H1* G 1 H1' G 1 -3.750 22.255 -12.943
6 H8 G 1 H8 G 1 -4.539 21.491 -9.148
7 H1 G 1 H1 G 1 1.594 22.540 -10.577
8 1H2 G 1 1H2 G 1 1.870 22.800 -12.758
9 2H2 G 1 2H2 G 1 0.538 22.718 -13.890
10 H5T G 1 H5T G 1 -7.099 22.380 -9.833
11 1H2* G 1 H2' G 1 -4.756 19.954 -11.287
12 2H2* G 1 H2'' G 1 -4.387 19.765 -12.980
13 1H5* G 2 H5'' G 2 -5.044 20.529 -15.290
14 2H5* G 2 H5' G 2 -5.042 19.385 -16.651
15 H4* G 2 H4' G 2 -2.882 20.645 -16.391
16 H3* G 2 H3' G 2 -3.171 17.826 -16.702
17 H1* G 2 H1' G 2 -0.484 19.771 -14.686
18 H8 G 2 H8 G 2 -3.167 18.142 -12.321
19 H1 G 2 H1 G 2 2.775 18.384 -9.945
20 1H2 G 2 1H2 G 2 4.171 19.156 -11.485
21 2H2 G 2 2H2 G 2 3.644 19.610 -13.090
22 1H2* G 2 H2' G 2 -2.170 17.250 -14.786
23 2H2* G 2 H2'' G 2 -0.625 17.579 -15.627
24 1H5* G 3 H5'' G 3 1.919 19.492 -17.736
25 2H5* G 3 H5' G 3 1.793 18.477 -19.171
26 H4* G 3 H4' G 3 4.009 18.183 -17.975
27 H3* G 3 H3' G 3 2.292 16.061 -18.809
28 H1* G 3 H1' G 3 4.559 16.159 -15.779
29 H8 G 3 H8 G 3 0.861 15.750 -14.970
30 H1 G 3 H1 G 3 4.640 15.270 -9.833
31 1H2 G 3 1H2 G 3 6.750 15.693 -10.416
32 2H2 G 3 2H2 G 3 7.196 16.093 -12.073
33 1H2* G 3 H2' G 3 1.825 15.389 -16.725
34 2H2* G 3 H2'' G 3 3.397 14.502 -16.931
35 1H5* G 4 H5'' G 4 6.695 15.045 -17.339
36 2H5* G 4 H5' G 4 7.310 13.732 -18.363
37 H4* G 4 H4' G 4 8.075 13.533 -16.009
38 H3* G 4 H3' G 4 6.690 11.456 -17.523
39 H1* G 4 H1' G 4 6.960 12.170 -13.791
40 H8 G 4 H8 G 4 3.202 12.251 -15.071
41 H1 G 4 H1 G 4 3.835 11.567 -8.765
42 1H2 G 4 1H2 G 4 5.972 11.491 -8.193
43 2H2 G 4 2H2 G 4 7.265 11.611 -9.366
44 1H2* G 4 H2' G 4 5.270 10.839 -15.811
45 2H2* G 4 H2'' G 4 6.668 10.252 -14.964
46 1H5* T 5 H5'' T 5 9.770 11.171 -14.163
47 2H5* T 5 H5' T 5 10.906 9.876 -14.627
48 H4* T 5 H4' T 5 10.825 10.378 -12.178
49 H3* T 5 H3' T 5 11.060 7.937 -13.422
50 1H2* T 5 H2' T 5 8.821 7.265 -12.963
51 2H2* T 5 H2'' T 5 9.577 6.737 -11.400
52 H1* T 5 H1' T 5 9.152 8.677 -10.294
53 H3 T 5 H3 T 5 4.734 8.074 -9.063
54 1H5M T 5 1H7 T 5 3.376 8.048 -13.558
55 2H5M T 5 2H7 T 5 4.853 7.315 -14.267
56 3H5M T 5 3H7 T 5 4.671 9.072 -14.244
57 H6 T 5 H6 T 5 7.071 8.485 -13.245
58 1H5* G 6 H5'' G 6 10.230 8.786 -8.369
59 2H5* G 6 H5' G 6 11.793 7.949 -8.006
60 H4* G 6 H4' G 6 10.271 7.532 -6.052
61 H3* G 6 H3' G 6 11.126 5.472 -7.788
62 H1* G 6 H1' G 6 8.061 5.870 -5.745
63 H8 G 6 H8 G 6 7.313 5.770 -9.553
64 H1 G 6 H1 G 6 1.966 5.308 -6.126
65 1H2 G 6 1H2 G 6 2.489 5.484 -3.897
66 2H2 G 6 2H2 G 6 4.143 5.707 -3.372
67 1H2* G 6 H2' G 6 9.010 4.870 -8.359
68 2H2* G 6 H2'' G 6 9.000 4.100 -6.763
69 1H5* A 7 H5'' A 7 9.301 4.841 -3.422
70 2H5* A 7 H5' A 7 10.531 3.667 -2.847
71 H4* A 7 H4' A 7 8.336 3.129 -1.677
72 H3* A 7 H3' A 7 9.618 1.322 -3.450
73 H1* A 7 H1' A 7 5.956 1.787 -2.668
74 H8 A 7 H8 A 7 7.453 2.597 -6.090
75 1H6 A 7 1H6 A 7 1.691 2.336 -8.415
76 2H6 A 7 2H6 A 7 3.377 2.567 -8.800
77 H2 A 7 H2 A 7 1.491 1.656 -3.959
78 1H2* A 7 H2' A 7 7.990 1.069 -4.698
79 2H2* A 7 H2'' A 7 7.147 0.091 -3.460
80 1H5* T 8 H5'' T 8 6.418 0.250 -0.567
81 2H5* T 8 H5' T 8 6.945 -1.139 0.342
82 H4* T 8 H4' T 8 4.539 -1.321 -0.003
83 H3* T 8 H3' T 8 6.382 -3.279 -0.811
84 1H2* T 8 H2' T 8 6.004 -3.039 -2.989
85 2H2* T 8 H2'' T 8 4.542 -4.019 -2.865
86 H1* T 8 H1' T 8 3.074 -2.469 -2.352
87 H3 T 8 H3 T 8 1.947 -1.791 -6.763
88 1H5M T 8 1H7 T 8 6.599 -1.709 -7.714
89 2H5M T 8 2H7 T 8 7.136 -2.107 -6.035
90 3H5M T 8 3H7 T 8 6.937 -0.397 -6.530
91 H6 T 8 H6 T 8 5.994 -1.647 -4.240
92 1H5* T 9 H5'' T 9 1.687 -3.596 -0.880
93 2H5* T 9 H5' T 9 1.344 -5.167 -0.147
94 H4* T 9 H4' T 9 -0.342 -4.602 -1.897
95 H3* T 9 H3' T 9 1.053 -7.008 -1.577
96 1H2* T 9 H2' T 9 2.331 -6.859 -3.453
97 2H2* T 9 H2'' T 9 1.061 -7.395 -4.419
98 H1* T 9 H1' T 9 -0.004 -5.565 -4.776
99 H3 T 9 H3 T 9 2.186 -4.481 -8.660
100 1H5M T 9 1H7 T 9 6.334 -4.708 -6.575
101 2H5M T 9 2H7 T 9 5.983 -6.039 -5.448
102 3H5M T 9 3H7 T 9 5.896 -4.360 -4.890
103 H6 T 9 H6 T 9 3.479 -5.391 -4.161
104 1H5* G 10 H5'' G 10 -3.204 -7.148 -3.344
105 2H5* G 10 H5' G 10 -4.103 -8.580 -2.783
106 H4* G 10 H4' G 10 -4.691 -8.016 -5.161
107 H3* G 10 H3' G 10 -3.606 -10.569 -4.247
108 H1* G 10 H1' G 10 -3.214 -8.994 -7.611
109 H8 G 10 H8 G 10 -0.169 -9.280 -5.223
110 H1 G 10 H1 G 10 1.584 -8.195 -11.297
111 1H2 G 10 1H2 G 10 -0.229 -7.984 -12.591
112 2H2 G 10 2H2 G 10 -1.845 -8.117 -11.928
113 1H2* G 10 H2' G 10 -1.910 -10.637 -5.624
114 2H2* G 10 H2'' G 10 -3.038 -11.035 -6.856
115 1H5* T 11 H5'' T 11 -5.825 -10.001 -8.390
116 2H5* T 11 H5' T 11 -6.990 -11.363 -8.284
117 H4* T 11 H4' T 11 -6.371 -11.154 -10.694
118 H3* T 11 H3' T 11 -5.849 -13.410 -9.193
119 1H2* T 11 H2' T 11 -3.735 -13.543 -9.894
120 2H2* T 11 H2'' T 11 -4.297 -13.827 -11.614
121 H1* T 11 H1' T 11 -4.011 -11.869 -12.262
122 H3 T 11 H3 T 11 0.610 -11.377 -12.439
123 1H5M T 11 1H7 T 11 1.049 -11.959 -7.901
124 2H5M T 11 2H7 T 11 -0.306 -13.058 -7.577
125 3H5M T 11 3H7 T 11 -0.495 -11.308 -7.307
126 H6 T 11 H6 T 11 -2.531 -12.145 -8.880
127 1H5* T 12 H5'' T 12 -6.079 -13.520 -13.523
128 2H5* T 12 H5' T 12 -6.861 -14.945 -14.136
129 H4* T 12 H4' T 12 -4.908 -14.399 -15.543
130 H3* T 12 H3' T 12 -5.361 -16.864 -14.188
131 1H2* T 12 H2' T 12 -3.415 -16.875 -13.220
132 2H2* T 12 H2'' T 12 -2.586 -17.401 -14.613
133 H1* T 12 H1' T 12 -2.148 -15.182 -15.367
134 H3 T 12 H3 T 12 1.727 -14.819 -12.974
135 1H5M T 12 1H7 T 12 -0.390 -15.529 -9.007
136 2H5M T 12 2H7 T 12 -1.968 -16.216 -9.440
137 3H5M T 12 3H7 T 12 -1.785 -14.449 -9.215
138 H6 T 12 H6 T 12 -2.897 -15.436 -11.856
139 1H5* C 13 H5'' C 13 -2.779 -17.325 -18.264
140 2H5* C 13 H5' C 13 -3.164 -18.902 -18.958
141 H4* C 13 H4' C 13 -0.691 -18.449 -18.919
142 H3* C 13 H3' C 13 -2.000 -20.810 -18.300
143 H1* C 13 H1' C 13 1.258 -19.308 -16.616
144 1H4 C 13 1H4 C 13 1.656 -18.079 -10.438
145 2H4 C 13 2H4 C 13 -0.067 -18.359 -10.211
146 H5 C 13 H5 C 13 -1.558 -18.945 -12.039
147 H6 C 13 H6 C 13 -1.778 -19.375 -14.316
148 1H2* C 13 H2' C 13 -1.514 -20.585 -15.940
149 2H2* C 13 H2'' C 13 -0.173 -21.543 -16.414
150 1H5* A 14 H5'' A 14 3.817 -20.238 -18.311
151 2H5* A 14 H5' A 14 3.543 -21.836 -19.029
152 H4* A 14 H4' A 14 5.287 -22.061 -17.377
153 H3* A 14 H3' A 14 2.575 -23.127 -16.804
154 H1* A 14 H1' A 14 5.717 -22.255 -14.677
155 H8 A 14 H8 A 14 2.064 -21.604 -13.735
156 1H6 A 14 1H6 A 14 4.322 -19.481 -8.341
157 2H6 A 14 2H6 A 14 2.863 -19.843 -9.254
158 H2 A 14 H2 A 14 7.759 -20.565 -11.121
159 1H2* A 14 H2' A 14 3.001 -23.278 -14.578
160 2H2* A 14 H2'' A 14 4.505 -24.108 -14.793
161 1H5* G 15 H5'' G 15 6.355 -24.992 -15.830
162 2H5* G 15 H5' G 15 6.522 -26.710 -16.294
163 H4* G 15 H4' G 15 7.714 -26.240 -14.181
164 H3* G 15 H3' G 15 5.581 -28.188 -14.481
165 H1* G 15 H1' G 15 7.009 -26.047 -11.432
166 H8 G 15 H8 G 15 3.214 -25.643 -12.358
167 H1 G 15 H1 G 15 4.817 -23.682 -6.467
168 1H2 G 15 1H2 G 15 6.969 -24.028 -6.118
169 2H2 G 15 2H2 G 15 8.022 -24.738 -7.320
170 H3T G 15 H3T G 15 7.160 -29.476 -13.552
171 1H2* G 15 H2' G 15 4.677 -27.719 -12.172
172 2H2* G 15 H2'' G 15 6.267 -28.240 -11.635
173 1H5* C 16 H5'' C 16 7.109 -22.528 2.059
174 2H5* C 16 H5' C 16 8.120 -21.066 2.250
175 H4* C 16 H4' C 16 9.103 -22.624 0.521
176 H3* C 16 H3' C 16 8.427 -19.847 0.185
177 H1* C 16 H1' C 16 8.436 -23.065 -2.385
178 1H4 C 16 1H4 C 16 3.050 -22.983 -5.826
179 2H4 C 16 2H4 C 16 2.159 -22.259 -4.485
180 H5 C 16 H5 C 16 3.194 -21.630 -2.391
181 H6 C 16 H6 C 16 5.331 -21.569 -1.136
182 H5T C 16 H5T C 16 5.796 -21.302 0.648
183 1H2* C 16 H2' C 16 7.362 -20.221 -1.980
184 2H2* C 16 H2'' C 16 8.960 -20.858 -2.692
185 1H5* T 17 H5'' T 17 11.505 -21.160 -3.106
186 2H5* T 17 H5' T 17 12.753 -19.902 -2.872
187 H4* T 17 H4' T 17 12.352 -20.314 -5.340
188 H3* T 17 H3' T 17 12.231 -17.811 -3.959
189 1H2* T 17 H2' T 17 10.121 -17.380 -4.654
190 2H2* T 17 H2'' T 17 10.907 -16.943 -6.207
191 H1* T 17 H1' T 17 10.457 -19.181 -7.161
192 H3 T 17 H3 T 17 6.106 -19.293 -8.402
193 1H5M T 17 1H7 T 17 6.004 -17.225 -3.538
194 2H5M T 17 2H7 T 17 5.820 -18.954 -3.180
195 3H5M T 17 3H7 T 17 4.598 -18.116 -4.162
196 H6 T 17 H6 T 17 8.300 -18.403 -4.222
197 1H5* G 18 H5'' G 18 12.250 -19.574 -9.354
198 2H5* G 18 H5' G 18 13.362 -18.233 -9.556
199 H4* G 18 H4' G 18 11.886 -18.380 -11.285
200 H3* G 18 H3' G 18 12.054 -16.058 -9.553
201 H1* G 18 H1' G 18 9.210 -17.151 -11.836
202 H8 G 18 H8 G 18 7.935 -16.586 -8.027
203 H1 G 18 H1 G 18 3.369 -17.996 -12.214
204 1H2 G 18 1H2 G 18 4.208 -18.410 -14.242
205 2H2 G 18 2H2 G 18 5.924 -18.338 -14.571
206 1H2* G 18 H2' G 18 9.951 -15.773 -9.255
207 2H2* G 18 H2'' G 18 9.888 -15.054 -10.863
208 1H5* A 19 H5'' A 19 11.850 -15.733 -14.273
209 2H5* A 19 H5' A 19 12.632 -14.192 -14.724
210 H4* A 19 H4' A 19 10.609 -14.903 -16.411
211 H3* A 19 H3' A 19 11.131 -12.301 -15.134
212 H1* A 19 H1' A 19 8.007 -14.143 -16.112
213 H8 A 19 H8 A 19 8.995 -13.733 -12.510
214 1H6 A 19 1H6 A 19 3.044 -14.246 -10.753
215 2H6 A 19 2H6 A 19 4.681 -14.062 -10.172
216 H2 A 19 H2 A 19 3.250 -14.404 -15.213
217 1H2* A 19 H2' A 19 9.202 -12.220 -14.197
218 2H2* A 19 H2'' A 19 8.553 -12.004 -15.860
219 1H5* A 20 H5'' A 20 8.574 -12.077 -19.019
220 2H5* A 20 H5' A 20 8.837 -10.513 -19.828
221 H4* A 20 H4' A 20 6.411 -11.191 -19.640
222 H3* A 20 H3' A 20 7.450 -8.527 -18.709
223 H1* A 20 H1' A 20 4.401 -10.639 -17.517
224 H8 A 20 H8 A 20 7.427 -9.779 -15.045
225 1H6 A 20 1H6 A 20 3.333 -10.879 -10.580
226 2H6 A 20 2H6 A 20 4.975 -10.441 -10.975
227 H2 A 20 H2 A 20 1.271 -11.426 -14.621
228 1H2* A 20 H2' A 20 6.368 -8.500 -16.954
229 2H2* A 20 H2'' A 20 4.855 -8.376 -17.844
230 1H5* C 21 H5'' C 21 3.116 -8.540 -20.200
231 2H5* C 21 H5' C 21 2.821 -6.955 -20.945
232 H4* C 21 H4' C 21 1.005 -7.532 -19.379
233 H3* C 21 H3' C 21 2.651 -5.144 -19.287
234 H1* C 21 H1' C 21 0.605 -7.189 -16.533
235 1H4 C 21 1H4 C 21 3.441 -7.714 -10.911
236 2H4 C 21 2H4 C 21 5.041 -7.411 -11.575
237 H5 C 21 H5 C 21 5.407 -7.001 -13.879
238 H6 C 21 H6 C 21 4.419 -6.781 -16.091
239 1H2* C 21 H2' C 21 2.876 -5.220 -16.892
240 2H2* C 21 H2'' C 21 1.069 -4.986 -16.892
241 1H5* A 22 H5'' A 22 -1.870 -5.571 -17.745
242 2H5* A 22 H5' A 22 -2.551 -4.012 -18.341
243 H4* A 22 H4' A 22 -3.684 -5.032 -16.211
244 H3* A 22 H3' A 22 -3.144 -2.362 -16.942
245 H1* A 22 H1' A 22 -2.955 -3.964 -13.594
246 H8 A 22 H8 A 22 0.343 -2.924 -15.279
247 1H6 A 22 1H6 A 22 3.351 -3.876 -9.863
248 2H6 A 22 2H6 A 22 3.533 -3.375 -11.528
249 H2 A 22 H2 A 22 -1.032 -4.842 -9.341
250 1H2* A 22 H2' A 22 -1.499 -2.161 -15.509
251 2H2* A 22 H2'' A 22 -2.795 -1.691 -14.356
252 1H5* A 23 H5'' A 23 -5.794 -3.965 -12.819
253 2H5* A 23 H5' A 23 -6.949 -2.645 -13.129
254 H4* A 23 H4' A 23 -6.723 -3.098 -10.532
255 H3* A 23 H3' A 23 -6.672 -0.648 -11.950
256 H1* A 23 H1' A 23 -4.758 -1.742 -8.886
257 H8 A 23 H8 A 23 -2.982 -1.119 -12.255
258 1H6 A 23 1H6 A 23 2.480 -1.269 -9.269
259 2H6 A 23 2H6 A 23 1.710 -1.020 -10.817
260 H2 A 23 H2 A 23 -0.801 -2.135 -6.316
261 1H2* A 23 H2' A 23 -4.595 -0.115 -11.328
262 2H2* A 23 H2'' A 23 -5.228 0.131 -9.659
263 1H5* T 24 H5'' T 24 -7.068 -0.878 -7.189
264 2H5* T 24 H5' T 24 -8.092 0.476 -6.702
265 H4* T 24 H4' T 24 -6.420 0.120 -5.141
266 H3* T 24 H3' T 24 -6.871 2.666 -6.379
267 1H2* T 24 H2' T 24 -4.467 3.069 -7.006
268 2H2* T 24 H2'' T 24 -4.237 3.099 -5.242
269 H1* T 24 H1' T 24 -3.275 1.057 -5.058
270 H3 T 24 H3 T 24 0.579 1.657 -7.198
271 1H5M T 24 1H7 T 24 -3.398 3.069 -10.222
272 2H5M T 24 2H7 T 24 -2.850 1.596 -11.106
273 3H5M T 24 3H7 T 24 -1.814 3.078 -11.054
274 H6 T 24 H6 T 24 -3.945 1.845 -8.669
275 1H5* C 25 H5'' C 25 -4.852 2.759 -2.279
276 2H5* C 25 H5' C 25 -5.721 4.052 -1.373
277 H4* C 25 H4' C 25 -3.333 3.802 -0.724
278 H3* C 25 H3' C 25 -4.506 6.248 -1.372
279 H1* C 25 H1' C 25 -0.872 5.183 -2.306
280 1H4 C 25 1H4 C 25 0.404 5.101 -8.540
281 2H4 C 25 2H4 C 25 -1.308 4.963 -8.945
282 H5 C 25 H5 C 25 -2.992 4.896 -7.317
283 H6 C 25 H6 C 25 -3.529 4.939 -4.866
284 1H2* C 25 H2' C 25 -3.383 6.485 -3.368
285 2H2* C 25 H2'' C 25 -2.100 7.222 -2.382
286 1H5* A 26 H5'' A 26 0.681 5.736 0.169
287 2H5* A 26 H5' A 26 0.283 7.053 1.274
288 H4* A 26 H4' A 26 2.571 7.285 0.415
289 H3* A 26 H3' A 26 0.514 9.278 0.184
290 H1* A 26 H1' A 26 3.569 8.684 -2.190
291 H8 A 26 H8 A 26 -0.061 8.211 -3.587
292 1H6 A 26 1H6 A 26 2.591 8.069 -9.209
293 2H6 A 26 2H6 A 26 1.075 8.020 -8.338
294 H2 A 26 H2 A 26 5.832 8.446 -6.134
295 1H2* A 26 H2' A 26 0.689 9.567 -1.988
296 2H2* A 26 H2'' A 26 2.170 10.512 -1.641
297 1H5* C 27 H5'' C 27 4.854 9.258 -0.193
298 2H5* C 27 H5' C 27 5.651 10.570 0.701
299 H4* C 27 H4' C 27 7.035 9.826 -1.233
300 H3* C 27 H3' C 27 6.011 12.542 -0.844
301 H1* C 27 H1' C 27 6.882 10.604 -4.157
302 1H4 C 27 1H4 C 27 2.085 11.856 -8.268
303 2H4 C 27 2H4 C 27 0.935 11.974 -6.938
304 H5 C 27 H5 C 27 1.570 11.767 -4.610
305 H6 C 27 H6 C 27 3.453 11.399 -3.082
306 1H2* C 27 H2' C 27 5.499 12.964 -2.930
307 2H2* C 27 H2'' C 27 7.207 12.720 -3.410
308 1H5* C 28 H5'' C 28 9.953 12.555 -3.404
309 2H5* C 28 H5' C 28 10.878 13.914 -2.725
310 H4* C 28 H4' C 28 10.862 14.012 -5.205
311 H3* C 28 H3' C 28 10.059 16.155 -3.432
312 H1* C 28 H1' C 28 8.915 15.071 -7.215
313 1H4 C 28 1H4 C 28 2.646 14.960 -8.220
314 2H4 C 28 2H4 C 28 2.337 14.494 -6.553
315 H5 C 28 H5 C 28 4.025 14.255 -4.939
316 H6 C 28 H6 C 28 6.401 14.385 -4.466
317 1H2* C 28 H2' C 28 7.977 16.377 -4.581
318 2H2* C 28 H2'' C 28 8.916 17.139 -5.893
319 1H5* C 29 H5'' C 29 11.132 17.082 -7.860
320 2H5* C 29 H5' C 29 12.218 18.511 -7.702
321 H4* C 29 H4' C 29 10.908 18.791 -9.745
322 H3* C 29 H3' C 29 10.351 20.493 -7.398
323 H1* C 29 H1' C 29 8.159 19.352 -10.436
324 1H4 C 29 1H4 C 29 2.372 17.976 -8.009
325 2H4 C 29 2H4 C 29 3.069 17.666 -6.420
326 H5 C 29 H5 C 29 5.420 17.924 -5.926
327 H6 C 29 H6 C 29 7.600 18.535 -6.856
328 1H2* C 29 H2' C 29 8.233 20.713 -7.766
329 2H2* C 29 H2'' C 29 8.486 21.422 -9.385
330 1H5* C 30 H5'' C 30 10.085 21.918 -11.653
331 2H5* C 30 H5' C 30 10.585 23.609 -11.893
332 H4* C 30 H4' C 30 8.584 23.008 -13.299
333 H3* C 30 H3' C 30 8.489 25.077 -11.136
334 H1* C 30 H1' C 30 5.653 22.860 -12.667
335 1H4 C 30 1H4 C 30 2.093 22.237 -7.403
336 2H4 C 30 2H4 C 30 3.507 22.322 -6.374
337 H5 C 30 H5 C 30 5.746 22.697 -7.234
338 H6 C 30 H6 C 30 7.069 23.065 -9.260
339 H3T C 30 H3T C 30 9.436 25.374 -13.332
340 1H2* C 30 H2' C 30 6.324 25.176 -11.016
341 2H2* C 30 H2'' C 30 6.057 25.109 -12.780
Start of MODEL 9
1 1H5* G 1 H5'' G 1 -5.108 24.226 -14.076
2 2H5* G 1 H5' G 1 -5.874 23.003 -15.025
3 H4* G 1 H4' G 1 -3.467 23.340 -15.806
4 H3* G 1 H3' G 1 -4.328 20.695 -14.756
5 H1* G 1 H1' G 1 -0.724 22.548 -14.690
6 H8 G 1 H8 G 1 -2.309 20.613 -11.611
7 H1 G 1 H1 G 1 3.416 23.331 -10.644
8 1H2 G 1 1H2 G 1 4.045 24.470 -12.441
9 2H2 G 1 2H2 G 1 3.056 24.565 -13.886
10 H5T G 1 H5T G 1 -6.207 22.644 -12.834
11 1H2* G 1 H2' G 1 -2.417 20.215 -13.743
12 2H2* G 1 H2'' G 1 -1.607 20.212 -15.254
13 1H5* G 2 H5'' G 2 -1.357 21.642 -17.794
14 2H5* G 2 H5' G 2 -1.149 20.554 -19.182
15 H4* G 2 H4' G 2 0.997 21.552 -18.457
16 H3* G 2 H3' G 2 0.473 18.747 -18.768
17 H1* G 2 H1' G 2 2.920 20.476 -16.280
18 H8 G 2 H8 G 2 -0.215 18.671 -14.694
19 H1 G 2 H1 G 2 4.734 19.681 -10.730
20 1H2 G 2 1H2 G 2 6.378 20.672 -11.818
21 2H2 G 2 2H2 G 2 6.271 21.089 -13.516
22 1H2* G 2 H2' G 2 1.066 18.127 -16.723
23 2H2* G 2 H2'' G 2 2.760 18.329 -17.257
24 1H5* G 3 H5'' G 3 6.306 19.577 -18.789
25 2H5* G 3 H5' G 3 5.946 18.485 -20.128
26 H4* G 3 H4' G 3 7.644 17.526 -18.522
27 H3* G 3 H3' G 3 5.174 16.220 -19.349
28 H1* G 3 H1' G 3 7.139 15.852 -16.040
29 H8 G 3 H8 G 3 3.380 16.288 -15.894
30 H1 G 3 H1 G 3 6.245 16.416 -10.166
31 1H2 G 3 1H2 G 3 8.456 16.479 -10.422
32 2H2 G 3 2H2 G 3 9.215 16.489 -12.015
33 1H2* G 3 H2' G 3 4.497 15.632 -17.379
34 2H2* G 3 H2'' G 3 5.865 14.475 -17.342
35 1H5* G 4 H5'' G 4 8.783 14.130 -17.735
36 2H5* G 4 H5' G 4 9.204 12.658 -18.638
37 H4* G 4 H4' G 4 9.777 12.405 -16.260
38 H3* G 4 H3' G 4 7.858 10.683 -17.665
39 H1* G 4 H1' G 4 8.284 11.632 -13.931
40 H8 G 4 H8 G 4 4.729 12.311 -15.563
41 H1 G 4 H1 G 4 4.850 12.180 -9.172
42 1H2 G 4 1H2 G 4 6.898 11.801 -8.433
43 2H2 G 4 2H2 G 4 8.255 11.577 -9.517
44 1H2* G 4 H2' G 4 6.448 10.391 -15.866
45 2H2* G 4 H2'' G 4 7.763 9.719 -14.978
46 1H5* T 5 H5'' T 5 10.665 9.764 -14.152
47 2H5* T 5 H5' T 5 11.505 8.301 -14.722
48 H4* T 5 H4' T 5 11.499 8.516 -12.224
49 H3* T 5 H3' T 5 11.071 6.268 -13.748
50 1H2* T 5 H2' T 5 8.729 6.105 -13.223
51 2H2* T 5 H2'' T 5 9.409 5.355 -11.721
52 H1* T 5 H1' T 5 9.295 7.217 -10.473
53 H3 T 5 H3 T 5 4.916 7.906 -9.423
54 1H5M T 5 1H7 T 5 5.201 9.058 -14.543
55 2H5M T 5 2H7 T 5 3.726 8.282 -13.928
56 3H5M T 5 3H7 T 5 5.002 7.305 -14.697
57 H6 T 5 H6 T 5 7.419 7.744 -13.539
58 1H5* G 6 H5'' G 6 10.744 6.913 -8.916
59 2H5* G 6 H5' G 6 12.116 5.797 -8.599
60 H4* G 6 H4' G 6 10.726 5.877 -6.504
61 H3* G 6 H3' G 6 11.175 3.573 -8.011
62 H1* G 6 H1' G 6 8.152 4.544 -6.042
63 H8 G 6 H8 G 6 7.431 4.203 -9.863
64 H1 G 6 H1 G 6 2.082 4.992 -6.487
65 1H2 G 6 1H2 G 6 2.612 5.324 -4.315
66 2H2 G 6 2H2 G 6 4.269 5.344 -3.746
67 1H2* G 6 H2' G 6 9.000 3.329 -8.603
68 2H2* G 6 H2'' G 6 8.877 2.609 -6.963
69 1H5* A 7 H5'' A 7 9.324 3.691 -3.669
70 2H5* A 7 H5' A 7 10.348 2.418 -2.929
71 H4* A 7 H4' A 7 8.156 2.374 -1.712
72 H3* A 7 H3' A 7 9.042 0.199 -3.276
73 H1* A 7 H1' A 7 5.507 1.360 -2.613
74 H8 A 7 H8 A 7 7.071 1.518 -6.094
75 1H6 A 7 1H6 A 7 1.262 1.862 -8.327
76 2H6 A 7 2H6 A 7 2.955 1.786 -8.751
77 H2 A 7 H2 A 7 1.098 1.766 -3.811
78 1H2* A 7 H2' A 7 7.380 0.096 -4.517
79 2H2* A 7 H2'' A 7 6.425 -0.580 -3.149
80 1H5* T 8 H5'' T 8 5.640 -0.152 -0.493
81 2H5* T 8 H5' T 8 5.996 -1.431 0.627
82 H4* T 8 H4' T 8 3.602 -1.503 0.191
83 H3* T 8 H3' T 8 5.351 -3.651 -0.360
84 1H2* T 8 H2' T 8 5.080 -3.612 -2.573
85 2H2* T 8 H2'' T 8 3.544 -4.460 -2.404
86 H1* T 8 H1' T 8 2.175 -2.738 -2.157
87 H3 T 8 H3 T 8 1.346 -2.399 -6.627
88 1H5M T 8 1H7 T 8 6.416 -1.398 -6.243
89 2H5M T 8 2H7 T 8 5.997 -2.733 -7.378
90 3H5M T 8 3H7 T 8 6.428 -3.093 -5.650
91 H6 T 8 H6 T 8 5.284 -2.351 -3.920
92 1H5* T 9 H5'' T 9 0.737 -4.118 -0.300
93 2H5* T 9 H5' T 9 0.373 -5.654 0.522
94 H4* T 9 H4' T 9 -1.282 -5.265 -1.247
95 H3* T 9 H3' T 9 0.336 -7.562 -0.974
96 1H2* T 9 H2' T 9 1.443 -7.407 -2.919
97 2H2* T 9 H2'' T 9 0.084 -7.911 -3.783
98 H1* T 9 H1' T 9 -0.938 -6.079 -4.162
99 H3 T 9 H3 T 9 1.110 -4.866 -8.033
100 1H5M T 9 1H7 T 9 5.048 -6.546 -5.134
101 2H5M T 9 2H7 T 9 4.959 -4.959 -4.373
102 3H5M T 9 3H7 T 9 5.320 -5.086 -6.103
103 H6 T 9 H6 T 9 2.589 -5.954 -3.620
104 1H5* G 10 H5'' G 10 -3.840 -8.185 -3.412
105 2H5* G 10 H5' G 10 -4.339 -9.784 -2.812
106 H4* G 10 H4' G 10 -4.996 -9.486 -5.215
107 H3* G 10 H3' G 10 -3.346 -11.641 -4.202
108 H1* G 10 H1' G 10 -3.226 -10.062 -7.619
109 H8 G 10 H8 G 10 -0.278 -9.711 -5.142
110 H1 G 10 H1 G 10 1.226 -7.886 -11.108
111 1H2 G 10 1H2 G 10 -0.561 -8.081 -12.420
112 2H2 G 10 2H2 G 10 -2.099 -8.656 -11.813
113 1H2* G 10 H2' G 10 -1.650 -11.383 -5.570
114 2H2* G 10 H2'' G 10 -2.652 -12.011 -6.816
115 1H5* T 11 H5'' T 11 -5.582 -11.549 -8.401
116 2H5* T 11 H5' T 11 -6.363 -13.160 -8.391
117 H4* T 11 H4' T 11 -5.801 -12.666 -10.753
118 H3* T 11 H3' T 11 -4.720 -14.811 -9.356
119 1H2* T 11 H2' T 11 -2.615 -14.416 -10.047
120 2H2* T 11 H2'' T 11 -3.155 -14.734 -11.758
121 H1* T 11 H1' T 11 -3.309 -12.723 -12.300
122 H3 T 11 H3 T 11 1.040 -11.244 -12.511
123 1H5M T 11 1H7 T 11 1.693 -11.784 -7.999
124 2H5M T 11 2H7 T 11 0.703 -13.227 -7.711
125 3H5M T 11 3H7 T 11 0.049 -11.611 -7.352
126 H6 T 11 H6 T 11 -1.777 -12.805 -8.925
127 1H5* T 12 H5'' T 12 -5.086 -14.535 -13.711
128 2H5* T 12 H5' T 12 -5.567 -15.999 -14.492
129 H4* T 12 H4' T 12 -3.916 -14.789 -15.868
130 H3* T 12 H3' T 12 -3.773 -17.483 -15.033
131 1H2* T 12 H2' T 12 -1.843 -17.280 -14.066
132 2H2* T 12 H2'' T 12 -1.008 -17.378 -15.562
133 H1* T 12 H1' T 12 -0.936 -15.029 -15.833
134 H3 T 12 H3 T 12 2.791 -14.319 -13.353
135 1H5M T 12 1H7 T 12 0.935 -16.185 -9.612
136 2H5M T 12 2H7 T 12 -0.523 -17.010 -10.184
137 3H5M T 12 3H7 T 12 -0.611 -15.313 -9.631
138 H6 T 12 H6 T 12 -1.605 -16.050 -12.417
139 1H5* C 13 H5'' C 13 -1.276 -16.735 -19.181
140 2H5* C 13 H5' C 13 -1.446 -18.236 -20.097
141 H4* C 13 H4' C 13 0.916 -17.397 -20.066
142 H3* C 13 H3' C 13 0.042 -20.005 -19.780
143 H1* C 13 H1' C 13 3.084 -18.279 -17.883
144 1H4 C 13 1H4 C 13 3.348 -17.796 -11.609
145 2H4 C 13 2H4 C 13 1.721 -18.451 -11.418
146 H5 C 13 H5 C 13 0.344 -19.079 -13.295
147 H6 C 13 H6 C 13 0.140 -19.236 -15.616
148 1H2* C 13 H2' C 13 0.593 -20.098 -17.424
149 2H2* C 13 H2'' C 13 2.078 -20.669 -18.078
150 1H5* A 14 H5'' A 14 5.577 -18.651 -19.854
151 2H5* A 14 H5' A 14 5.578 -20.146 -20.798
152 H4* A 14 H4' A 14 7.488 -20.259 -19.305
153 H3* A 14 H3' A 14 5.100 -21.924 -18.767
154 H1* A 14 H1' A 14 8.111 -20.694 -16.594
155 H8 A 14 H8 A 14 4.408 -20.910 -15.563
156 1H6 A 14 1H6 A 14 6.305 -18.851 -10.019
157 2H6 A 14 2H6 A 14 4.925 -19.429 -10.950
158 H2 A 14 H2 A 14 9.818 -18.930 -12.881
159 1H2* A 14 H2' A 14 5.662 -22.247 -16.587
160 2H2* A 14 H2'' A 14 7.288 -22.715 -16.986
161 1H5* G 15 H5'' G 15 9.172 -23.103 -18.112
162 2H5* G 15 H5' G 15 9.662 -24.672 -18.820
163 H4* G 15 H4' G 15 10.824 -24.292 -16.695
164 H3* G 15 H3' G 15 9.078 -26.535 -17.206
165 H1* G 15 H1' G 15 10.118 -24.583 -13.864
166 H8 G 15 H8 G 15 6.312 -24.813 -14.844
167 H1 G 15 H1 G 15 7.498 -23.220 -8.750
168 1H2 G 15 1H2 G 15 9.685 -23.174 -8.371
169 2H2 G 15 2H2 G 15 10.856 -23.536 -9.622
170 H3T G 15 H3T G 15 11.277 -26.593 -17.443
171 1H2* G 15 H2' G 15 8.152 -26.563 -14.857
172 2H2* G 15 H2'' G 15 9.819 -26.818 -14.387
173 1H5* C 16 H5'' C 16 8.654 -22.528 -0.078
174 2H5* C 16 H5' C 16 9.366 -20.955 0.373
175 H4* C 16 H4' C 16 10.734 -22.027 -1.433
176 H3* C 16 H3' C 16 9.472 -19.433 -1.547
177 H1* C 16 H1' C 16 10.329 -22.254 -4.431
178 1H4 C 16 1H4 C 16 5.213 -22.750 -8.203
179 2H4 C 16 2H4 C 16 4.124 -22.348 -6.875
180 H5 C 16 H5 C 16 4.906 -21.781 -4.670
181 H6 C 16 H6 C 16 6.927 -21.477 -3.256
182 H5T C 16 H5T C 16 7.256 -21.309 -1.478
183 1H2* C 16 H2' C 16 8.745 -19.702 -3.874
184 2H2* C 16 H2'' C 16 10.496 -19.976 -4.402
185 1H5* T 17 H5'' T 17 13.071 -19.880 -4.455
186 2H5* T 17 H5' T 17 14.098 -18.512 -3.969
187 H4* T 17 H4' T 17 14.133 -18.812 -6.493
188 H3* T 17 H3' T 17 13.652 -16.441 -5.070
189 1H2* T 17 H2' T 17 11.497 -16.230 -5.799
190 2H2* T 17 H2'' T 17 12.290 -15.524 -7.251
191 H1* T 17 H1' T 17 12.180 -17.661 -8.467
192 H3 T 17 H3 T 17 8.024 -18.288 -10.018
193 1H5M T 17 1H7 T 17 7.177 -16.530 -5.152
194 2H5M T 17 2H7 T 17 7.369 -18.253 -4.770
195 3H5M T 17 3H7 T 17 6.057 -17.722 -5.843
196 H6 T 17 H6 T 17 9.732 -17.407 -5.613
197 1H5* G 18 H5'' G 18 13.964 -17.433 -10.665
198 2H5* G 18 H5' G 18 14.865 -15.933 -10.658
199 H4* G 18 H4' G 18 13.407 -15.986 -12.425
200 H3* G 18 H3' G 18 13.184 -14.010 -10.323
201 H1* G 18 H1' G 18 10.526 -15.228 -12.819
202 H8 G 18 H8 G 18 9.267 -15.317 -8.988
203 H1 G 18 H1 G 18 4.949 -17.104 -13.318
204 1H2 G 18 1H2 G 18 5.831 -17.145 -15.357
205 2H2 G 18 2H2 G 18 7.503 -16.729 -15.673
206 1H2* G 18 H2' G 18 11.039 -14.042 -10.085
207 2H2* G 18 H2'' G 18 10.911 -13.202 -11.607
208 1H5* A 19 H5'' A 19 12.777 -13.097 -15.068
209 2H5* A 19 H5' A 19 13.291 -11.401 -15.201
210 H4* A 19 H4' A 19 11.467 -12.056 -17.040
211 H3* A 19 H3' A 19 11.494 -9.752 -15.261
212 H1* A 19 H1' A 19 8.599 -11.876 -16.557
213 H8 A 19 H8 A 19 9.734 -11.868 -12.948
214 1H6 A 19 1H6 A 19 4.161 -14.045 -11.270
215 2H6 A 19 2H6 A 19 5.747 -13.578 -10.691
216 H2 A 19 H2 A 19 4.183 -13.401 -15.699
217 1H2* A 19 H2' A 19 9.550 -10.088 -14.418
218 2H2* A 19 H2'' A 19 8.939 -9.756 -16.091
219 1H5* A 20 H5'' A 20 9.030 -9.550 -19.084
220 2H5* A 20 H5' A 20 8.813 -7.909 -19.729
221 H4* A 20 H4' A 20 6.684 -9.295 -19.674
222 H3* A 20 H3' A 20 7.000 -6.547 -18.587
223 H1* A 20 H1' A 20 4.605 -9.417 -17.529
224 H8 A 20 H8 A 20 7.334 -8.006 -14.973
225 1H6 A 20 1H6 A 20 3.631 -10.272 -10.610
226 2H6 A 20 2H6 A 20 5.126 -9.444 -10.970
227 H2 A 20 H2 A 20 1.724 -11.052 -14.686
228 1H2* A 20 H2' A 20 5.980 -6.886 -16.813
229 2H2* A 20 H2'' A 20 4.471 -7.114 -17.705
230 1H5* C 21 H5'' C 21 2.733 -7.651 -19.980
231 2H5* C 21 H5' C 21 2.063 -6.176 -20.710
232 H4* C 21 H4' C 21 0.424 -7.186 -19.194
233 H3* C 21 H3' C 21 1.407 -4.495 -19.090
234 H1* C 21 H1' C 21 0.018 -6.906 -16.273
235 1H4 C 21 1H4 C 21 3.038 -7.091 -10.719
236 2H4 C 21 2H4 C 21 4.524 -6.423 -11.386
237 H5 C 21 H5 C 21 4.751 -5.849 -13.676
238 H6 C 21 H6 C 21 3.699 -5.757 -15.869
239 1H2* C 21 H2' C 21 1.915 -4.560 -16.734
240 2H2* C 21 H2'' C 21 0.107 -4.643 -16.575
241 1H5* A 22 H5'' A 22 -3.192 -5.779 -17.102
242 2H5* A 22 H5' A 22 -3.850 -4.205 -17.653
243 H4* A 22 H4' A 22 -4.958 -5.148 -15.522
244 H3* A 22 H3' A 22 -4.259 -2.500 -16.224
245 H1* A 22 H1' A 22 -4.095 -4.183 -12.876
246 H8 A 22 H8 A 22 -0.881 -3.126 -14.620
247 1H6 A 22 1H6 A 22 2.250 -4.337 -9.303
248 2H6 A 22 2H6 A 22 2.405 -3.772 -10.950
249 H2 A 22 H2 A 22 -2.133 -5.260 -8.738
250 1H2* A 22 H2' A 22 -2.662 -2.309 -14.758
251 2H2* A 22 H2'' A 22 -3.960 -1.917 -13.603
252 1H5* A 23 H5'' A 23 -6.925 -3.937 -11.952
253 2H5* A 23 H5' A 23 -7.981 -2.566 -12.310
254 H4* A 23 H4' A 23 -7.839 -2.818 -9.767
255 H3* A 23 H3' A 23 -7.317 -0.484 -11.246
256 H1* A 23 H1' A 23 -5.612 -1.741 -8.072
257 H8 A 23 H8 A 23 -3.819 -1.592 -11.466
258 1H6 A 23 1H6 A 23 1.585 -2.238 -8.401
259 2H6 A 23 2H6 A 23 0.848 -2.003 -9.969
260 H2 A 23 H2 A 23 -1.831 -2.454 -5.454
261 1H2* A 23 H2' A 23 -5.204 -0.273 -10.565
262 2H2* A 23 H2'' A 23 -5.835 0.140 -8.914
263 1H5* T 24 H5'' T 24 -7.683 -0.173 -6.542
264 2H5* T 24 H5' T 24 -8.558 1.318 -6.202
265 H4* T 24 H4' T 24 -6.872 1.033 -4.623
266 H3* T 24 H3' T 24 -7.028 3.403 -6.266
267 1H2* T 24 H2' T 24 -4.604 3.452 -6.893
268 2H2* T 24 H2'' T 24 -4.372 3.679 -5.142
269 H1* T 24 H1' T 24 -3.627 1.568 -4.748
270 H3 T 24 H3 T 24 0.141 1.297 -7.062
271 1H5M T 24 1H7 T 24 -3.691 2.911 -10.144
272 2H5M T 24 2H7 T 24 -3.491 1.230 -10.768
273 3H5M T 24 3H7 T 24 -2.172 2.436 -11.015
274 H6 T 24 H6 T 24 -4.385 1.962 -8.411
275 1H5* C 25 H5'' C 25 -5.032 3.852 -2.146
276 2H5* C 25 H5' C 25 -5.752 5.353 -1.467
277 H4* C 25 H4' C 25 -3.426 4.976 -0.722
278 H3* C 25 H3' C 25 -4.343 7.373 -1.804
279 H1* C 25 H1' C 25 -0.802 5.870 -2.442
280 1H4 C 25 1H4 C 25 0.519 4.779 -8.575
281 2H4 C 25 2H4 C 25 -1.196 4.746 -8.995
282 H5 C 25 H5 C 25 -2.921 5.067 -7.397
283 H6 C 25 H6 C 25 -3.459 5.501 -5.003
284 1H2* C 25 H2' C 25 -3.158 7.227 -3.753
285 2H2* C 25 H2'' C 25 -1.831 7.952 -2.812
286 1H5* A 26 H5'' A 26 0.770 6.943 -0.156
287 2H5* A 26 H5' A 26 0.350 8.340 0.833
288 H4* A 26 H4' A 26 2.664 8.523 0.078
289 H3* A 26 H3' A 26 0.626 10.459 -0.537
290 H1* A 26 H1' A 26 3.826 9.603 -2.650
291 H8 A 26 H8 A 26 0.220 9.372 -4.203
292 1H6 A 26 1H6 A 26 3.094 8.322 -9.586
293 2H6 A 26 2H6 A 26 1.555 8.587 -8.799
294 H2 A 26 H2 A 26 6.212 8.469 -6.354
295 1H2* A 26 H2' A 26 1.012 10.634 -2.681
296 2H2* A 26 H2'' A 26 2.532 11.470 -2.321
297 1H5* C 27 H5'' C 27 4.914 10.177 -0.670
298 2H5* C 27 H5' C 27 5.610 11.439 0.370
299 H4* C 27 H4' C 27 7.314 10.671 -1.181
300 H3* C 27 H3' C 27 6.351 13.375 -1.071
301 H1* C 27 H1' C 27 7.599 11.482 -4.311
302 1H4 C 27 1H4 C 27 3.112 12.406 -8.828
303 2H4 C 27 2H4 C 27 1.890 12.703 -7.595
304 H5 C 27 H5 C 27 2.337 12.671 -5.237
305 H6 C 27 H6 C 27 4.070 12.347 -3.528
306 1H2* C 27 H2' C 27 5.933 13.701 -3.215
307 2H2* C 27 H2'' C 27 7.685 13.563 -3.524
308 1H5* C 28 H5'' C 28 10.442 13.558 -3.286
309 2H5* C 28 H5' C 28 11.297 14.784 -2.315
310 H4* C 28 H4' C 28 11.645 15.209 -4.706
311 H3* C 28 H3' C 28 10.570 17.140 -2.847
312 H1* C 28 H1' C 28 9.979 16.511 -6.845
313 1H4 C 28 1H4 C 28 3.962 16.323 -8.886
314 2H4 C 28 2H4 C 28 3.357 15.932 -7.276
315 H5 C 28 H5 C 28 4.748 15.705 -5.398
316 H6 C 28 H6 C 28 7.013 15.776 -4.534
317 1H2* C 28 H2' C 28 8.601 17.436 -4.238
318 2H2* C 28 H2'' C 28 9.676 18.381 -5.300
319 1H5* C 29 H5'' C 29 12.261 18.548 -7.110
320 2H5* C 29 H5' C 29 13.313 19.854 -6.465
321 H4* C 29 H4' C 29 12.625 20.603 -8.628
322 H3* C 29 H3' C 29 11.543 21.897 -6.270
323 H1* C 29 H1' C 29 9.873 21.428 -9.804
324 1H4 C 29 1H4 C 29 3.975 19.063 -9.025
325 2H4 C 29 2H4 C 29 4.272 18.749 -7.313
326 H5 C 29 H5 C 29 6.374 19.232 -6.209
327 H6 C 29 H6 C 29 8.630 20.121 -6.512
328 1H2* C 29 H2' C 29 9.446 22.100 -6.921
329 2H2* C 29 H2'' C 29 9.958 23.135 -8.268
330 1H5* C 30 H5'' C 30 11.878 24.599 -10.239
331 2H5* C 30 H5' C 30 12.246 26.232 -9.641
332 H4* C 30 H4' C 30 10.560 26.307 -11.463
333 H3* C 30 H3' C 30 10.034 27.221 -8.698
334 H1* C 30 H1' C 30 7.537 25.843 -11.417
335 1H4 C 30 1H4 C 30 3.546 22.236 -7.991
336 2H4 C 30 2H4 C 30 4.642 22.205 -6.620
337 H5 C 30 H5 C 30 6.792 23.342 -6.612
338 H6 C 30 H6 C 30 8.312 24.730 -7.914
339 H3T C 30 H3T C 30 9.607 28.441 -11.242
340 1H2* C 30 H2' C 30 7.873 26.936 -8.702
341 2H2* C 30 H2'' C 30 7.665 27.797 -10.253
Start of MODEL 10
1 1H5* G 1 H5'' G 1 -2.551 26.980 -10.697
2 2H5* G 1 H5' G 1 -3.666 26.077 -11.648
3 H4* G 1 H4' G 1 -1.354 26.053 -12.750
4 H3* G 1 H3' G 1 -2.599 23.496 -11.871
5 H1* G 1 H1' G 1 1.275 24.634 -12.183
6 H8 G 1 H8 G 1 -0.266 22.770 -9.044
7 H1 G 1 H1 G 1 6.053 23.761 -8.947
8 1H2 G 1 1H2 G 1 6.701 24.883 -10.741
9 2H2 G 1 2H2 G 1 5.578 25.400 -11.985
10 H5T G 1 H5T G 1 -3.036 24.224 -10.257
11 1H2* G 1 H2' G 1 -0.711 22.567 -11.201
12 2H2* G 1 H2'' G 1 -0.134 22.579 -12.829
13 1H5* G 2 H5'' G 2 -0.004 24.131 -15.304
14 2H5* G 2 H5' G 2 -0.208 23.161 -16.778
15 H4* G 2 H4' G 2 2.198 23.626 -16.211
16 H3* G 2 H3' G 2 1.018 21.056 -16.792
17 H1* G 2 H1' G 2 3.989 21.890 -14.387
18 H8 G 2 H8 G 2 0.631 20.587 -12.763
19 H1 G 2 H1 G 2 5.979 19.631 -9.354
20 1H2 G 2 1H2 G 2 7.722 20.363 -10.472
21 2H2 G 2 2H2 G 2 7.589 21.091 -12.060
22 1H2* G 2 H2' G 2 1.736 19.979 -15.013
23 2H2* G 2 H2'' G 2 3.386 20.045 -15.706
24 1H5* G 3 H5'' G 3 6.219 20.611 -17.767
25 2H5* G 3 H5' G 3 5.794 19.709 -19.218
26 H4* G 3 H4' G 3 7.542 18.492 -17.921
27 H3* G 3 H3' G 3 4.978 17.370 -18.637
28 H1* G 3 H1' G 3 7.188 16.544 -15.602
29 H8 G 3 H8 G 3 3.606 17.648 -14.952
30 H1 G 3 H1 G 3 6.856 16.076 -9.665
31 1H2 G 3 1H2 G 3 8.977 15.663 -10.190
32 2H2 G 3 2H2 G 3 9.575 15.779 -11.846
33 1H2* G 3 H2' G 3 4.393 16.800 -16.602
34 2H2* G 3 H2'' G 3 5.562 15.442 -16.816
35 1H5* G 4 H5'' G 4 8.587 14.713 -17.455
36 2H5* G 4 H5' G 4 8.663 13.352 -18.590
37 H4* G 4 H4' G 4 9.442 12.693 -16.328
38 H3* G 4 H3' G 4 7.265 11.396 -17.777
39 H1* G 4 H1' G 4 8.053 11.721 -14.018
40 H8 G 4 H8 G 4 4.541 13.194 -15.127
41 H1 G 4 H1 G 4 5.117 11.990 -8.881
42 1H2 G 4 1H2 G 4 7.122 11.156 -8.425
43 2H2 G 4 2H2 G 4 8.330 10.893 -9.665
44 1H2* G 4 H2' G 4 5.902 11.117 -15.941
45 2H2* G 4 H2'' G 4 7.112 10.090 -15.254
46 1H5* T 5 H5'' T 5 10.116 9.943 -14.533
47 2H5* T 5 H5' T 5 10.871 8.530 -15.308
48 H4* T 5 H4' T 5 11.043 8.488 -12.800
49 H3* T 5 H3' T 5 10.425 6.396 -14.470
50 1H2* T 5 H2' T 5 8.097 6.288 -13.787
51 2H2* T 5 H2'' T 5 8.852 5.382 -12.410
52 H1* T 5 H1' T 5 8.906 7.136 -11.002
53 H3 T 5 H3 T 5 4.628 7.857 -9.634
54 1H5M T 5 1H7 T 5 4.252 7.717 -14.861
55 2H5M T 5 2H7 T 5 4.817 9.392 -14.717
56 3H5M T 5 3H7 T 5 3.263 8.918 -13.990
57 H6 T 5 H6 T 5 6.875 8.019 -13.887
58 1H5* G 6 H5'' G 6 10.611 6.647 -9.792
59 2H5* G 6 H5' G 6 11.893 5.427 -9.497
60 H4* G 6 H4' G 6 10.626 5.757 -7.324
61 H3* G 6 H3' G 6 11.007 3.362 -8.632
62 H1* G 6 H1' G 6 8.084 4.439 -6.663
63 H8 G 6 H8 G 6 7.145 4.038 -10.422
64 H1 G 6 H1 G 6 1.986 4.767 -6.738
65 1H2 G 6 1H2 G 6 2.657 5.141 -4.587
66 2H2 G 6 2H2 G 6 4.351 5.197 -4.147
67 1H2* G 6 H2' G 6 8.792 3.198 -9.249
68 2H2* G 6 H2'' G 6 8.689 2.478 -7.602
69 1H5* A 7 H5'' A 7 9.262 3.716 -4.164
70 2H5* A 7 H5' A 7 10.357 2.492 -3.451
71 H4* A 7 H4' A 7 8.203 2.541 -2.103
72 H3* A 7 H3' A 7 9.240 0.266 -3.304
73 H1* A 7 H1' A 7 5.591 1.180 -2.950
74 H8 A 7 H8 A 7 7.337 1.195 -6.366
75 1H6 A 7 1H6 A 7 1.669 1.396 -8.928
76 2H6 A 7 2H6 A 7 3.382 1.309 -9.259
77 H2 A 7 H2 A 7 1.245 1.520 -4.435
78 1H2* A 7 H2' A 7 7.694 -0.043 -4.673
79 2H2* A 7 H2'' A 7 6.710 -0.705 -3.320
80 1H5* T 8 H5'' T 8 5.596 0.151 -0.496
81 2H5* T 8 H5' T 8 5.957 -1.119 0.652
82 H4* T 8 H4' T 8 3.585 -1.227 0.191
83 H3* T 8 H3' T 8 5.351 -3.357 -0.345
84 1H2* T 8 H2' T 8 4.995 -3.405 -2.544
85 2H2* T 8 H2'' T 8 3.460 -4.212 -2.308
86 H1* T 8 H1' T 8 2.118 -2.463 -2.083
87 H3 T 8 H3 T 8 1.171 -2.151 -6.549
88 1H5M T 8 1H7 T 8 5.815 -2.781 -7.352
89 2H5M T 8 2H7 T 8 6.300 -2.961 -5.614
90 3H5M T 8 3H7 T 8 6.278 -1.326 -6.386
91 H6 T 8 H6 T 8 5.176 -2.209 -3.923
92 1H5* T 9 H5'' T 9 0.666 -3.635 -0.325
93 2H5* T 9 H5' T 9 0.290 -5.161 0.502
94 H4* T 9 H4' T 9 -1.387 -4.691 -1.264
95 H3* T 9 H3' T 9 0.028 -7.069 -0.860
96 1H2* T 9 H2' T 9 1.291 -6.975 -2.724
97 2H2* T 9 H2'' T 9 -0.015 -7.538 -3.646
98 H1* T 9 H1' T 9 -1.030 -5.720 -4.124
99 H3 T 9 H3 T 9 1.104 -4.711 -8.046
100 1H5M T 9 1H7 T 9 5.280 -5.174 -6.094
101 2H5M T 9 2H7 T 9 4.895 -6.364 -4.836
102 3H5M T 9 3H7 T 9 4.925 -4.643 -4.440
103 H6 T 9 H6 T 9 2.496 -5.658 -3.572
104 1H5* G 10 H5'' G 10 -3.988 -7.513 -3.534
105 2H5* G 10 H5' G 10 -4.635 -9.079 -2.982
106 H4* G 10 H4' G 10 -5.091 -8.731 -5.411
107 H3* G 10 H3' G 10 -3.598 -10.972 -4.314
108 H1* G 10 H1' G 10 -3.226 -9.381 -7.702
109 H8 G 10 H8 G 10 -0.396 -9.221 -5.095
110 H1 G 10 H1 G 10 1.490 -7.494 -10.975
111 1H2 G 10 1H2 G 10 -0.251 -7.558 -12.349
112 2H2 G 10 2H2 G 10 -1.852 -8.022 -11.811
113 1H2* G 10 H2' G 10 -1.826 -10.792 -5.590
114 2H2* G 10 H2'' G 10 -2.780 -11.356 -6.900
115 1H5* T 11 H5'' T 11 -5.565 -10.857 -8.660
116 2H5* T 11 H5' T 11 -6.435 -12.421 -8.611
117 H4* T 11 H4' T 11 -5.747 -12.050 -10.977
118 H3* T 11 H3' T 11 -4.944 -14.221 -9.483
119 1H2* T 11 H2' T 11 -2.743 -13.983 -10.016
120 2H2* T 11 H2'' T 11 -3.176 -14.333 -11.756
121 H1* T 11 H1' T 11 -3.162 -12.348 -12.385
122 H3 T 11 H3 T 11 1.251 -11.079 -12.288
123 1H5M T 11 1H7 T 11 1.527 -11.550 -7.710
124 2H5M T 11 2H7 T 11 0.348 -12.850 -7.438
125 3H5M T 11 3H7 T 11 -0.136 -11.152 -7.227
126 H6 T 11 H6 T 11 -1.913 -12.373 -8.897
127 1H5* T 12 H5'' T 12 -4.992 -14.041 -13.861
128 2H5* T 12 H5' T 12 -5.443 -15.504 -14.668
129 H4* T 12 H4' T 12 -3.613 -14.347 -15.876
130 H3* T 12 H3' T 12 -3.691 -17.055 -15.037
131 1H2* T 12 H2' T 12 -1.808 -16.964 -13.953
132 2H2* T 12 H2'' T 12 -0.880 -17.090 -15.379
133 H1* T 12 H1' T 12 -0.697 -14.735 -15.627
134 H3 T 12 H3 T 12 2.890 -14.292 -12.887
135 1H5M T 12 1H7 T 12 0.649 -15.887 -9.260
136 2H5M T 12 2H7 T 12 -0.636 -16.876 -9.973
137 3H5M T 12 3H7 T 12 -0.971 -15.187 -9.497
138 H6 T 12 H6 T 12 -1.659 -15.750 -12.281
139 1H5* C 13 H5'' C 13 -0.831 -16.231 -18.881
140 2H5* C 13 H5' C 13 -1.000 -17.659 -19.907
141 H4* C 13 H4' C 13 1.387 -16.941 -19.676
142 H3* C 13 H3' C 13 0.387 -19.512 -19.572
143 H1* C 13 H1' C 13 3.344 -17.996 -17.393
144 1H4 C 13 1H4 C 13 3.163 -17.654 -11.111
145 2H4 C 13 2H4 C 13 1.517 -18.293 -11.062
146 H5 C 13 H5 C 13 0.282 -18.852 -13.046
147 H6 C 13 H6 C 13 0.241 -18.952 -15.368
148 1H2* C 13 H2' C 13 0.746 -19.727 -17.201
149 2H2* C 13 H2'' C 13 2.248 -20.359 -17.736
150 1H5* A 14 H5'' A 14 5.782 -18.125 -19.337
151 2H5* A 14 H5' A 14 5.999 -19.635 -20.214
152 H4* A 14 H4' A 14 7.773 -19.442 -18.561
153 H3* A 14 H3' A 14 5.591 -21.434 -18.252
154 H1* A 14 H1' A 14 8.246 -19.877 -15.855
155 H8 A 14 H8 A 14 4.561 -20.640 -15.103
156 1H6 A 14 1H6 A 14 5.959 -19.068 -9.243
157 2H6 A 14 2H6 A 14 4.698 -19.677 -10.313
158 H2 A 14 H2 A 14 9.579 -18.419 -11.898
159 1H2* A 14 H2' A 14 6.065 -21.781 -16.049
160 2H2* A 14 H2'' A 14 7.764 -21.982 -16.353
161 1H5* G 15 H5'' G 15 9.809 -21.985 -17.382
162 2H5* G 15 H5' G 15 10.549 -23.410 -18.173
163 H4* G 15 H4' G 15 11.640 -22.948 -16.024
164 H3* G 15 H3' G 15 10.322 -25.431 -16.683
165 H1* G 15 H1' G 15 11.072 -23.531 -13.244
166 H8 G 15 H8 G 15 7.316 -24.166 -14.199
167 H1 G 15 H1 G 15 8.416 -23.234 -7.961
168 1H2 G 15 1H2 G 15 10.588 -22.970 -7.593
169 2H2 G 15 2H2 G 15 11.773 -23.024 -8.885
170 H3T G 15 H3T G 15 12.732 -24.737 -15.365
171 1H2* G 15 H2' G 15 9.373 -25.692 -14.350
172 2H2* G 15 H2'' G 15 11.064 -25.776 -13.875
173 1H5* C 16 H5'' C 16 8.786 -23.820 0.500
174 2H5* C 16 H5' C 16 9.330 -22.220 1.076
175 H4* C 16 H4' C 16 10.763 -23.037 -0.839
176 H3* C 16 H3' C 16 9.387 -20.526 -0.600
177 H1* C 16 H1' C 16 10.330 -22.888 -3.832
178 1H4 C 16 1H4 C 16 5.228 -23.347 -7.610
179 2H4 C 16 2H4 C 16 4.123 -23.232 -6.235
180 H5 C 16 H5 C 16 4.889 -22.885 -3.970
181 H6 C 16 H6 C 16 6.910 -22.573 -2.544
182 H5T C 16 H5T C 16 7.657 -21.291 -0.079
183 1H2* C 16 H2' C 16 8.537 -20.580 -2.906
184 2H2* C 16 H2'' C 16 10.280 -20.620 -3.553
185 1H5* T 17 H5'' T 17 12.929 -20.288 -3.786
186 2H5* T 17 H5' T 17 13.797 -18.901 -3.070
187 H4* T 17 H4' T 17 13.777 -18.719 -5.600
188 H3* T 17 H3' T 17 12.932 -16.751 -3.734
189 1H2* T 17 H2' T 17 10.805 -16.648 -4.542
190 2H2* T 17 H2'' T 17 11.551 -15.648 -5.821
191 H1* T 17 H1' T 17 11.721 -17.577 -7.355
192 H3 T 17 H3 T 17 7.655 -18.457 -9.068
193 1H5M T 17 1H7 T 17 5.645 -18.737 -4.876
194 2H5M T 17 2H7 T 17 6.776 -17.798 -3.876
195 3H5M T 17 3H7 T 17 6.959 -19.560 -4.010
196 H6 T 17 H6 T 17 9.276 -18.139 -4.550
197 1H5* G 18 H5'' G 18 13.849 -17.110 -9.092
198 2H5* G 18 H5' G 18 14.550 -15.522 -9.030
199 H4* G 18 H4' G 18 13.354 -15.931 -10.998
200 H3* G 18 H3' G 18 12.900 -13.707 -9.221
201 H1* G 18 H1' G 18 10.516 -15.222 -11.760
202 H8 G 18 H8 G 18 8.929 -15.373 -8.050
203 H1 G 18 H1 G 18 4.910 -16.927 -12.725
204 1H2 G 18 1H2 G 18 5.942 -16.879 -14.721
205 2H2 G 18 2H2 G 18 7.633 -16.459 -14.891
206 1H2* G 18 H2' G 18 10.750 -13.956 -9.019
207 2H2* G 18 H2'' G 18 10.641 -13.132 -10.562
208 1H5* A 19 H5'' A 19 12.899 -13.190 -14.090
209 2H5* A 19 H5' A 19 13.440 -11.505 -14.290
210 H4* A 19 H4' A 19 11.753 -12.282 -16.225
211 H3* A 19 H3' A 19 11.667 -9.850 -14.622
212 H1* A 19 H1' A 19 8.914 -12.046 -16.015
213 H8 A 19 H8 A 19 9.696 -11.993 -12.327
214 1H6 A 19 1H6 A 19 3.890 -13.874 -11.100
215 2H6 A 19 2H6 A 19 5.432 -13.474 -10.377
216 H2 A 19 H2 A 19 4.323 -13.327 -15.503
217 1H2* A 19 H2' A 19 9.695 -10.232 -13.805
218 2H2* A 19 H2'' A 19 9.119 -9.909 -15.493
219 1H5* A 20 H5'' A 20 9.414 -9.705 -18.634
220 2H5* A 20 H5' A 20 9.277 -8.073 -19.324
221 H4* A 20 H4' A 20 7.113 -9.427 -19.330
222 H3* A 20 H3' A 20 7.396 -6.626 -18.362
223 H1* A 20 H1' A 20 4.949 -9.423 -17.276
224 H8 A 20 H8 A 20 7.610 -7.963 -14.652
225 1H6 A 20 1H6 A 20 3.658 -10.002 -10.386
226 2H6 A 20 2H6 A 20 5.185 -9.209 -10.691
227 H2 A 20 H2 A 20 1.941 -10.915 -14.505
228 1H2* A 20 H2' A 20 6.361 -6.904 -16.587
229 2H2* A 20 H2'' A 20 4.864 -7.116 -17.503
230 1H5* C 21 H5'' C 21 3.091 -7.635 -19.923
231 2H5* C 21 H5' C 21 2.498 -6.119 -20.633
232 H4* C 21 H4' C 21 0.812 -7.145 -19.141
233 H3* C 21 H3' C 21 1.767 -4.448 -19.104
234 H1* C 21 H1' C 21 0.329 -6.783 -16.276
235 1H4 C 21 1H4 C 21 3.143 -6.835 -10.600
236 2H4 C 21 2H4 C 21 4.669 -6.241 -11.247
237 H5 C 21 H5 C 21 4.992 -5.751 -13.541
238 H6 C 21 H6 C 21 4.022 -5.693 -15.777
239 1H2* C 21 H2' C 21 2.285 -4.484 -16.740
240 2H2* C 21 H2'' C 21 0.475 -4.491 -16.595
241 1H5* A 22 H5'' A 22 -2.948 -5.747 -17.251
242 2H5* A 22 H5' A 22 -3.615 -4.184 -17.804
243 H4* A 22 H4' A 22 -4.747 -5.204 -15.704
244 H3* A 22 H3' A 22 -4.186 -2.512 -16.351
245 H1* A 22 H1' A 22 -4.025 -4.223 -13.026
246 H8 A 22 H8 A 22 -0.785 -3.121 -14.685
247 1H6 A 22 1H6 A 22 2.271 -4.165 -9.292
248 2H6 A 22 2H6 A 22 2.457 -3.634 -10.947
249 H2 A 22 H2 A 22 -2.095 -5.136 -8.776
250 1H2* A 22 H2' A 22 -2.586 -2.310 -14.867
251 2H2* A 22 H2'' A 22 -3.924 -1.931 -13.737
252 1H5* A 23 H5'' A 23 -6.884 -4.045 -12.109
253 2H5* A 23 H5' A 23 -7.970 -2.711 -12.515
254 H4* A 23 H4' A 23 -7.887 -2.914 -9.968
255 H3* A 23 H3' A 23 -7.448 -0.597 -11.505
256 H1* A 23 H1' A 23 -5.784 -1.682 -8.282
257 H8 A 23 H8 A 23 -3.859 -1.614 -11.596
258 1H6 A 23 1H6 A 23 1.444 -2.130 -8.334
259 2H6 A 23 2H6 A 23 0.781 -1.941 -9.939
260 H2 A 23 H2 A 23 -2.026 -2.308 -5.505
261 1H2* A 23 H2' A 23 -5.335 -0.312 -10.848
262 2H2* A 23 H2'' A 23 -6.017 0.151 -9.225
263 1H5* T 24 H5'' T 24 -7.988 -0.266 -6.712
264 2H5* T 24 H5' T 24 -8.821 1.268 -6.443
265 H4* T 24 H4' T 24 -7.295 0.896 -4.750
266 H3* T 24 H3' T 24 -7.199 3.315 -6.303
267 1H2* T 24 H2' T 24 -4.774 3.146 -6.865
268 2H2* T 24 H2'' T 24 -4.577 3.447 -5.130
269 H1* T 24 H1' T 24 -4.028 1.290 -4.556
270 H3 T 24 H3 T 24 -0.030 0.922 -6.502
271 1H5M T 24 1H7 T 24 -3.241 0.775 -10.549
272 2H5M T 24 2H7 T 24 -1.943 2.038 -10.653
273 3H5M T 24 3H7 T 24 -3.562 2.463 -9.965
274 H6 T 24 H6 T 24 -4.395 1.599 -8.282
275 1H5* C 25 H5'' C 25 -5.015 3.505 -2.198
276 2H5* C 25 H5' C 25 -5.651 5.023 -1.475
277 H4* C 25 H4' C 25 -3.309 4.554 -0.830
278 H3* C 25 H3' C 25 -4.172 6.999 -1.878
279 H1* C 25 H1' C 25 -0.692 5.332 -2.623
280 1H4 C 25 1H4 C 25 0.295 4.390 -8.844
281 2H4 C 25 2H4 C 25 -1.444 4.382 -9.163
282 H5 C 25 H5 C 25 -3.069 4.705 -7.458
283 H6 C 25 H6 C 25 -3.459 5.117 -5.057
284 1H2* C 25 H2' C 25 -2.992 6.862 -3.827
285 2H2* C 25 H2'' C 25 -1.626 7.496 -2.869
286 1H5* A 26 H5'' A 26 0.818 6.014 -0.171
287 2H5* A 26 H5' A 26 0.591 7.432 0.846
288 H4* A 26 H4' A 26 2.929 7.239 0.035
289 H3* A 26 H3' A 26 1.190 9.531 -0.317
290 H1* A 26 H1' A 26 4.148 8.377 -2.649
291 H8 A 26 H8 A 26 0.429 8.724 -3.941
292 1H6 A 26 1H6 A 26 2.877 8.247 -9.621
293 2H6 A 26 2H6 A 26 1.413 8.504 -8.703
294 H2 A 26 H2 A 26 6.185 7.728 -6.635
295 1H2* A 26 H2' A 26 1.585 9.896 -2.436
296 2H2* A 26 H2'' A 26 3.248 10.377 -2.001
297 1H5* C 27 H5'' C 27 5.312 8.997 -0.448
298 2H5* C 27 H5' C 27 6.389 10.071 0.470
299 H4* C 27 H4' C 27 7.556 9.087 -1.494
300 H3* C 27 H3' C 27 7.164 11.963 -1.039
301 H1* C 27 H1' C 27 7.536 9.992 -4.439
302 1H4 C 27 1H4 C 27 3.191 12.734 -8.273
303 2H4 C 27 2H4 C 27 2.146 13.103 -6.898
304 H5 C 27 H5 C 27 2.743 12.598 -4.613
305 H6 C 27 H6 C 27 4.471 11.633 -3.167
306 1H2* C 27 H2' C 27 6.887 12.575 -3.123
307 2H2* C 27 H2'' C 27 8.447 11.825 -3.588
308 1H5* C 28 H5'' C 28 10.790 11.292 -3.783
309 2H5* C 28 H5' C 28 12.082 12.081 -2.857
310 H4* C 28 H4' C 28 12.261 12.710 -5.232
311 H3* C 28 H3' C 28 12.059 14.577 -3.049
312 H1* C 28 H1' C 28 10.840 14.746 -6.943
313 1H4 C 28 1H4 C 28 4.816 16.407 -8.099
314 2H4 C 28 2H4 C 28 4.306 15.958 -6.471
315 H5 C 28 H5 C 28 5.787 15.116 -4.838
316 H6 C 28 H6 C 28 8.065 14.491 -4.312
317 1H2* C 28 H2' C 28 10.100 15.581 -4.060
318 2H2* C 28 H2'' C 28 11.253 16.381 -5.158
319 1H5* C 29 H5'' C 29 13.520 16.224 -7.289
320 2H5* C 29 H5' C 29 14.948 17.160 -6.704
321 H4* C 29 H4' C 29 14.085 18.434 -8.543
322 H3* C 29 H3' C 29 13.544 19.424 -5.830
323 H1* C 29 H1' C 29 11.579 19.893 -9.198
324 1H4 C 29 1H4 C 29 5.356 18.937 -7.832
325 2H4 C 29 2H4 C 29 5.785 18.259 -6.262
326 H5 C 29 H5 C 29 8.040 18.033 -5.452
327 H6 C 29 H6 C 29 10.402 18.410 -5.973
328 1H2* C 29 H2' C 29 11.575 20.255 -6.232
329 2H2* C 29 H2'' C 29 12.222 21.337 -7.494
330 1H5* C 30 H5'' C 30 14.352 22.514 -9.267
331 2H5* C 30 H5' C 30 15.144 23.942 -8.564
332 H4* C 30 H4' C 30 13.415 24.580 -10.251
333 H3* C 30 H3' C 30 13.317 25.362 -7.396
334 H1* C 30 H1' C 30 10.352 24.845 -9.949
335 1H4 C 30 1H4 C 30 6.008 22.034 -6.215
336 2H4 C 30 2H4 C 30 7.228 21.546 -5.053
337 H5 C 30 H5 C 30 9.580 22.089 -5.298
338 H6 C 30 H6 C 30 11.232 23.209 -6.712
339 H3T C 30 H3T C 30 13.315 27.446 -8.451
340 1H2* C 30 H2' C 30 11.166 25.648 -7.239
341 2H2* C 30 H2'' C 30 11.075 26.636 -8.724
Start of MODEL 11
1 1H5* G 1 H5'' G 1 -4.558 26.570 -13.146
2 2H5* G 1 H5' G 1 -5.611 25.477 -13.965
3 H4* G 1 H4' G 1 -3.243 25.317 -14.934
4 H3* G 1 H3' G 1 -4.488 22.921 -13.656
5 H1* G 1 H1' G 1 -0.617 24.091 -13.977
6 H8 G 1 H8 G 1 -2.386 22.739 -10.693
7 H1 G 1 H1 G 1 3.929 23.758 -10.324
8 1H2 G 1 1H2 G 1 4.688 24.583 -12.234
9 2H2 G 1 2H2 G 1 3.648 24.887 -13.607
10 H5T G 1 H5T G 1 -5.829 25.260 -11.742
11 1H2* G 1 H2' G 1 -2.612 22.127 -12.824
12 2H2* G 1 H2'' G 1 -1.968 21.944 -14.411
13 1H5* G 2 H5'' G 2 -1.769 23.125 -17.029
14 2H5* G 2 H5' G 2 -1.887 21.955 -18.357
15 H4* G 2 H4' G 2 0.471 22.554 -17.812
16 H3* G 2 H3' G 2 -0.613 19.883 -17.962
17 H1* G 2 H1' G 2 2.312 21.206 -15.832
18 H8 G 2 H8 G 2 -0.886 20.220 -13.731
19 H1 G 2 H1 G 2 4.702 20.006 -10.587
20 1H2 G 2 1H2 G 2 6.357 20.531 -11.966
21 2H2 G 2 2H2 G 2 6.088 20.931 -13.648
22 1H2* G 2 H2' G 2 0.036 19.234 -15.938
23 2H2* G 2 H2'' G 2 1.695 19.101 -16.607
24 1H5* G 3 H5'' G 3 4.603 19.762 -18.512
25 2H5* G 3 H5' G 3 4.413 18.663 -19.878
26 H4* G 3 H4' G 3 6.251 17.903 -18.382
27 H3* G 3 H3' G 3 3.969 16.283 -19.109
28 H1* G 3 H1' G 3 6.087 16.155 -15.914
29 H8 G 3 H8 G 3 2.337 16.724 -15.501
30 H1 G 3 H1 G 3 5.563 16.003 -10.008
31 1H2 G 3 1H2 G 3 7.733 15.870 -10.439
32 2H2 G 3 2H2 G 3 8.373 15.959 -12.081
33 1H2* G 3 H2' G 3 3.345 15.816 -17.055
34 2H2* G 3 H2'' G 3 4.738 14.663 -17.073
35 1H5* G 4 H5'' G 4 7.943 14.468 -17.512
36 2H5* G 4 H5' G 4 8.323 13.015 -18.455
37 H4* G 4 H4' G 4 9.094 12.827 -16.101
38 H3* G 4 H3' G 4 7.324 10.938 -17.453
39 H1* G 4 H1' G 4 7.762 11.856 -13.726
40 H8 G 4 H8 G 4 4.116 12.434 -15.172
41 H1 G 4 H1 G 4 4.477 12.205 -8.795
42 1H2 G 4 1H2 G 4 6.563 11.847 -8.140
43 2H2 G 4 2H2 G 4 7.883 11.662 -9.275
44 1H2* G 4 H2' G 4 5.917 10.590 -15.654
45 2H2* G 4 H2'' G 4 7.270 9.936 -14.806
46 1H5* T 5 H5'' T 5 10.352 10.355 -14.237
47 2H5* T 5 H5' T 5 11.382 8.956 -14.622
48 H4* T 5 H4' T 5 11.327 9.571 -12.189
49 H3* T 5 H3' T 5 11.339 7.061 -13.307
50 1H2* T 5 H2' T 5 9.043 6.643 -12.841
51 2H2* T 5 H2'' T 5 9.753 6.102 -11.251
52 H1* T 5 H1' T 5 9.453 8.127 -10.234
53 H3 T 5 H3 T 5 4.985 7.957 -9.123
54 1H5M T 5 1H7 T 5 3.730 7.951 -13.640
55 2H5M T 5 2H7 T 5 5.128 7.052 -14.311
56 3H5M T 5 3H7 T 5 5.133 8.824 -14.319
57 H6 T 5 H6 T 5 7.440 8.013 -13.264
58 1H5* G 6 H5'' G 6 10.459 8.305 -8.207
59 2H5* G 6 H5' G 6 11.981 7.391 -7.868
60 H4* G 6 H4' G 6 10.510 7.043 -5.905
61 H3* G 6 H3' G 6 11.104 4.926 -7.709
62 H1* G 6 H1' G 6 8.098 5.571 -5.552
63 H8 G 6 H8 G 6 7.399 5.436 -9.374
64 H1 G 6 H1 G 6 2.014 5.456 -5.968
65 1H2 G 6 1H2 G 6 2.535 5.651 -3.754
66 2H2 G 6 2H2 G 6 4.190 5.769 -3.199
67 1H2* G 6 H2' G 6 8.965 4.413 -8.120
68 2H2* G 6 H2'' G 6 8.943 3.737 -6.469
69 1H5* A 7 H5'' A 7 9.508 4.311 -3.545
70 2H5* A 7 H5' A 7 10.575 3.073 -2.809
71 H4* A 7 H4' A 7 8.316 2.770 -1.796
72 H3* A 7 H3' A 7 9.435 0.781 -3.489
73 H1* A 7 H1' A 7 5.836 1.651 -2.818
74 H8 A 7 H8 A 7 7.390 2.148 -6.283
75 1H6 A 7 1H6 A 7 1.558 2.256 -8.495
76 2H6 A 7 2H6 A 7 3.245 2.318 -8.935
77 H2 A 7 H2 A 7 1.403 1.861 -4.018
78 1H2* A 7 H2' A 7 7.803 0.659 -4.787
79 2H2* A 7 H2'' A 7 6.856 -0.186 -3.512
80 1H5* T 8 H5'' T 8 5.926 0.029 -0.739
81 2H5* T 8 H5' T 8 6.452 -1.286 0.266
82 H4* T 8 H4' T 8 4.055 -1.531 -0.091
83 H3* T 8 H3' T 8 5.922 -3.500 -0.847
84 1H2* T 8 H2' T 8 5.558 -3.327 -3.051
85 2H2* T 8 H2'' T 8 4.131 -4.290 -2.910
86 H1* T 8 H1' T 8 2.619 -2.690 -2.477
87 H3 T 8 H3 T 8 1.656 -1.993 -6.918
88 1H5M T 8 1H7 T 8 6.809 -2.407 -6.040
89 2H5M T 8 2H7 T 8 6.634 -0.675 -6.552
90 3H5M T 8 3H7 T 8 6.303 -1.995 -7.750
91 H6 T 8 H6 T 8 5.647 -1.938 -4.264
92 1H5* T 9 H5'' T 9 1.302 -4.054 -0.700
93 2H5* T 9 H5' T 9 0.974 -5.668 -0.048
94 H4* T 9 H4' T 9 -0.748 -5.015 -1.709
95 H3* T 9 H3' T 9 0.737 -7.413 -1.647
96 1H2* T 9 H2' T 9 1.775 -7.194 -3.641
97 2H2* T 9 H2'' T 9 0.383 -7.562 -4.476
98 H1* T 9 H1' T 9 -0.560 -5.666 -4.682
99 H3 T 9 H3 T 9 1.575 -4.497 -8.565
100 1H5M T 9 1H7 T 9 5.371 -4.648 -4.897
101 2H5M T 9 2H7 T 9 5.748 -4.965 -6.599
102 3H5M T 9 3H7 T 9 5.379 -6.314 -5.497
103 H6 T 9 H6 T 9 2.926 -5.671 -4.129
104 1H5* G 10 H5'' G 10 -3.661 -7.855 -3.460
105 2H5* G 10 H5' G 10 -4.279 -9.409 -2.847
106 H4* G 10 H4' G 10 -5.002 -9.014 -5.236
107 H3* G 10 H3' G 10 -3.554 -11.327 -4.263
108 H1* G 10 H1' G 10 -3.364 -9.766 -7.686
109 H8 G 10 H8 G 10 -0.334 -9.685 -5.252
110 H1 G 10 H1 G 10 1.284 -8.124 -11.261
111 1H2 G 10 1H2 G 10 -0.517 -8.115 -12.568
112 2H2 G 10 2H2 G 10 -2.103 -8.498 -11.935
113 1H2* G 10 H2' G 10 -1.883 -11.234 -5.677
114 2H2* G 10 H2'' G 10 -2.988 -11.752 -6.894
115 1H5* T 11 H5'' T 11 -5.792 -11.350 -8.388
116 2H5* T 11 H5' T 11 -6.741 -12.863 -8.255
117 H4* T 11 H4' T 11 -6.087 -12.655 -10.639
118 H3* T 11 H3' T 11 -5.207 -14.749 -9.036
119 1H2* T 11 H2' T 11 -3.081 -14.531 -9.684
120 2H2* T 11 H2'' T 11 -3.577 -15.002 -11.397
121 H1* T 11 H1' T 11 -3.649 -13.058 -12.129
122 H3 T 11 H3 T 11 0.785 -11.801 -12.489
123 1H5M T 11 1H7 T 11 -0.219 -11.726 -7.297
124 2H5M T 11 2H7 T 11 1.423 -11.943 -7.939
125 3H5M T 11 3H7 T 11 0.433 -13.364 -7.548
126 H6 T 11 H6 T 11 -2.078 -12.913 -8.769
127 1H5* T 12 H5'' T 12 -5.380 -14.979 -13.444
128 2H5* T 12 H5' T 12 -5.919 -16.517 -14.032
129 H4* T 12 H4' T 12 -4.085 -15.648 -15.438
130 H3* T 12 H3' T 12 -4.181 -18.174 -14.164
131 1H2* T 12 H2' T 12 -2.290 -17.948 -13.141
132 2H2* T 12 H2'' T 12 -1.368 -18.296 -14.538
133 H1* T 12 H1' T 12 -1.167 -16.020 -15.159
134 H3 T 12 H3 T 12 2.451 -15.114 -12.578
135 1H5M T 12 1H7 T 12 0.294 -16.437 -8.752
136 2H5M T 12 2H7 T 12 -1.227 -17.178 -9.294
137 3H5M T 12 3H7 T 12 -1.156 -15.424 -8.947
138 H6 T 12 H6 T 12 -2.079 -16.516 -11.705
139 1H5* C 13 H5'' C 13 -1.540 -18.342 -18.234
140 2H5* C 13 H5' C 13 -1.720 -19.968 -18.904
141 H4* C 13 H4' C 13 0.663 -19.203 -18.868
142 H3* C 13 H3' C 13 -0.303 -21.712 -18.186
143 H1* C 13 H1' C 13 2.687 -19.735 -16.488
144 1H4 C 13 1H4 C 13 2.766 -18.244 -10.365
145 2H4 C 13 2H4 C 13 1.106 -18.807 -10.142
146 H5 C 13 H5 C 13 -0.229 -19.688 -11.954
147 H6 C 13 H6 C 13 -0.359 -20.217 -14.221
148 1H2* C 13 H2' C 13 0.117 -21.398 -15.836
149 2H2* C 13 H2'' C 13 1.622 -22.114 -16.280
150 1H5* A 14 H5'' A 14 5.279 -20.497 -18.224
151 2H5* A 14 H5' A 14 5.287 -22.147 -18.856
152 H4* A 14 H4' A 14 7.093 -21.997 -17.270
153 H3* A 14 H3' A 14 4.627 -23.465 -16.519
154 H1* A 14 H1' A 14 7.601 -21.901 -14.522
155 H8 A 14 H8 A 14 3.866 -21.787 -13.611
156 1H6 A 14 1H6 A 14 5.681 -18.851 -8.460
157 2H6 A 14 2H6 A 14 4.319 -19.534 -9.338
158 H2 A 14 H2 A 14 9.291 -19.584 -11.126
159 1H2* A 14 H2' A 14 5.090 -23.346 -14.302
160 2H2* A 14 H2'' A 14 6.717 -23.932 -14.515
161 1H5* G 15 H5'' G 15 8.677 -24.581 -15.460
162 2H5* G 15 H5' G 15 9.129 -26.278 -15.812
163 H4* G 15 H4' G 15 10.240 -25.488 -13.761
164 H3* G 15 H3' G 15 8.456 -27.758 -13.882
165 H1* G 15 H1' G 15 9.408 -25.155 -10.978
166 H8 G 15 H8 G 15 5.627 -25.521 -12.041
167 H1 G 15 H1 G 15 6.657 -22.509 -6.483
168 1H2 G 15 1H2 G 15 8.830 -22.415 -6.051
169 2H2 G 15 2H2 G 15 10.031 -23.092 -7.128
170 H3T G 15 H3T G 15 10.907 -27.365 -13.730
171 1H2* G 15 H2' G 15 7.425 -27.269 -11.613
172 2H2* G 15 H2'' G 15 9.061 -27.446 -11.034
173 1H5* C 16 H5'' C 16 7.797 -20.601 2.085
174 2H5* C 16 H5' C 16 8.482 -18.960 2.236
175 H4* C 16 H4' C 16 9.909 -20.432 0.735
176 H3* C 16 H3' C 16 8.836 -17.831 0.177
177 H1* C 16 H1' C 16 9.583 -21.097 -2.211
178 1H4 C 16 1H4 C 16 4.521 -22.094 -5.977
179 2H4 C 16 2H4 C 16 3.424 -21.456 -4.746
180 H5 C 16 H5 C 16 4.178 -20.548 -2.652
181 H6 C 16 H6 C 16 6.182 -20.051 -1.264
182 H5T C 16 H5T C 16 6.229 -18.994 1.843
183 1H2* C 16 H2' C 16 8.051 -18.460 -2.066
184 2H2* C 16 H2'' C 16 9.809 -18.847 -2.568
185 1H5* T 17 H5'' T 17 12.496 -18.942 -2.673
186 2H5* T 17 H5' T 17 13.494 -17.479 -2.450
187 H4* T 17 H4' T 17 13.490 -18.198 -4.883
188 H3* T 17 H3' T 17 12.952 -15.633 -3.846
189 1H2* T 17 H2' T 17 10.807 -15.594 -4.585
190 2H2* T 17 H2'' T 17 11.569 -15.119 -6.146
191 H1* T 17 H1' T 17 11.533 -17.446 -6.979
192 H3 T 17 H3 T 17 7.413 -18.423 -8.468
193 1H5M T 17 1H7 T 17 5.361 -16.987 -4.550
194 2H5M T 17 2H7 T 17 6.561 -15.827 -3.939
195 3H5M T 17 3H7 T 17 6.580 -17.510 -3.367
196 H6 T 17 H6 T 17 9.042 -16.712 -4.276
197 1H5* G 18 H5'' G 18 13.405 -17.629 -9.069
198 2H5* G 18 H5' G 18 14.255 -16.140 -9.389
199 H4* G 18 H4' G 18 12.866 -16.726 -11.124
200 H3* G 18 H3' G 18 12.640 -14.232 -9.681
201 H1* G 18 H1' G 18 10.029 -16.003 -11.804
202 H8 G 18 H8 G 18 8.638 -15.405 -8.057
203 H1 G 18 H1 G 18 4.409 -17.783 -12.184
204 1H2 G 18 1H2 G 18 5.367 -18.146 -14.185
205 2H2 G 18 2H2 G 18 7.054 -17.796 -14.489
206 1H2* G 18 H2' G 18 10.498 -14.303 -9.342
207 2H2* G 18 H2'' G 18 10.339 -13.749 -10.993
208 1H5* A 19 H5'' A 19 12.206 -14.418 -14.676
209 2H5* A 19 H5' A 19 12.855 -12.792 -15.020
210 H4* A 19 H4' A 19 11.014 -13.505 -16.790
211 H3* A 19 H3' A 19 11.108 -11.041 -15.222
212 H1* A 19 H1' A 19 8.191 -13.169 -16.458
213 H8 A 19 H8 A 19 9.190 -12.930 -12.834
214 1H6 A 19 1H6 A 19 3.457 -14.665 -11.147
215 2H6 A 19 2H6 A 19 5.043 -14.240 -10.557
216 H2 A 19 H2 A 19 3.626 -14.380 -15.614
217 1H2* A 19 H2' A 19 9.110 -11.272 -14.392
218 2H2* A 19 H2'' A 19 8.528 -11.019 -16.091
219 1H5* A 20 H5'' A 20 8.759 -10.866 -19.164
220 2H5* A 20 H5' A 20 8.692 -9.243 -19.881
221 H4* A 20 H4' A 20 6.455 -10.468 -19.802
222 H3* A 20 H3' A 20 6.916 -7.680 -18.854
223 H1* A 20 H1' A 20 4.339 -10.351 -17.678
224 H8 A 20 H8 A 20 7.166 -8.960 -15.212
225 1H6 A 20 1H6 A 20 3.354 -10.741 -10.727
226 2H6 A 20 2H6 A 20 4.888 -10.026 -11.138
227 H2 A 20 H2 A 20 1.386 -11.658 -14.755
228 1H2* A 20 H2' A 20 5.839 -7.865 -17.086
229 2H2* A 20 H2'' A 20 4.339 -8.048 -17.975
230 1H5* C 21 H5'' C 21 2.476 -8.272 -20.241
231 2H5* C 21 H5' C 21 2.106 -6.704 -20.985
232 H4* C 21 H4' C 21 0.332 -7.312 -19.406
233 H3* C 21 H3' C 21 1.967 -4.911 -19.268
234 H1* C 21 H1' C 21 -0.035 -7.038 -16.518
235 1H4 C 21 1H4 C 21 2.964 -7.601 -10.957
236 2H4 C 21 2H4 C 21 4.510 -7.156 -11.661
237 H5 C 21 H5 C 21 4.796 -6.651 -13.939
238 H6 C 21 H6 C 21 3.767 -6.435 -16.133
239 1H2* C 21 H2' C 21 2.120 -4.940 -16.854
240 2H2* C 21 H2'' C 21 0.288 -4.858 -16.911
241 1H5* A 22 H5'' A 22 -2.604 -5.245 -17.782
242 2H5* A 22 H5' A 22 -3.222 -3.630 -18.270
243 H4* A 22 H4' A 22 -4.371 -4.686 -16.196
244 H3* A 22 H3' A 22 -3.691 -2.013 -16.782
245 H1* A 22 H1' A 22 -3.513 -3.773 -13.490
246 H8 A 22 H8 A 22 -0.226 -2.788 -15.218
247 1H6 A 22 1H6 A 22 2.765 -4.027 -9.831
248 2H6 A 22 2H6 A 22 2.977 -3.475 -11.477
249 H2 A 22 H2 A 22 -1.616 -4.865 -9.327
250 1H2* A 22 H2' A 22 -2.016 -1.978 -15.367
251 2H2* A 22 H2'' A 22 -3.304 -1.508 -14.175
252 1H5* A 23 H5'' A 23 -6.331 -3.604 -12.647
253 2H5* A 23 H5' A 23 -7.443 -2.261 -12.948
254 H4* A 23 H4' A 23 -7.283 -2.740 -10.396
255 H3* A 23 H3' A 23 -7.105 -0.269 -11.708
256 H1* A 23 H1' A 23 -5.164 -1.449 -8.694
257 H8 A 23 H8 A 23 -3.409 -0.957 -12.087
258 1H6 A 23 1H6 A 23 2.039 -1.462 -9.094
259 2H6 A 23 2H6 A 23 1.286 -1.164 -10.642
260 H2 A 23 H2 A 23 -1.308 -2.112 -6.151
261 1H2* A 23 H2' A 23 -4.974 0.116 -11.163
262 2H2* A 23 H2'' A 23 -5.571 0.421 -9.469
263 1H5* T 24 H5'' T 24 -7.344 -0.414 -6.865
264 2H5* T 24 H5' T 24 -8.296 1.004 -6.419
265 H4* T 24 H4' T 24 -6.585 0.660 -4.871
266 H3* T 24 H3' T 24 -6.932 3.157 -6.264
267 1H2* T 24 H2' T 24 -4.533 3.435 -6.931
268 2H2* T 24 H2'' T 24 -4.270 3.517 -5.168
269 H1* T 24 H1' T 24 -3.382 1.423 -4.953
270 H3 T 24 H3 T 24 0.407 1.708 -7.234
271 1H5M T 24 1H7 T 24 -1.974 3.027 -11.092
272 2H5M T 24 2H7 T 24 -3.536 3.275 -10.189
273 3H5M T 24 3H7 T 24 -3.196 1.683 -10.983
274 H6 T 24 H6 T 24 -4.157 2.111 -8.576
275 1H5* C 25 H5'' C 25 -4.930 3.459 -2.099
276 2H5* C 25 H5' C 25 -5.721 4.878 -1.329
277 H4* C 25 H4' C 25 -3.353 4.565 -0.644
278 H3* C 25 H3' C 25 -4.391 6.996 -1.541
279 H1* C 25 H1' C 25 -0.820 5.662 -2.321
280 1H4 C 25 1H4 C 25 0.471 5.160 -8.524
281 2H4 C 25 2H4 C 25 -1.247 5.071 -8.940
282 H5 C 25 H5 C 25 -2.937 5.168 -7.316
283 H6 C 25 H6 C 25 -3.494 5.372 -4.873
284 1H2* C 25 H2' C 25 -3.241 7.013 -3.516
285 2H2* C 25 H2'' C 25 -1.924 7.734 -2.560
286 1H5* A 26 H5'' A 26 0.759 6.442 0.083
287 2H5* A 26 H5' A 26 0.359 7.816 1.123
288 H4* A 26 H4' A 26 2.682 7.988 0.358
289 H3* A 26 H3' A 26 0.631 9.969 -0.225
290 H1* A 26 H1' A 26 3.869 9.096 -2.298
291 H8 A 26 H8 A 26 0.241 8.893 -3.765
292 1H6 A 26 1H6 A 26 3.004 8.204 -9.287
293 2H6 A 26 2H6 A 26 1.474 8.350 -8.455
294 H2 A 26 H2 A 26 6.193 8.416 -6.131
295 1H2* A 26 H2' A 26 1.139 10.321 -2.319
296 2H2* A 26 H2'' A 26 2.703 11.008 -1.791
297 1H5* C 27 H5'' C 27 4.819 10.229 0.057
298 2H5* C 27 H5' C 27 5.665 11.596 0.810
299 H4* C 27 H4' C 27 6.989 10.603 -1.072
300 H3* C 27 H3' C 27 6.031 13.407 -0.973
301 H1* C 27 H1' C 27 6.876 11.069 -4.022
302 1H4 C 27 1H4 C 27 2.440 12.675 -8.370
303 2H4 C 27 2H4 C 27 1.269 13.029 -7.097
304 H5 C 27 H5 C 27 1.792 12.896 -4.739
305 H6 C 27 H6 C 27 3.547 12.396 -3.109
306 1H2* C 27 H2' C 27 5.871 13.716 -3.127
307 2H2* C 27 H2'' C 27 7.541 13.127 -3.415
308 1H5* C 28 H5'' C 28 10.094 13.010 -3.113
309 2H5* C 28 H5' C 28 11.107 14.303 -2.442
310 H4* C 28 H4' C 28 11.289 14.215 -4.921
311 H3* C 28 H3' C 28 10.627 16.581 -3.347
312 H1* C 28 H1' C 28 9.626 15.379 -7.142
313 1H4 C 28 1H4 C 28 3.473 16.184 -8.517
314 2H4 C 28 2H4 C 28 2.992 15.785 -6.866
315 H5 C 28 H5 C 28 4.548 15.323 -5.133
316 H6 C 28 H6 C 28 6.878 15.121 -4.529
317 1H2* C 28 H2' C 28 8.745 17.053 -4.724
318 2H2* C 28 H2'' C 28 9.903 17.489 -6.005
319 1H5* C 29 H5'' C 29 12.131 17.058 -7.729
320 2H5* C 29 H5' C 29 13.552 18.110 -7.382
321 H4* C 29 H4' C 29 12.764 18.777 -9.551
322 H3* C 29 H3' C 29 12.435 20.551 -7.288
323 H1* C 29 H1' C 29 10.178 20.196 -10.492
324 1H4 C 29 1H4 C 29 4.051 19.529 -8.723
325 2H4 C 29 2H4 C 29 4.519 19.196 -7.053
326 H5 C 29 H5 C 29 6.817 19.153 -6.294
327 H6 C 29 H6 C 29 9.155 19.420 -6.975
328 1H2* C 29 H2' C 29 10.351 21.121 -7.637
329 2H2* C 29 H2'' C 29 10.845 21.971 -9.130
330 1H5* C 30 H5'' C 30 12.736 22.740 -11.567
331 2H5* C 30 H5' C 30 13.569 24.267 -11.213
332 H4* C 30 H4' C 30 11.671 24.622 -12.762
333 H3* C 30 H3' C 30 11.856 25.852 -10.087
334 H1* C 30 H1' C 30 8.754 24.984 -12.338
335 1H4 C 30 1H4 C 30 4.259 22.760 -8.360
336 2H4 C 30 2H4 C 30 5.453 22.395 -7.130
337 H5 C 30 H5 C 30 7.825 22.838 -7.395
338 H6 C 30 H6 C 30 9.536 23.725 -8.908
339 H3T C 30 H3T C 30 11.576 27.735 -11.445
340 1H2* C 30 H2' C 30 9.724 25.926 -9.674
341 2H2* C 30 H2'' C 30 9.397 26.877 -11.153
Start of MODEL 12
1 1H5* G 1 H5'' G 1 -4.558 26.570 -13.146
2 2H5* G 1 H5' G 1 -5.611 25.477 -13.965
3 H4* G 1 H4' G 1 -3.243 25.317 -14.934
4 H3* G 1 H3' G 1 -4.488 22.921 -13.656
5 H1* G 1 H1' G 1 -0.617 24.091 -13.977
6 H8 G 1 H8 G 1 -2.386 22.739 -10.693
7 H1 G 1 H1 G 1 3.929 23.758 -10.324
8 1H2 G 1 1H2 G 1 4.688 24.583 -12.234
9 2H2 G 1 2H2 G 1 3.648 24.887 -13.607
10 H5T G 1 H5T G 1 -5.829 25.260 -11.742
11 1H2* G 1 H2' G 1 -2.612 22.127 -12.824
12 2H2* G 1 H2'' G 1 -1.968 21.944 -14.411
13 1H5* G 2 H5'' G 2 -1.769 23.125 -17.029
14 2H5* G 2 H5' G 2 -1.887 21.955 -18.357
15 H4* G 2 H4' G 2 0.471 22.554 -17.812
16 H3* G 2 H3' G 2 -0.613 19.883 -17.962
17 H1* G 2 H1' G 2 2.312 21.206 -15.832
18 H8 G 2 H8 G 2 -0.886 20.220 -13.731
19 H1 G 2 H1 G 2 4.702 20.006 -10.587
20 1H2 G 2 1H2 G 2 6.357 20.531 -11.966
21 2H2 G 2 2H2 G 2 6.088 20.931 -13.648
22 1H2* G 2 H2' G 2 0.036 19.234 -15.938
23 2H2* G 2 H2'' G 2 1.695 19.101 -16.607
24 1H5* G 3 H5'' G 3 4.603 19.762 -18.512
25 2H5* G 3 H5' G 3 4.413 18.663 -19.878
26 H4* G 3 H4' G 3 6.251 17.903 -18.382
27 H3* G 3 H3' G 3 3.969 16.283 -19.109
28 H1* G 3 H1' G 3 6.087 16.155 -15.914
29 H8 G 3 H8 G 3 2.337 16.724 -15.501
30 H1 G 3 H1 G 3 5.563 16.003 -10.008
31 1H2 G 3 1H2 G 3 7.733 15.870 -10.439
32 2H2 G 3 2H2 G 3 8.373 15.959 -12.081
33 1H2* G 3 H2' G 3 3.345 15.816 -17.055
34 2H2* G 3 H2'' G 3 4.738 14.663 -17.073
35 1H5* G 4 H5'' G 4 7.943 14.468 -17.512
36 2H5* G 4 H5' G 4 8.323 13.015 -18.455
37 H4* G 4 H4' G 4 9.094 12.827 -16.101
38 H3* G 4 H3' G 4 7.324 10.938 -17.453
39 H1* G 4 H1' G 4 7.762 11.856 -13.726
40 H8 G 4 H8 G 4 4.116 12.434 -15.172
41 H1 G 4 H1 G 4 4.477 12.205 -8.795
42 1H2 G 4 1H2 G 4 6.563 11.847 -8.140
43 2H2 G 4 2H2 G 4 7.883 11.662 -9.275
44 1H2* G 4 H2' G 4 5.917 10.590 -15.654
45 2H2* G 4 H2'' G 4 7.270 9.936 -14.806
46 1H5* T 5 H5'' T 5 10.352 10.355 -14.237
47 2H5* T 5 H5' T 5 11.382 8.956 -14.622
48 H4* T 5 H4' T 5 11.327 9.571 -12.189
49 H3* T 5 H3' T 5 11.339 7.061 -13.307
50 1H2* T 5 H2' T 5 9.043 6.643 -12.841
51 2H2* T 5 H2'' T 5 9.753 6.102 -11.251
52 H1* T 5 H1' T 5 9.453 8.127 -10.234
53 H3 T 5 H3 T 5 4.985 7.957 -9.123
54 1H5M T 5 1H7 T 5 3.730 7.951 -13.640
55 2H5M T 5 2H7 T 5 5.128 7.052 -14.311
56 3H5M T 5 3H7 T 5 5.133 8.824 -14.319
57 H6 T 5 H6 T 5 7.440 8.013 -13.264
58 1H5* G 6 H5'' G 6 10.459 8.305 -8.207
59 2H5* G 6 H5' G 6 11.981 7.391 -7.868
60 H4* G 6 H4' G 6 10.510 7.043 -5.905
61 H3* G 6 H3' G 6 11.104 4.926 -7.709
62 H1* G 6 H1' G 6 8.098 5.571 -5.552
63 H8 G 6 H8 G 6 7.399 5.436 -9.374
64 H1 G 6 H1 G 6 2.014 5.456 -5.968
65 1H2 G 6 1H2 G 6 2.535 5.651 -3.754
66 2H2 G 6 2H2 G 6 4.190 5.769 -3.199
67 1H2* G 6 H2' G 6 8.965 4.413 -8.120
68 2H2* G 6 H2'' G 6 8.943 3.737 -6.469
69 1H5* A 7 H5'' A 7 9.508 4.311 -3.545
70 2H5* A 7 H5' A 7 10.575 3.073 -2.809
71 H4* A 7 H4' A 7 8.316 2.770 -1.796
72 H3* A 7 H3' A 7 9.435 0.781 -3.489
73 H1* A 7 H1' A 7 5.836 1.651 -2.818
74 H8 A 7 H8 A 7 7.390 2.148 -6.283
75 1H6 A 7 1H6 A 7 1.558 2.256 -8.495
76 2H6 A 7 2H6 A 7 3.245 2.318 -8.935
77 H2 A 7 H2 A 7 1.403 1.861 -4.018
78 1H2* A 7 H2' A 7 7.803 0.659 -4.787
79 2H2* A 7 H2'' A 7 6.856 -0.186 -3.512
80 1H5* T 8 H5'' T 8 5.926 0.029 -0.739
81 2H5* T 8 H5' T 8 6.452 -1.286 0.266
82 H4* T 8 H4' T 8 4.055 -1.531 -0.091
83 H3* T 8 H3' T 8 5.922 -3.500 -0.847
84 1H2* T 8 H2' T 8 5.558 -3.327 -3.051
85 2H2* T 8 H2'' T 8 4.131 -4.290 -2.910
86 H1* T 8 H1' T 8 2.619 -2.690 -2.477
87 H3 T 8 H3 T 8 1.656 -1.993 -6.918
88 1H5M T 8 1H7 T 8 6.809 -2.407 -6.040
89 2H5M T 8 2H7 T 8 6.634 -0.675 -6.552
90 3H5M T 8 3H7 T 8 6.303 -1.995 -7.750
91 H6 T 8 H6 T 8 5.647 -1.938 -4.264
92 1H5* T 9 H5'' T 9 1.302 -4.054 -0.700
93 2H5* T 9 H5' T 9 0.974 -5.668 -0.048
94 H4* T 9 H4' T 9 -0.748 -5.015 -1.709
95 H3* T 9 H3' T 9 0.737 -7.413 -1.647
96 1H2* T 9 H2' T 9 1.775 -7.194 -3.641
97 2H2* T 9 H2'' T 9 0.383 -7.562 -4.476
98 H1* T 9 H1' T 9 -0.560 -5.666 -4.682
99 H3 T 9 H3 T 9 1.575 -4.497 -8.565
100 1H5M T 9 1H7 T 9 5.371 -4.648 -4.897
101 2H5M T 9 2H7 T 9 5.748 -4.965 -6.599
102 3H5M T 9 3H7 T 9 5.379 -6.314 -5.497
103 H6 T 9 H6 T 9 2.926 -5.671 -4.129
104 1H5* G 10 H5'' G 10 -3.661 -7.855 -3.460
105 2H5* G 10 H5' G 10 -4.279 -9.409 -2.847
106 H4* G 10 H4' G 10 -5.002 -9.014 -5.236
107 H3* G 10 H3' G 10 -3.554 -11.327 -4.263
108 H1* G 10 H1' G 10 -3.364 -9.766 -7.686
109 H8 G 10 H8 G 10 -0.334 -9.685 -5.252
110 H1 G 10 H1 G 10 1.284 -8.124 -11.261
111 1H2 G 10 1H2 G 10 -0.517 -8.115 -12.568
112 2H2 G 10 2H2 G 10 -2.103 -8.498 -11.935
113 1H2* G 10 H2' G 10 -1.883 -11.234 -5.677
114 2H2* G 10 H2'' G 10 -2.988 -11.752 -6.894
115 1H5* T 11 H5'' T 11 -5.792 -11.350 -8.388
116 2H5* T 11 H5' T 11 -6.741 -12.863 -8.255
117 H4* T 11 H4' T 11 -6.087 -12.655 -10.639
118 H3* T 11 H3' T 11 -5.207 -14.749 -9.036
119 1H2* T 11 H2' T 11 -3.081 -14.531 -9.684
120 2H2* T 11 H2'' T 11 -3.577 -15.002 -11.397
121 H1* T 11 H1' T 11 -3.649 -13.058 -12.129
122 H3 T 11 H3 T 11 0.785 -11.801 -12.489
123 1H5M T 11 1H7 T 11 -0.219 -11.726 -7.297
124 2H5M T 11 2H7 T 11 1.423 -11.943 -7.939
125 3H5M T 11 3H7 T 11 0.433 -13.364 -7.548
126 H6 T 11 H6 T 11 -2.078 -12.913 -8.769
127 1H5* T 12 H5'' T 12 -5.380 -14.979 -13.444
128 2H5* T 12 H5' T 12 -5.919 -16.517 -14.032
129 H4* T 12 H4' T 12 -4.085 -15.648 -15.438
130 H3* T 12 H3' T 12 -4.181 -18.174 -14.164
131 1H2* T 12 H2' T 12 -2.290 -17.948 -13.141
132 2H2* T 12 H2'' T 12 -1.368 -18.296 -14.538
133 H1* T 12 H1' T 12 -1.167 -16.020 -15.159
134 H3 T 12 H3 T 12 2.451 -15.114 -12.578
135 1H5M T 12 1H7 T 12 0.294 -16.437 -8.752
136 2H5M T 12 2H7 T 12 -1.227 -17.178 -9.294
137 3H5M T 12 3H7 T 12 -1.156 -15.424 -8.947
138 H6 T 12 H6 T 12 -2.079 -16.516 -11.705
139 1H5* C 13 H5'' C 13 -1.540 -18.342 -18.234
140 2H5* C 13 H5' C 13 -1.720 -19.968 -18.904
141 H4* C 13 H4' C 13 0.663 -19.203 -18.868
142 H3* C 13 H3' C 13 -0.303 -21.712 -18.186
143 H1* C 13 H1' C 13 2.687 -19.735 -16.488
144 1H4 C 13 1H4 C 13 2.766 -18.244 -10.365
145 2H4 C 13 2H4 C 13 1.106 -18.807 -10.142
146 H5 C 13 H5 C 13 -0.229 -19.688 -11.954
147 H6 C 13 H6 C 13 -0.359 -20.217 -14.221
148 1H2* C 13 H2' C 13 0.117 -21.398 -15.836
149 2H2* C 13 H2'' C 13 1.622 -22.114 -16.280
150 1H5* A 14 H5'' A 14 5.279 -20.497 -18.224
151 2H5* A 14 H5' A 14 5.287 -22.147 -18.856
152 H4* A 14 H4' A 14 7.093 -21.997 -17.270
153 H3* A 14 H3' A 14 4.627 -23.465 -16.519
154 H1* A 14 H1' A 14 7.601 -21.901 -14.522
155 H8 A 14 H8 A 14 3.866 -21.787 -13.611
156 1H6 A 14 1H6 A 14 5.681 -18.851 -8.460
157 2H6 A 14 2H6 A 14 4.319 -19.534 -9.338
158 H2 A 14 H2 A 14 9.291 -19.584 -11.126
159 1H2* A 14 H2' A 14 5.090 -23.346 -14.302
160 2H2* A 14 H2'' A 14 6.717 -23.932 -14.515
161 1H5* G 15 H5'' G 15 8.677 -24.581 -15.460
162 2H5* G 15 H5' G 15 9.129 -26.278 -15.812
163 H4* G 15 H4' G 15 10.240 -25.488 -13.761
164 H3* G 15 H3' G 15 8.456 -27.758 -13.882
165 H1* G 15 H1' G 15 9.408 -25.155 -10.978
166 H8 G 15 H8 G 15 5.627 -25.521 -12.041
167 H1 G 15 H1 G 15 6.657 -22.509 -6.483
168 1H2 G 15 1H2 G 15 8.830 -22.415 -6.051
169 2H2 G 15 2H2 G 15 10.031 -23.092 -7.128
170 H3T G 15 H3T G 15 10.907 -27.365 -13.730
171 1H2* G 15 H2' G 15 7.425 -27.269 -11.613
172 2H2* G 15 H2'' G 15 9.061 -27.446 -11.034
173 1H5* C 16 H5'' C 16 7.797 -20.601 2.085
174 2H5* C 16 H5' C 16 8.482 -18.960 2.236
175 H4* C 16 H4' C 16 9.909 -20.432 0.735
176 H3* C 16 H3' C 16 8.836 -17.831 0.177
177 H1* C 16 H1' C 16 9.583 -21.097 -2.211
178 1H4 C 16 1H4 C 16 4.521 -22.094 -5.977
179 2H4 C 16 2H4 C 16 3.424 -21.456 -4.746
180 H5 C 16 H5 C 16 4.178 -20.548 -2.652
181 H6 C 16 H6 C 16 6.182 -20.051 -1.264
182 H5T C 16 H5T C 16 6.229 -18.994 1.843
183 1H2* C 16 H2' C 16 8.051 -18.460 -2.066
184 2H2* C 16 H2'' C 16 9.809 -18.847 -2.568
185 1H5* T 17 H5'' T 17 12.496 -18.942 -2.673
186 2H5* T 17 H5' T 17 13.494 -17.479 -2.450
187 H4* T 17 H4' T 17 13.490 -18.198 -4.883
188 H3* T 17 H3' T 17 12.952 -15.633 -3.846
189 1H2* T 17 H2' T 17 10.807 -15.594 -4.585
190 2H2* T 17 H2'' T 17 11.569 -15.119 -6.146
191 H1* T 17 H1' T 17 11.533 -17.446 -6.979
192 H3 T 17 H3 T 17 7.413 -18.423 -8.468
193 1H5M T 17 1H7 T 17 5.361 -16.987 -4.550
194 2H5M T 17 2H7 T 17 6.561 -15.827 -3.939
195 3H5M T 17 3H7 T 17 6.580 -17.510 -3.367
196 H6 T 17 H6 T 17 9.042 -16.712 -4.276
197 1H5* G 18 H5'' G 18 13.405 -17.629 -9.069
198 2H5* G 18 H5' G 18 14.255 -16.140 -9.389
199 H4* G 18 H4' G 18 12.866 -16.726 -11.124
200 H3* G 18 H3' G 18 12.640 -14.232 -9.681
201 H1* G 18 H1' G 18 10.029 -16.003 -11.804
202 H8 G 18 H8 G 18 8.638 -15.405 -8.057
203 H1 G 18 H1 G 18 4.409 -17.783 -12.184
204 1H2 G 18 1H2 G 18 5.367 -18.146 -14.185
205 2H2 G 18 2H2 G 18 7.054 -17.796 -14.489
206 1H2* G 18 H2' G 18 10.498 -14.303 -9.342
207 2H2* G 18 H2'' G 18 10.339 -13.749 -10.993
208 1H5* A 19 H5'' A 19 12.206 -14.418 -14.676
209 2H5* A 19 H5' A 19 12.855 -12.792 -15.020
210 H4* A 19 H4' A 19 11.014 -13.505 -16.790
211 H3* A 19 H3' A 19 11.108 -11.041 -15.222
212 H1* A 19 H1' A 19 8.191 -13.169 -16.458
213 H8 A 19 H8 A 19 9.190 -12.930 -12.834
214 1H6 A 19 1H6 A 19 3.457 -14.665 -11.147
215 2H6 A 19 2H6 A 19 5.043 -14.240 -10.557
216 H2 A 19 H2 A 19 3.626 -14.380 -15.614
217 1H2* A 19 H2' A 19 9.110 -11.272 -14.392
218 2H2* A 19 H2'' A 19 8.528 -11.019 -16.091
219 1H5* A 20 H5'' A 20 8.759 -10.866 -19.164
220 2H5* A 20 H5' A 20 8.692 -9.243 -19.881
221 H4* A 20 H4' A 20 6.455 -10.468 -19.802
222 H3* A 20 H3' A 20 6.916 -7.680 -18.854
223 H1* A 20 H1' A 20 4.339 -10.351 -17.678
224 H8 A 20 H8 A 20 7.166 -8.960 -15.212
225 1H6 A 20 1H6 A 20 3.354 -10.741 -10.727
226 2H6 A 20 2H6 A 20 4.888 -10.026 -11.138
227 H2 A 20 H2 A 20 1.386 -11.658 -14.755
228 1H2* A 20 H2' A 20 5.839 -7.865 -17.086
229 2H2* A 20 H2'' A 20 4.339 -8.048 -17.975
230 1H5* C 21 H5'' C 21 2.476 -8.272 -20.241
231 2H5* C 21 H5' C 21 2.106 -6.704 -20.985
232 H4* C 21 H4' C 21 0.332 -7.312 -19.406
233 H3* C 21 H3' C 21 1.967 -4.911 -19.268
234 H1* C 21 H1' C 21 -0.035 -7.038 -16.518
235 1H4 C 21 1H4 C 21 2.964 -7.601 -10.957
236 2H4 C 21 2H4 C 21 4.510 -7.156 -11.661
237 H5 C 21 H5 C 21 4.796 -6.651 -13.939
238 H6 C 21 H6 C 21 3.767 -6.435 -16.133
239 1H2* C 21 H2' C 21 2.120 -4.940 -16.854
240 2H2* C 21 H2'' C 21 0.288 -4.858 -16.911
241 1H5* A 22 H5'' A 22 -2.604 -5.245 -17.782
242 2H5* A 22 H5' A 22 -3.222 -3.630 -18.270
243 H4* A 22 H4' A 22 -4.371 -4.686 -16.196
244 H3* A 22 H3' A 22 -3.691 -2.013 -16.782
245 H1* A 22 H1' A 22 -3.513 -3.773 -13.490
246 H8 A 22 H8 A 22 -0.226 -2.788 -15.218
247 1H6 A 22 1H6 A 22 2.765 -4.027 -9.831
248 2H6 A 22 2H6 A 22 2.977 -3.475 -11.477
249 H2 A 22 H2 A 22 -1.616 -4.865 -9.327
250 1H2* A 22 H2' A 22 -2.016 -1.978 -15.367
251 2H2* A 22 H2'' A 22 -3.304 -1.508 -14.175
252 1H5* A 23 H5'' A 23 -6.331 -3.604 -12.647
253 2H5* A 23 H5' A 23 -7.443 -2.261 -12.948
254 H4* A 23 H4' A 23 -7.283 -2.740 -10.396
255 H3* A 23 H3' A 23 -7.105 -0.269 -11.708
256 H1* A 23 H1' A 23 -5.164 -1.449 -8.694
257 H8 A 23 H8 A 23 -3.409 -0.957 -12.087
258 1H6 A 23 1H6 A 23 2.039 -1.462 -9.094
259 2H6 A 23 2H6 A 23 1.286 -1.164 -10.642
260 H2 A 23 H2 A 23 -1.308 -2.112 -6.151
261 1H2* A 23 H2' A 23 -4.974 0.116 -11.163
262 2H2* A 23 H2'' A 23 -5.571 0.421 -9.469
263 1H5* T 24 H5'' T 24 -7.344 -0.414 -6.865
264 2H5* T 24 H5' T 24 -8.296 1.004 -6.419
265 H4* T 24 H4' T 24 -6.585 0.660 -4.871
266 H3* T 24 H3' T 24 -6.932 3.157 -6.264
267 1H2* T 24 H2' T 24 -4.533 3.435 -6.931
268 2H2* T 24 H2'' T 24 -4.270 3.517 -5.168
269 H1* T 24 H1' T 24 -3.382 1.423 -4.953
270 H3 T 24 H3 T 24 0.407 1.708 -7.234
271 1H5M T 24 1H7 T 24 -1.974 3.027 -11.092
272 2H5M T 24 2H7 T 24 -3.536 3.275 -10.189
273 3H5M T 24 3H7 T 24 -3.196 1.683 -10.983
274 H6 T 24 H6 T 24 -4.157 2.111 -8.576
275 1H5* C 25 H5'' C 25 -4.930 3.459 -2.099
276 2H5* C 25 H5' C 25 -5.721 4.878 -1.329
277 H4* C 25 H4' C 25 -3.353 4.565 -0.644
278 H3* C 25 H3' C 25 -4.391 6.996 -1.541
279 H1* C 25 H1' C 25 -0.820 5.662 -2.321
280 1H4 C 25 1H4 C 25 0.471 5.160 -8.524
281 2H4 C 25 2H4 C 25 -1.247 5.071 -8.940
282 H5 C 25 H5 C 25 -2.937 5.168 -7.316
283 H6 C 25 H6 C 25 -3.494 5.372 -4.873
284 1H2* C 25 H2' C 25 -3.241 7.013 -3.516
285 2H2* C 25 H2'' C 25 -1.924 7.734 -2.560
286 1H5* A 26 H5'' A 26 0.759 6.442 0.083
287 2H5* A 26 H5' A 26 0.359 7.816 1.123
288 H4* A 26 H4' A 26 2.682 7.988 0.358
289 H3* A 26 H3' A 26 0.631 9.969 -0.225
290 H1* A 26 H1' A 26 3.869 9.096 -2.298
291 H8 A 26 H8 A 26 0.241 8.893 -3.765
292 1H6 A 26 1H6 A 26 3.004 8.204 -9.287
293 2H6 A 26 2H6 A 26 1.474 8.350 -8.455
294 H2 A 26 H2 A 26 6.193 8.416 -6.131
295 1H2* A 26 H2' A 26 1.139 10.321 -2.319
296 2H2* A 26 H2'' A 26 2.703 11.008 -1.791
297 1H5* C 27 H5'' C 27 4.819 10.229 0.057
298 2H5* C 27 H5' C 27 5.665 11.596 0.810
299 H4* C 27 H4' C 27 6.989 10.603 -1.072
300 H3* C 27 H3' C 27 6.031 13.407 -0.973
301 H1* C 27 H1' C 27 6.876 11.069 -4.022
302 1H4 C 27 1H4 C 27 2.440 12.675 -8.370
303 2H4 C 27 2H4 C 27 1.269 13.029 -7.097
304 H5 C 27 H5 C 27 1.792 12.896 -4.739
305 H6 C 27 H6 C 27 3.547 12.396 -3.109
306 1H2* C 27 H2' C 27 5.871 13.716 -3.127
307 2H2* C 27 H2'' C 27 7.541 13.127 -3.415
308 1H5* C 28 H5'' C 28 10.094 13.010 -3.113
309 2H5* C 28 H5' C 28 11.107 14.303 -2.442
310 H4* C 28 H4' C 28 11.289 14.215 -4.921
311 H3* C 28 H3' C 28 10.627 16.581 -3.347
312 H1* C 28 H1' C 28 9.626 15.379 -7.142
313 1H4 C 28 1H4 C 28 3.473 16.184 -8.517
314 2H4 C 28 2H4 C 28 2.992 15.785 -6.866
315 H5 C 28 H5 C 28 4.548 15.323 -5.133
316 H6 C 28 H6 C 28 6.878 15.121 -4.529
317 1H2* C 28 H2' C 28 8.745 17.053 -4.724
318 2H2* C 28 H2'' C 28 9.903 17.489 -6.005
319 1H5* C 29 H5'' C 29 12.131 17.058 -7.729
320 2H5* C 29 H5' C 29 13.552 18.110 -7.382
321 H4* C 29 H4' C 29 12.764 18.777 -9.551
322 H3* C 29 H3' C 29 12.435 20.551 -7.288
323 H1* C 29 H1' C 29 10.178 20.196 -10.492
324 1H4 C 29 1H4 C 29 4.051 19.529 -8.723
325 2H4 C 29 2H4 C 29 4.519 19.196 -7.053
326 H5 C 29 H5 C 29 6.817 19.153 -6.294
327 H6 C 29 H6 C 29 9.155 19.420 -6.975
328 1H2* C 29 H2' C 29 10.351 21.121 -7.637
329 2H2* C 29 H2'' C 29 10.845 21.971 -9.130
330 1H5* C 30 H5'' C 30 12.736 22.740 -11.567
331 2H5* C 30 H5' C 30 13.569 24.267 -11.213
332 H4* C 30 H4' C 30 11.671 24.622 -12.762
333 H3* C 30 H3' C 30 11.856 25.852 -10.087
334 H1* C 30 H1' C 30 8.754 24.984 -12.338
335 1H4 C 30 1H4 C 30 4.259 22.760 -8.360
336 2H4 C 30 2H4 C 30 5.453 22.395 -7.130
337 H5 C 30 H5 C 30 7.825 22.838 -7.395
338 H6 C 30 H6 C 30 9.536 23.725 -8.908
339 H3T C 30 H3T C 30 11.576 27.735 -11.445
340 1H2* C 30 H2' C 30 9.724 25.926 -9.674
341 2H2* C 30 H2'' C 30 9.397 26.877 -11.153
Start of MODEL 13
1 1H5* G 1 H5'' G 1 -3.228 26.639 -12.361
2 2H5* G 1 H5' G 1 -4.467 25.590 -12.935
3 H4* G 1 H4' G 1 -2.279 25.115 -14.195
4 H3* G 1 H3' G 1 -3.482 22.973 -12.489
5 H1* G 1 H1' G 1 0.354 23.791 -13.496
6 H8 G 1 H8 G 1 -0.956 22.986 -9.844
7 H1 G 1 H1 G 1 5.395 23.388 -10.562
8 1H2 G 1 1H2 G 1 5.907 23.875 -12.665
9 2H2 G 1 2H2 G 1 4.691 24.103 -13.901
10 H5T G 1 H5T G 1 -4.237 25.671 -10.624
11 1H2* G 1 H2' G 1 -1.568 22.124 -11.857
12 2H2* G 1 H2'' G 1 -1.186 21.718 -13.494
13 1H5* G 2 H5'' G 2 -1.382 22.800 -16.156
14 2H5* G 2 H5' G 2 -1.715 21.607 -17.428
15 H4* G 2 H4' G 2 0.702 22.242 -17.275
16 H3* G 2 H3' G 2 -0.342 19.612 -17.404
17 H1* G 2 H1' G 2 2.811 20.810 -15.479
18 H8 G 2 H8 G 2 -0.237 19.860 -13.148
19 H1 G 2 H1 G 2 5.536 19.596 -10.386
20 1H2 G 2 1H2 G 2 7.112 20.104 -11.875
21 2H2 G 2 2H2 G 2 6.734 20.504 -13.536
22 1H2* G 2 H2' G 2 0.433 18.921 -15.407
23 2H2* G 2 H2'' G 2 2.007 18.709 -16.243
24 1H5* G 3 H5'' G 3 4.824 19.617 -18.329
25 2H5* G 3 H5' G 3 4.558 18.568 -19.719
26 H4* G 3 H4' G 3 6.508 17.765 -18.382
27 H3* G 3 H3' G 3 4.184 16.157 -18.987
28 H1* G 3 H1' G 3 6.520 15.941 -15.957
29 H8 G 3 H8 G 3 2.820 16.515 -15.283
30 H1 G 3 H1 G 3 6.319 15.871 -9.962
31 1H2 G 3 1H2 G 3 8.466 15.738 -10.476
32 2H2 G 3 2H2 G 3 9.037 15.808 -12.146
33 1H2* G 3 H2' G 3 3.694 15.704 -16.900
34 2H2* G 3 H2'' G 3 5.055 14.502 -17.027
35 1H5* G 4 H5'' G 4 8.107 14.288 -17.651
36 2H5* G 4 H5' G 4 8.479 12.797 -18.529
37 H4* G 4 H4' G 4 9.219 12.696 -16.163
38 H3* G 4 H3' G 4 7.372 10.789 -17.440
39 H1* G 4 H1' G 4 7.941 11.853 -13.777
40 H8 G 4 H8 G 4 4.268 12.379 -15.144
41 H1 G 4 H1 G 4 4.706 12.014 -8.786
42 1H2 G 4 1H2 G 4 6.805 11.654 -8.165
43 2H2 G 4 2H2 G 4 8.109 11.500 -9.321
44 1H2* G 4 H2' G 4 6.060 10.481 -15.573
45 2H2* G 4 H2'' G 4 7.445 9.876 -14.736
46 1H5* T 5 H5'' T 5 10.447 10.259 -14.171
47 2H5* T 5 H5' T 5 11.456 8.868 -14.646
48 H4* T 5 H4' T 5 11.440 9.399 -12.173
49 H3* T 5 H3' T 5 11.467 6.944 -13.383
50 1H2* T 5 H2' T 5 9.158 6.514 -12.976
51 2H2* T 5 H2'' T 5 9.854 5.886 -11.403
52 H1* T 5 H1' T 5 9.587 7.847 -10.285
53 H3 T 5 H3 T 5 5.097 7.829 -9.152
54 1H5M T 5 1H7 T 5 3.848 7.783 -13.678
55 2H5M T 5 2H7 T 5 5.322 7.044 -14.390
56 3H5M T 5 3H7 T 5 5.176 8.805 -14.289
57 H6 T 5 H6 T 5 7.540 7.870 -13.294
58 1H5* G 6 H5'' G 6 10.599 7.870 -8.329
59 2H5* G 6 H5' G 6 12.086 6.909 -7.943
60 H4* G 6 H4' G 6 10.498 6.599 -6.025
61 H3* G 6 H3' G 6 11.149 4.482 -7.804
62 H1* G 6 H1' G 6 8.093 5.208 -5.776
63 H8 G 6 H8 G 6 7.475 5.104 -9.612
64 H1 G 6 H1 G 6 2.006 5.325 -6.342
65 1H2 G 6 1H2 G 6 2.470 5.500 -4.125
66 2H2 G 6 2H2 G 6 4.117 5.555 -3.531
67 1H2* G 6 H2' G 6 9.007 4.063 -8.348
68 2H2* G 6 H2'' G 6 8.880 3.331 -6.721
69 1H5* A 7 H5'' A 7 9.306 4.112 -3.526
70 2H5* A 7 H5' A 7 10.403 2.854 -2.862
71 H4* A 7 H4' A 7 8.183 2.601 -1.698
72 H3* A 7 H3' A 7 9.239 0.586 -3.379
73 H1* A 7 H1' A 7 5.668 1.460 -2.639
74 H8 A 7 H8 A 7 7.170 1.965 -6.148
75 1H6 A 7 1H6 A 7 1.344 2.240 -8.303
76 2H6 A 7 2H6 A 7 3.027 2.253 -8.747
77 H2 A 7 H2 A 7 1.199 1.844 -3.818
78 1H2* A 7 H2' A 7 7.615 0.508 -4.670
79 2H2* A 7 H2'' A 7 6.647 -0.362 -3.418
80 1H5* T 8 H5'' T 8 5.780 -0.117 -0.507
81 2H5* T 8 H5' T 8 6.276 -1.510 0.408
82 H4* T 8 H4' T 8 3.852 -1.600 0.099
83 H3* T 8 H3' T 8 5.606 -3.641 -0.694
84 1H2* T 8 H2' T 8 5.226 -3.420 -2.898
85 2H2* T 8 H2'' T 8 3.744 -4.306 -2.740
86 H1* T 8 H1' T 8 2.328 -2.664 -2.259
87 H3 T 8 H3 T 8 1.270 -1.955 -6.670
88 1H5M T 8 1H7 T 8 5.917 -2.060 -7.645
89 2H5M T 8 2H7 T 8 6.389 -2.687 -5.974
90 3H5M T 8 3H7 T 8 6.392 -0.918 -6.307
91 H6 T 8 H6 T 8 5.337 -2.053 -4.123
92 1H5* T 9 H5'' T 9 0.960 -4.041 -0.613
93 2H5* T 9 H5' T 9 0.598 -5.624 0.092
94 H4* T 9 H4' T 9 -1.104 -5.006 -1.599
95 H3* T 9 H3' T 9 0.301 -7.415 -1.444
96 1H2* T 9 H2' T 9 1.499 -7.152 -3.348
97 2H2* T 9 H2'' T 9 0.185 -7.615 -4.303
98 H1* T 9 H1' T 9 -0.854 -5.754 -4.545
99 H3 T 9 H3 T 9 1.236 -4.626 -8.467
100 1H5M T 9 1H7 T 9 5.059 -6.278 -5.237
101 2H5M T 9 2H7 T 9 5.066 -4.540 -4.899
102 3H5M T 9 3H7 T 9 5.425 -5.115 -6.535
103 H6 T 9 H6 T 9 2.632 -5.679 -4.010
104 1H5* G 10 H5'' G 10 -3.974 -8.026 -3.583
105 2H5* G 10 H5' G 10 -4.577 -9.565 -2.901
106 H4* G 10 H4' G 10 -5.108 -9.418 -5.333
107 H3* G 10 H3' G 10 -3.441 -11.493 -4.142
108 H1* G 10 H1' G 10 -3.319 -10.111 -7.650
109 H8 G 10 H8 G 10 -0.375 -9.692 -5.177
110 H1 G 10 H1 G 10 1.156 -7.988 -11.173
111 1H2 G 10 1H2 G 10 -0.651 -8.158 -12.495
112 2H2 G 10 2H2 G 10 -2.192 -8.689 -11.859
113 1H2* G 10 H2' G 10 -1.766 -11.342 -5.538
114 2H2* G 10 H2'' G 10 -2.772 -12.016 -6.756
115 1H5* T 11 H5'' T 11 -5.603 -11.814 -8.219
116 2H5* T 11 H5' T 11 -6.437 -13.398 -8.088
117 H4* T 11 H4' T 11 -5.845 -13.091 -10.490
118 H3* T 11 H3' T 11 -4.909 -15.181 -8.955
119 1H2* T 11 H2' T 11 -2.739 -14.843 -9.552
120 2H2* T 11 H2'' T 11 -3.207 -15.310 -11.273
121 H1* T 11 H1' T 11 -3.367 -13.379 -11.999
122 H3 T 11 H3 T 11 0.985 -11.844 -12.309
123 1H5M T 11 1H7 T 11 0.576 -13.453 -7.342
124 2H5M T 11 2H7 T 11 -0.027 -11.785 -7.150
125 3H5M T 11 3H7 T 11 1.619 -12.073 -7.757
126 H6 T 11 H6 T 11 -1.853 -13.155 -8.634
127 1H5* T 12 H5'' T 12 -5.095 -15.219 -13.418
128 2H5* T 12 H5' T 12 -5.524 -16.778 -14.035
129 H4* T 12 H4' T 12 -3.807 -15.727 -15.471
130 H3* T 12 H3' T 12 -3.688 -18.294 -14.245
131 1H2* T 12 H2' T 12 -1.753 -17.935 -13.310
132 2H2* T 12 H2'' T 12 -0.896 -18.239 -14.752
133 H1* T 12 H1' T 12 -0.914 -15.941 -15.397
134 H3 T 12 H3 T 12 2.855 -14.884 -13.068
135 1H5M T 12 1H7 T 12 1.002 -16.132 -9.066
136 2H5M T 12 2H7 T 12 -0.399 -17.126 -9.526
137 3H5M T 12 3H7 T 12 -0.592 -15.370 -9.249
138 H6 T 12 H6 T 12 -1.537 -16.473 -11.885
139 1H5* C 13 H5'' C 13 -1.272 -18.025 -18.400
140 2H5* C 13 H5' C 13 -1.386 -19.591 -19.203
141 H4* C 13 H4' C 13 0.953 -18.706 -19.203
142 H3* C 13 H3' C 13 0.133 -21.295 -18.686
143 H1* C 13 H1' C 13 3.111 -19.350 -16.973
144 1H4 C 13 1H4 C 13 3.471 -18.300 -10.783
145 2H4 C 13 2H4 C 13 1.843 -18.937 -10.504
146 H5 C 13 H5 C 13 0.415 -19.742 -12.326
147 H6 C 13 H6 C 13 0.195 -20.098 -14.600
148 1H2* C 13 H2' C 13 0.601 -21.118 -16.337
149 2H2* C 13 H2'' C 13 2.109 -21.778 -16.861
150 1H5* A 14 H5'' A 14 5.781 -19.942 -18.762
151 2H5* A 14 H5' A 14 5.722 -21.544 -19.522
152 H4* A 14 H4' A 14 7.536 -21.596 -17.954
153 H3* A 14 H3' A 14 5.001 -22.969 -17.227
154 H1* A 14 H1' A 14 8.120 -21.687 -15.249
155 H8 A 14 H8 A 14 4.427 -21.556 -14.207
156 1H6 A 14 1H6 A 14 6.483 -18.984 -8.938
157 2H6 A 14 2H6 A 14 5.078 -19.584 -9.809
158 H2 A 14 H2 A 14 9.980 -19.618 -11.789
159 1H2* A 14 H2' A 14 5.593 -23.090 -15.029
160 2H2* A 14 H2'' A 14 7.192 -23.687 -15.373
161 1H5* G 15 H5'' G 15 8.992 -24.296 -16.532
162 2H5* G 15 H5' G 15 9.419 -25.980 -16.968
163 H4* G 15 H4' G 15 10.640 -25.230 -14.948
164 H3* G 15 H3' G 15 8.855 -27.527 -15.065
165 H1* G 15 H1' G 15 10.010 -25.033 -12.135
166 H8 G 15 H8 G 15 6.189 -25.441 -12.955
167 H1 G 15 H1 G 15 7.484 -22.931 -7.205
168 1H2 G 15 1H2 G 15 9.670 -22.820 -6.898
169 2H2 G 15 2H2 G 15 10.821 -23.361 -8.099
170 H3T G 15 H3T G 15 11.365 -27.191 -13.794
171 1H2* G 15 H2' G 15 8.054 -27.178 -12.686
172 2H2* G 15 H2'' G 15 9.743 -27.340 -12.263
173 1H5* C 16 H5'' C 16 9.747 -21.222 1.259
174 2H5* C 16 H5' C 16 10.349 -19.544 1.378
175 H4* C 16 H4' C 16 11.681 -20.894 -0.313
176 H3* C 16 H3' C 16 10.351 -18.361 -0.689
177 H1* C 16 H1' C 16 11.100 -21.561 -3.201
178 1H4 C 16 1H4 C 16 5.763 -22.589 -6.586
179 2H4 C 16 2H4 C 16 4.766 -22.035 -5.235
180 H5 C 16 H5 C 16 5.669 -21.190 -3.176
181 H6 C 16 H6 C 16 7.770 -20.683 -1.939
182 H5T C 16 H5T C 16 8.087 -19.673 1.243
183 1H2* C 16 H2' C 16 9.472 -18.996 -2.889
184 2H2* C 16 H2'' C 16 11.211 -19.295 -3.529
185 1H5* T 17 H5'' T 17 13.760 -19.142 -3.776
186 2H5* T 17 H5' T 17 14.736 -17.662 -3.594
187 H4* T 17 H4' T 17 14.563 -18.368 -6.051
188 H3* T 17 H3' T 17 14.141 -15.821 -4.928
189 1H2* T 17 H2' T 17 11.923 -15.774 -5.492
190 2H2* T 17 H2'' T 17 12.575 -15.260 -7.095
191 H1* T 17 H1' T 17 12.463 -17.574 -7.984
192 H3 T 17 H3 T 17 8.194 -18.497 -9.083
193 1H5M T 17 1H7 T 17 7.877 -17.923 -3.899
194 2H5M T 17 2H7 T 17 6.562 -17.282 -4.903
195 3H5M T 17 3H7 T 17 7.843 -16.196 -4.319
196 H6 T 17 H6 T 17 10.257 -17.001 -5.013
197 1H5* G 18 H5'' G 18 14.065 -17.648 -10.361
198 2H5* G 18 H5' G 18 14.948 -16.151 -10.593
199 H4* G 18 H4' G 18 13.390 -16.440 -12.222
200 H3* G 18 H3' G 18 13.279 -14.212 -10.360
201 H1* G 18 H1' G 18 10.503 -15.692 -12.531
202 H8 G 18 H8 G 18 9.413 -15.488 -8.630
203 H1 G 18 H1 G 18 4.971 -17.684 -12.613
204 1H2 G 18 1H2 G 18 5.749 -17.857 -14.673
205 2H2 G 18 2H2 G 18 7.388 -17.431 -15.108
206 1H2* G 18 H2' G 18 11.174 -14.278 -9.940
207 2H2* G 18 H2'' G 18 10.891 -13.549 -11.506
208 1H5* A 19 H5'' A 19 12.724 -13.771 -15.092
209 2H5* A 19 H5' A 19 13.234 -12.106 -15.482
210 H4* A 19 H4' A 19 11.293 -13.041 -17.129
211 H3* A 19 H3' A 19 11.433 -10.462 -15.754
212 H1* A 19 H1' A 19 8.540 -12.767 -16.598
213 H8 A 19 H8 A 19 9.773 -12.311 -13.049
214 1H6 A 19 1H6 A 19 4.265 -14.236 -10.864
215 2H6 A 19 2H6 A 19 5.865 -13.707 -10.400
216 H2 A 19 H2 A 19 4.091 -14.174 -15.315
217 1H2* A 19 H2' A 19 9.559 -10.754 -14.665
218 2H2* A 19 H2'' A 19 8.778 -10.566 -16.287
219 1H5* A 20 H5'' A 20 8.501 -10.850 -19.263
220 2H5* A 20 H5' A 20 8.374 -9.317 -20.151
221 H4* A 20 H4' A 20 6.158 -10.439 -19.755
222 H3* A 20 H3' A 20 6.707 -7.601 -18.926
223 H1* A 20 H1' A 20 4.232 -10.235 -17.543
224 H8 A 20 H8 A 20 7.158 -8.789 -15.217
225 1H6 A 20 1H6 A 20 3.572 -10.692 -10.577
226 2H6 A 20 2H6 A 20 5.075 -9.933 -11.034
227 H2 A 20 H2 A 20 1.485 -11.635 -14.532
228 1H2* A 20 H2' A 20 5.782 -7.748 -17.086
229 2H2* A 20 H2'' A 20 4.218 -7.926 -17.871
230 1H5* C 21 H5'' C 21 2.250 -8.337 -20.152
231 2H5* C 21 H5' C 21 1.820 -6.793 -20.921
232 H4* C 21 H4' C 21 0.092 -7.421 -19.288
233 H3* C 21 H3' C 21 1.668 -4.970 -19.268
234 H1* C 21 H1' C 21 -0.203 -7.074 -16.422
235 1H4 C 21 1H4 C 21 2.838 -7.459 -10.901
236 2H4 C 21 2H4 C 21 4.385 -6.997 -11.594
237 H5 C 21 H5 C 21 4.655 -6.530 -13.914
238 H6 C 21 H6 C 21 3.615 -6.383 -16.100
239 1H2* C 21 H2' C 21 1.925 -4.961 -16.864
240 2H2* C 21 H2'' C 21 0.089 -4.889 -16.848
241 1H5* A 22 H5'' A 22 -2.871 -5.331 -17.594
242 2H5* A 22 H5' A 22 -3.465 -3.739 -18.182
243 H4* A 22 H4' A 22 -4.651 -4.644 -16.063
244 H3* A 22 H3' A 22 -3.893 -2.022 -16.775
245 H1* A 22 H1' A 22 -3.827 -3.643 -13.421
246 H8 A 22 H8 A 22 -0.484 -2.866 -15.126
247 1H6 A 22 1H6 A 22 2.429 -4.086 -9.697
248 2H6 A 22 2H6 A 22 2.674 -3.589 -11.353
249 H2 A 22 H2 A 22 -1.990 -4.712 -9.188
250 1H2* A 22 H2' A 22 -2.209 -2.013 -15.362
251 2H2* A 22 H2'' A 22 -3.470 -1.395 -14.189
252 1H5* A 23 H5'' A 23 -6.642 -3.371 -12.632
253 2H5* A 23 H5' A 23 -7.679 -1.970 -12.974
254 H4* A 23 H4' A 23 -7.556 -2.402 -10.393
255 H3* A 23 H3' A 23 -7.253 0.022 -11.810
256 H1* A 23 H1' A 23 -5.472 -1.181 -8.714
257 H8 A 23 H8 A 23 -3.605 -0.813 -12.062
258 1H6 A 23 1H6 A 23 1.764 -1.444 -8.953
259 2H6 A 23 2H6 A 23 1.054 -1.146 -10.517
260 H2 A 23 H2 A 23 -1.643 -1.944 -6.056
261 1H2* A 23 H2' A 23 -5.132 0.342 -11.200
262 2H2* A 23 H2'' A 23 -5.764 0.689 -9.521
263 1H5* T 24 H5'' T 24 -7.668 -0.008 -6.992
264 2H5* T 24 H5' T 24 -8.563 1.449 -6.589
265 H4* T 24 H4' T 24 -6.947 1.023 -4.989
266 H3* T 24 H3' T 24 -7.112 3.559 -6.326
267 1H2* T 24 H2' T 24 -4.679 3.669 -6.978
268 2H2* T 24 H2'' T 24 -4.444 3.780 -5.217
269 H1* T 24 H1' T 24 -3.699 1.627 -4.902
270 H3 T 24 H3 T 24 0.197 1.740 -7.021
271 1H5M T 24 1H7 T 24 -3.597 3.348 -10.172
272 2H5M T 24 2H7 T 24 -3.238 1.733 -10.928
273 3H5M T 24 3H7 T 24 -2.001 3.073 -11.011
274 H6 T 24 H6 T 24 -4.284 2.273 -8.554
275 1H5* C 25 H5'' C 25 -5.280 3.884 -2.090
276 2H5* C 25 H5' C 25 -5.927 5.405 -1.376
277 H4* C 25 H4' C 25 -3.584 4.825 -0.689
278 H3* C 25 H3' C 25 -4.347 7.378 -1.538
279 H1* C 25 H1' C 25 -0.966 5.638 -2.267
280 1H4 C 25 1H4 C 25 0.518 5.195 -8.454
281 2H4 C 25 2H4 C 25 -1.191 5.193 -8.922
282 H5 C 25 H5 C 25 -2.968 5.354 -7.338
283 H6 C 25 H6 C 25 -3.549 5.557 -4.922
284 1H2* C 25 H2' C 25 -3.224 7.204 -3.559
285 2H2* C 25 H2'' C 25 -1.845 7.842 -2.603
286 1H5* A 26 H5'' A 26 0.859 6.565 -0.096
287 2H5* A 26 H5' A 26 0.484 7.888 1.013
288 H4* A 26 H4' A 26 2.779 8.096 0.256
289 H3* A 26 H3' A 26 0.786 10.111 -0.213
290 H1* A 26 H1' A 26 3.986 9.341 -2.389
291 H8 A 26 H8 A 26 0.359 9.101 -3.873
292 1H6 A 26 1H6 A 26 3.116 8.152 -9.342
293 2H6 A 26 2H6 A 26 1.588 8.372 -8.529
294 H2 A 26 H2 A 26 6.304 8.366 -6.201
295 1H2* A 26 H2' A 26 1.162 10.386 -2.354
296 2H2* A 26 H2'' A 26 2.683 11.209 -1.925
297 1H5* C 27 H5'' C 27 5.165 10.149 -0.039
298 2H5* C 27 H5' C 27 5.921 11.542 0.759
299 H4* C 27 H4' C 27 7.380 10.526 -1.020
300 H3* C 27 H3' C 27 6.547 13.325 -0.845
301 H1* C 27 H1' C 27 7.396 11.157 -4.027
302 1H4 C 27 1H4 C 27 2.863 12.616 -8.349
303 2H4 C 27 2H4 C 27 1.703 12.970 -7.067
304 H5 C 27 H5 C 27 2.250 12.858 -4.720
305 H6 C 27 H6 C 27 4.030 12.381 -3.096
306 1H2* C 27 H2' C 27 6.182 13.684 -2.973
307 2H2* C 27 H2'' C 27 7.870 13.236 -3.368
308 1H5* C 28 H5'' C 28 10.699 12.750 -3.097
309 2H5* C 28 H5' C 28 11.729 14.008 -2.387
310 H4* C 28 H4' C 28 11.975 13.906 -4.882
311 H3* C 28 H3' C 28 11.473 16.282 -3.303
312 H1* C 28 H1' C 28 10.377 15.167 -7.110
313 1H4 C 28 1H4 C 28 4.240 16.245 -8.443
314 2H4 C 28 2H4 C 28 3.773 15.928 -6.772
315 H5 C 28 H5 C 28 5.317 15.432 -5.061
316 H6 C 28 H6 C 28 7.627 15.110 -4.480
317 1H2* C 28 H2' C 28 9.515 16.773 -4.615
318 2H2* C 28 H2'' C 28 10.665 17.280 -5.885
319 1H5* C 29 H5'' C 29 13.022 16.537 -7.803
320 2H5* C 29 H5' C 29 14.413 17.634 -7.460
321 H4* C 29 H4' C 29 13.675 18.100 -9.728
322 H3* C 29 H3' C 29 13.319 20.052 -7.587
323 H1* C 29 H1' C 29 11.088 19.488 -10.818
324 1H4 C 29 1H4 C 29 5.054 19.269 -8.633
325 2H4 C 29 2H4 C 29 5.615 18.896 -7.000
326 H5 C 29 H5 C 29 7.948 18.728 -6.404
327 H6 C 29 H6 C 29 10.250 18.882 -7.250
328 1H2* C 29 H2' C 29 11.344 20.783 -8.134
329 2H2* C 29 H2'' C 29 11.943 21.348 -9.724
330 1H5* C 30 H5'' C 30 13.847 21.560 -11.895
331 2H5* C 30 H5' C 30 14.785 23.074 -11.897
332 H4* C 30 H4' C 30 12.838 23.207 -13.462
333 H3* C 30 H3' C 30 13.157 24.944 -11.077
334 H1* C 30 H1' C 30 9.901 23.774 -12.959
335 1H4 C 30 1H4 C 30 5.890 22.821 -8.065
336 2H4 C 30 2H4 C 30 7.221 22.645 -6.936
337 H5 C 30 H5 C 30 9.553 22.863 -7.585
338 H6 C 30 H6 C 30 11.075 23.296 -9.456
339 H3T C 30 H3T C 30 12.809 25.374 -13.879
340 1H2* C 30 H2' C 30 11.059 25.422 -10.802
341 2H2* C 30 H2'' C 30 10.799 25.849 -12.518
Start of MODEL 14
1 1H5* G 1 H5'' G 1 -6.082 23.893 -14.009
2 2H5* G 1 H5' G 1 -6.864 22.564 -14.778
3 H4* G 1 H4' G 1 -4.536 22.936 -15.788
4 H3* G 1 H3' G 1 -5.173 20.349 -14.427
5 H1* G 1 H1' G 1 -1.693 22.370 -14.871
6 H8 G 1 H8 G 1 -3.102 20.807 -11.517
7 H1 G 1 H1 G 1 2.984 22.787 -11.374
8 1H2 G 1 1H2 G 1 3.571 23.645 -13.329
9 2H2 G 1 2H2 G 1 2.468 23.738 -14.686
10 H5T G 1 H5T G 1 -5.420 22.496 -12.334
11 1H2* G 1 H2' G 1 -3.143 19.999 -13.695
12 2H2* G 1 H2'' G 1 -2.517 19.988 -15.309
13 1H5* G 2 H5'' G 2 -2.687 20.954 -17.876
14 2H5* G 2 H5' G 2 -2.561 19.748 -19.171
15 H4* G 2 H4' G 2 -0.370 20.824 -18.619
16 H3* G 2 H3' G 2 -0.899 18.010 -18.807
17 H1* G 2 H1' G 2 1.661 19.853 -16.571
18 H8 G 2 H8 G 2 -1.370 18.334 -14.560
19 H1 G 2 H1 G 2 4.149 18.772 -11.333
20 1H2 G 2 1H2 G 2 5.741 19.558 -12.666
21 2H2 G 2 2H2 G 2 5.443 19.972 -14.341
22 1H2* G 2 H2' G 2 -0.217 17.487 -16.750
23 2H2* G 2 H2'' G 2 1.456 17.649 -17.380
24 1H5* G 3 H5'' G 3 4.430 18.654 -19.264
25 2H5* G 3 H5' G 3 4.292 17.502 -20.593
26 H4* G 3 H4' G 3 6.140 16.842 -19.065
27 H3* G 3 H3' G 3 3.857 15.161 -19.691
28 H1* G 3 H1' G 3 6.036 15.205 -16.541
29 H8 G 3 H8 G 3 2.278 15.587 -16.086
30 H1 G 3 H1 G 3 5.618 15.387 -10.620
31 1H2 G 3 1H2 G 3 7.788 15.392 -11.080
32 2H2 G 3 2H2 G 3 8.399 15.444 -12.736
33 1H2* G 3 H2' G 3 3.302 14.725 -17.617
34 2H2* G 3 H2'' G 3 4.734 13.632 -17.607
35 1H5* G 4 H5'' G 4 7.879 13.573 -18.140
36 2H5* G 4 H5' G 4 8.326 12.113 -19.042
37 H4* G 4 H4' G 4 9.150 12.049 -16.703
38 H3* G 4 H3' G 4 7.452 10.025 -17.949
39 H1* G 4 H1' G 4 7.942 11.091 -14.304
40 H8 G 4 H8 G 4 4.206 11.450 -15.573
41 H1 G 4 H1 G 4 4.876 11.253 -9.222
42 1H2 G 4 1H2 G 4 7.017 11.054 -8.659
43 2H2 G 4 2H2 G 4 8.290 10.969 -9.858
44 1H2* G 4 H2' G 4 6.061 9.745 -16.137
45 2H2* G 4 H2'' G 4 7.426 9.128 -15.274
46 1H5* T 5 H5'' T 5 10.297 9.856 -14.442
47 2H5* T 5 H5' T 5 11.382 8.504 -14.844
48 H4* T 5 H4' T 5 11.349 9.036 -12.413
49 H3* T 5 H3' T 5 11.333 6.571 -13.605
50 1H2* T 5 H2' T 5 9.057 6.129 -13.125
51 2H2* T 5 H2'' T 5 9.797 5.580 -11.546
52 H1* T 5 H1' T 5 9.470 7.535 -10.471
53 H3 T 5 H3 T 5 5.045 7.592 -9.287
54 1H5M T 5 1H7 T 5 5.037 6.497 -14.416
55 2H5M T 5 2H7 T 5 5.186 8.257 -14.540
56 3H5M T 5 3H7 T 5 3.727 7.544 -13.792
57 H6 T 5 H6 T 5 7.452 7.464 -13.466
58 1H5* G 6 H5'' G 6 10.760 7.253 -8.745
59 2H5* G 6 H5' G 6 12.200 6.280 -8.251
60 H4* G 6 H4' G 6 10.589 6.107 -6.371
61 H3* G 6 H3' G 6 11.138 3.887 -8.035
62 H1* G 6 H1' G 6 8.119 4.826 -6.088
63 H8 G 6 H8 G 6 7.442 4.631 -9.900
64 H1 G 6 H1 G 6 2.041 5.083 -6.528
65 1H2 G 6 1H2 G 6 2.549 5.332 -4.347
66 2H2 G 6 2H2 G 6 4.205 5.380 -3.778
67 1H2* G 6 H2' G 6 8.984 3.658 -8.658
68 2H2* G 6 H2'' G 6 8.779 2.891 -7.040
69 1H5* A 7 H5'' A 7 9.252 3.892 -3.705
70 2H5* A 7 H5' A 7 10.301 2.610 -3.021
71 H4* A 7 H4' A 7 8.126 2.579 -1.752
72 H3* A 7 H3' A 7 9.063 0.391 -3.265
73 H1* A 7 H1' A 7 5.517 1.425 -2.589
74 H8 A 7 H8 A 7 7.045 1.735 -6.092
75 1H6 A 7 1H6 A 7 1.214 1.895 -8.287
76 2H6 A 7 2H6 A 7 2.900 1.899 -8.727
77 H2 A 7 H2 A 7 1.069 1.684 -3.783
78 1H2* A 7 H2' A 7 7.415 0.295 -4.551
79 2H2* A 7 H2'' A 7 6.464 -0.461 -3.207
80 1H5* T 8 H5'' T 8 5.601 -0.067 -0.430
81 2H5* T 8 H5' T 8 6.070 -1.365 0.630
82 H4* T 8 H4' T 8 3.683 -1.564 0.224
83 H3* T 8 H3' T 8 5.547 -3.585 -0.419
84 1H2* T 8 H2' T 8 5.212 -3.519 -2.629
85 2H2* T 8 H2'' T 8 3.767 -4.439 -2.434
86 H1* T 8 H1' T 8 2.289 -2.785 -2.146
87 H3 T 8 H3 T 8 1.348 -2.211 -6.584
88 1H5M T 8 1H7 T 8 6.478 -2.905 -5.699
89 2H5M T 8 2H7 T 8 6.441 -1.180 -6.243
90 3H5M T 8 3H7 T 8 6.016 -2.495 -7.424
91 H6 T 8 H6 T 8 5.355 -2.257 -3.938
92 1H5* T 9 H5'' T 9 0.927 -3.973 -0.308
93 2H5* T 9 H5' T 9 0.549 -5.538 0.434
94 H4* T 9 H4' T 9 -1.170 -4.934 -1.242
95 H3* T 9 H3' T 9 0.219 -7.356 -1.064
96 1H2* T 9 H2' T 9 1.420 -7.123 -2.960
97 2H2* T 9 H2'' T 9 0.089 -7.624 -3.869
98 H1* T 9 H1' T 9 -0.919 -5.762 -4.185
99 H3 T 9 H3 T 9 1.121 -4.572 -8.102
100 1H5M T 9 1H7 T 9 5.328 -5.114 -6.274
101 2H5M T 9 2H7 T 9 4.978 -6.407 -5.103
102 3H5M T 9 3H7 T 9 5.017 -4.718 -4.576
103 H6 T 9 H6 T 9 2.604 -5.753 -3.708
104 1H5* G 10 H5'' G 10 -4.048 -7.695 -3.555
105 2H5* G 10 H5' G 10 -4.588 -9.294 -2.997
106 H4* G 10 H4' G 10 -5.193 -8.878 -5.413
107 H3* G 10 H3' G 10 -3.734 -11.169 -4.418
108 H1* G 10 H1' G 10 -3.384 -9.544 -7.764
109 H8 G 10 H8 G 10 -0.496 -9.366 -5.198
110 H1 G 10 H1 G 10 1.285 -7.677 -11.118
111 1H2 G 10 1H2 G 10 -0.489 -7.749 -12.480
112 2H2 G 10 2H2 G 10 -2.075 -8.213 -11.898
113 1H2* G 10 H2' G 10 -1.947 -10.928 -5.664
114 2H2* G 10 H2'' G 10 -2.872 -11.513 -6.993
115 1H5* T 11 H5'' T 11 -5.735 -10.918 -8.855
116 2H5* T 11 H5' T 11 -6.580 -12.497 -8.768
117 H4* T 11 H4' T 11 -5.913 -12.173 -11.137
118 H3* T 11 H3' T 11 -5.026 -14.278 -9.580
119 1H2* T 11 H2' T 11 -2.885 -13.939 -10.078
120 2H2* T 11 H2'' T 11 -3.244 -14.427 -11.831
121 H1* T 11 H1' T 11 -3.364 -12.499 -12.553
122 H3 T 11 H3 T 11 1.053 -11.117 -12.626
123 1H5M T 11 1H7 T 11 -0.342 -11.176 -7.502
124 2H5M T 11 2H7 T 11 1.359 -11.175 -8.031
125 3H5M T 11 3H7 T 11 0.508 -12.712 -7.760
126 H6 T 11 H6 T 11 -2.019 -12.306 -9.090
127 1H5* T 12 H5'' T 12 -4.815 -14.600 -13.944
128 2H5* T 12 H5' T 12 -5.215 -16.189 -14.512
129 H4* T 12 H4' T 12 -3.228 -15.369 -15.710
130 H3* T 12 H3' T 12 -3.307 -17.750 -14.125
131 1H2* T 12 H2' T 12 -1.526 -17.270 -13.031
132 2H2* T 12 H2'' T 12 -0.470 -17.650 -14.322
133 H1* T 12 H1' T 12 -0.448 -15.449 -15.166
134 H3 T 12 H3 T 12 2.944 -14.036 -12.518
135 1H5M T 12 1H7 T 12 0.686 -15.033 -8.683
136 2H5M T 12 2H7 T 12 -0.578 -16.165 -9.202
137 3H5M T 12 3H7 T 12 -0.937 -14.420 -9.082
138 H6 T 12 H6 T 12 -1.511 -15.704 -11.745
139 1H5* C 13 H5'' C 13 -0.185 -18.153 -17.957
140 2H5* C 13 H5' C 13 -0.219 -19.882 -18.323
141 H4* C 13 H4' C 13 2.109 -18.937 -18.308
142 H3* C 13 H3' C 13 1.264 -21.358 -17.268
143 H1* C 13 H1' C 13 3.976 -18.904 -15.716
144 1H4 C 13 1H4 C 13 3.407 -16.301 -10.026
145 2H4 C 13 2H4 C 13 1.800 -17.009 -9.793
146 H5 C 13 H5 C 13 0.711 -18.362 -11.491
147 H6 C 13 H6 C 13 0.815 -19.289 -13.604
148 1H2* C 13 H2' C 13 1.466 -20.635 -15.002
149 2H2* C 13 H2'' C 13 3.050 -21.292 -15.207
150 1H5* A 14 H5'' A 14 6.768 -19.700 -17.094
151 2H5* A 14 H5' A 14 6.923 -21.430 -17.438
152 H4* A 14 H4' A 14 8.535 -20.909 -15.726
153 H3* A 14 H3' A 14 6.067 -22.398 -14.998
154 H1* A 14 H1' A 14 8.743 -20.372 -13.002
155 H8 A 14 H8 A 14 4.954 -20.363 -12.479
156 1H6 A 14 1H6 A 14 6.098 -16.568 -7.690
157 2H6 A 14 2H6 A 14 4.850 -17.448 -8.564
158 H2 A 14 H2 A 14 9.974 -17.492 -9.851
159 1H2* A 14 H2' A 14 6.302 -21.923 -12.800
160 2H2* A 14 H2'' A 14 7.977 -22.427 -12.777
161 1H5* G 15 H5'' G 15 10.053 -23.061 -13.499
162 2H5* G 15 H5' G 15 10.636 -24.750 -13.516
163 H4* G 15 H4' G 15 11.522 -23.551 -11.560
164 H3* G 15 H3' G 15 9.872 -25.927 -11.416
165 H1* G 15 H1' G 15 10.521 -22.866 -8.936
166 H8 G 15 H8 G 15 6.834 -23.531 -10.132
167 H1 G 15 H1 G 15 7.368 -19.809 -4.952
168 1H2 G 15 1H2 G 15 9.501 -19.578 -4.388
169 2H2 G 15 2H2 G 15 10.796 -20.341 -5.287
170 H3T G 15 H3T G 15 11.577 -26.497 -9.992
171 1H2* G 15 H2' G 15 8.648 -25.128 -9.364
172 2H2* G 15 H2'' G 15 10.237 -25.146 -8.626
173 1H5* C 16 H5'' C 16 7.325 -16.364 3.037
174 2H5* C 16 H5' C 16 7.955 -14.693 2.980
175 H4* C 16 H4' C 16 9.498 -16.266 1.773
176 H3* C 16 H3' C 16 8.213 -13.908 0.682
177 H1* C 16 H1' C 16 9.393 -17.488 -0.992
178 1H4 C 16 1H4 C 16 4.688 -19.293 -4.904
179 2H4 C 16 2H4 C 16 3.476 -18.491 -3.897
180 H5 C 16 H5 C 16 4.038 -17.216 -1.929
181 H6 C 16 H6 C 16 5.908 -16.434 -0.494
182 H5T C 16 H5T C 16 6.532 -14.317 1.250
183 1H2* C 16 H2' C 16 7.785 -14.956 -1.483
184 2H2* C 16 H2'' C 16 9.602 -15.335 -1.691
185 1H5* T 17 H5'' T 17 12.189 -15.173 -1.509
186 2H5* T 17 H5' T 17 13.072 -13.624 -1.410
187 H4* T 17 H4' T 17 13.485 -14.780 -3.662
188 H3* T 17 H3' T 17 12.818 -12.116 -3.177
189 1H2* T 17 H2' T 17 10.723 -12.295 -4.059
190 2H2* T 17 H2'' T 17 11.599 -12.010 -5.606
191 H1* T 17 H1' T 17 11.738 -14.414 -6.095
192 H3 T 17 H3 T 17 7.801 -15.998 -7.649
193 1H5M T 17 1H7 T 17 6.388 -12.590 -3.884
194 2H5M T 17 2H7 T 17 6.465 -14.084 -2.929
195 3H5M T 17 3H7 T 17 5.326 -13.954 -4.285
196 H6 T 17 H6 T 17 8.938 -13.371 -3.784
197 1H5* G 18 H5'' G 18 13.898 -14.729 -7.846
198 2H5* G 18 H5' G 18 14.665 -13.271 -8.416
199 H4* G 18 H4' G 18 13.512 -14.374 -10.103
200 H3* G 18 H3' G 18 12.967 -11.643 -9.304
201 H1* G 18 H1' G 18 10.723 -14.077 -11.166
202 H8 G 18 H8 G 18 8.964 -12.807 -7.753
203 H1 G 18 H1 G 18 5.234 -16.223 -11.628
204 1H2 G 18 1H2 G 18 6.357 -16.909 -13.413
205 2H2 G 18 2H2 G 18 8.047 -16.527 -13.668
206 1H2* G 18 H2' G 18 10.812 -11.820 -9.144
207 2H2* G 18 H2'' G 18 10.796 -11.691 -10.891
208 1H5* A 19 H5'' A 19 12.650 -12.949 -14.377
209 2H5* A 19 H5' A 19 13.224 -11.314 -14.809
210 H4* A 19 H4' A 19 11.458 -12.239 -16.565
211 H3* A 19 H3' A 19 11.429 -9.667 -15.154
212 H1* A 19 H1' A 19 8.653 -11.983 -16.349
213 H8 A 19 H8 A 19 9.486 -11.386 -12.718
214 1H6 A 19 1H6 A 19 3.805 -13.353 -11.104
215 2H6 A 19 2H6 A 19 5.330 -12.768 -10.499
216 H2 A 19 H2 A 19 4.167 -13.465 -15.576
217 1H2* A 19 H2' A 19 9.425 -9.949 -14.361
218 2H2* A 19 H2'' A 19 8.863 -9.784 -16.078
219 1H5* A 20 H5'' A 20 9.061 -9.634 -19.122
220 2H5* A 20 H5' A 20 8.914 -7.991 -19.777
221 H4* A 20 H4' A 20 6.737 -9.296 -19.671
222 H3* A 20 H3' A 20 7.112 -6.530 -18.596
223 H1* A 20 H1' A 20 4.669 -9.366 -17.546
224 H8 A 20 H8 A 20 7.367 -7.890 -14.998
225 1H6 A 20 1H6 A 20 3.553 -10.022 -10.653
226 2H6 A 20 2H6 A 20 5.055 -9.200 -10.991
227 H2 A 20 H2 A 20 1.761 -10.951 -14.742
228 1H2* A 20 H2' A 20 6.030 -6.827 -16.853
229 2H2* A 20 H2'' A 20 4.544 -7.067 -17.761
230 1H5* C 21 H5'' C 21 2.920 -7.537 -20.044
231 2H5* C 21 H5' C 21 2.242 -6.067 -20.769
232 H4* C 21 H4' C 21 0.619 -7.070 -19.229
233 H3* C 21 H3' C 21 1.645 -4.370 -19.110
234 H1* C 21 H1' C 21 0.154 -6.801 -16.379
235 1H4 C 21 1H4 C 21 2.998 -7.003 -10.727
236 2H4 C 21 2H4 C 21 4.513 -6.362 -11.354
237 H5 C 21 H5 C 21 4.817 -5.790 -13.661
238 H6 C 21 H6 C 21 3.827 -5.686 -15.874
239 1H2* C 21 H2' C 21 2.053 -4.455 -16.733
240 2H2* C 21 H2'' C 21 0.221 -4.556 -16.654
241 1H5* A 22 H5'' A 22 -2.976 -5.566 -17.285
242 2H5* A 22 H5' A 22 -3.653 -3.998 -17.839
243 H4* A 22 H4' A 22 -4.748 -4.969 -15.713
244 H3* A 22 H3' A 22 -4.100 -2.303 -16.419
245 H1* A 22 H1' A 22 -3.925 -3.968 -13.073
246 H8 A 22 H8 A 22 -0.708 -2.897 -14.800
247 1H6 A 22 1H6 A 22 2.355 -4.038 -9.422
248 2H6 A 22 2H6 A 22 2.556 -3.476 -11.067
249 H2 A 22 H2 A 22 -1.987 -5.009 -8.905
250 1H2* A 22 H2' A 22 -2.469 -2.143 -14.978
251 2H2* A 22 H2'' A 22 -3.769 -1.702 -13.806
252 1H5* A 23 H5'' A 23 -6.758 -3.823 -12.194
253 2H5* A 23 H5' A 23 -7.836 -2.464 -12.533
254 H4* A 23 H4' A 23 -7.691 -2.809 -9.980
255 H3* A 23 H3' A 23 -7.339 -0.412 -11.437
256 H1* A 23 H1' A 23 -5.556 -1.585 -8.305
257 H8 A 23 H8 A 23 -3.749 -1.288 -11.672
258 1H6 A 23 1H6 A 23 1.671 -1.865 -8.608
259 2H6 A 23 2H6 A 23 0.947 -1.602 -10.174
260 H2 A 23 H2 A 23 -1.722 -2.283 -5.681
261 1H2* A 23 H2' A 23 -5.228 -0.095 -10.799
262 2H2* A 23 H2'' A 23 -5.887 0.254 -9.126
263 1H5* T 24 H5'' T 24 -7.774 -0.284 -6.674
264 2H5* T 24 H5' T 24 -8.649 1.200 -6.278
265 H4* T 24 H4' T 24 -6.979 0.778 -4.696
266 H3* T 24 H3' T 24 -7.161 3.298 -6.091
267 1H2* T 24 H2' T 24 -4.782 3.367 -6.815
268 2H2* T 24 H2'' T 24 -4.499 3.511 -5.052
269 H1* T 24 H1' T 24 -3.732 1.366 -4.746
270 H3 T 24 H3 T 24 0.078 1.382 -7.004
271 1H5M T 24 1H7 T 24 -3.820 2.974 -10.063
272 2H5M T 24 2H7 T 24 -3.423 1.363 -10.817
273 3H5M T 24 3H7 T 24 -2.226 2.732 -10.908
274 H6 T 24 H6 T 24 -4.448 1.961 -8.383
275 1H5* C 25 H5'' C 25 -5.087 3.609 -1.934
276 2H5* C 25 H5' C 25 -5.737 5.127 -1.218
277 H4* C 25 H4' C 25 -3.368 4.657 -0.603
278 H3* C 25 H3' C 25 -4.251 7.126 -1.606
279 H1* C 25 H1' C 25 -0.818 5.445 -2.302
280 1H4 C 25 1H4 C 25 0.510 4.630 -8.477
281 2H4 C 25 2H4 C 25 -1.212 4.601 -8.901
282 H5 C 25 H5 C 25 -2.958 4.863 -7.277
283 H6 C 25 H6 C 25 -3.471 5.217 -4.864
284 1H2* C 25 H2' C 25 -3.105 6.940 -3.585
285 2H2* C 25 H2'' C 25 -1.739 7.609 -2.652
286 1H5* A 26 H5'' A 26 0.951 6.218 -0.037
287 2H5* A 26 H5' A 26 0.579 7.592 1.010
288 H4* A 26 H4' A 26 2.889 7.720 0.236
289 H3* A 26 H3' A 26 0.949 9.766 -0.121
290 H1* A 26 H1' A 26 3.956 8.964 -2.514
291 H8 A 26 H8 A 26 0.299 8.627 -3.901
292 1H6 A 26 1H6 A 26 2.979 7.742 -9.430
293 2H6 A 26 2H6 A 26 1.462 7.924 -8.582
294 H2 A 26 H2 A 26 6.217 8.042 -6.335
295 1H2* A 26 H2' A 26 1.077 9.876 -2.334
296 2H2* A 26 H2'' A 26 2.566 10.821 -2.097
297 1H5* C 27 H5'' C 27 5.423 9.602 -0.417
298 2H5* C 27 H5' C 27 6.166 11.035 0.316
299 H4* C 27 H4' C 27 7.654 10.073 -1.413
300 H3* C 27 H3' C 27 6.510 12.781 -1.545
301 H1* C 27 H1' C 27 7.591 10.368 -4.493
302 1H4 C 27 1H4 C 27 2.854 11.357 -8.729
303 2H4 C 27 2H4 C 27 1.676 11.496 -7.420
304 H5 C 27 H5 C 27 2.282 11.407 -5.090
305 H6 C 27 H6 C 27 4.153 11.166 -3.509
306 1H2* C 27 H2' C 27 6.289 12.922 -3.715
307 2H2* C 27 H2'' C 27 8.007 12.506 -3.970
308 1H5* C 28 H5'' C 28 10.497 12.694 -3.792
309 2H5* C 28 H5' C 28 11.403 14.066 -3.126
310 H4* C 28 H4' C 28 11.538 14.039 -5.592
311 H3* C 28 H3' C 28 10.644 16.299 -3.976
312 H1* C 28 H1' C 28 9.733 15.058 -7.777
313 1H4 C 28 1H4 C 28 3.536 15.184 -9.131
314 2H4 C 28 2H4 C 28 3.102 14.760 -7.471
315 H5 C 28 H5 C 28 4.694 14.478 -5.750
316 H6 C 28 H6 C 28 7.036 14.514 -5.146
317 1H2* C 28 H2' C 28 8.677 16.536 -5.299
318 2H2* C 28 H2'' C 28 9.732 17.167 -6.586
319 1H5* C 29 H5'' C 29 11.995 17.051 -8.382
320 2H5* C 29 H5' C 29 13.226 18.333 -8.056
321 H4* C 29 H4' C 29 12.261 18.911 -10.175
322 H3* C 29 H3' C 29 11.578 20.502 -7.823
323 H1* C 29 H1' C 29 9.550 19.803 -11.108
324 1H4 C 29 1H4 C 29 3.555 18.158 -9.536
325 2H4 C 29 2H4 C 29 4.048 17.764 -7.886
326 H5 C 29 H5 C 29 6.312 18.009 -7.077
327 H6 C 29 H6 C 29 8.592 18.683 -7.677
328 1H2* C 29 H2' C 29 9.442 20.757 -8.259
329 2H2* C 29 H2'' C 29 9.836 21.676 -9.727
330 1H5* C 30 H5'' C 30 11.478 22.654 -11.903
331 2H5* C 30 H5' C 30 12.137 24.287 -11.664
332 H4* C 30 H4' C 30 10.160 24.356 -13.125
333 H3* C 30 H3' C 30 10.249 25.656 -10.467
334 H1* C 30 H1' C 30 7.241 24.348 -12.637
335 1H4 C 30 1H4 C 30 3.170 21.653 -8.546
336 2H4 C 30 2H4 C 30 4.392 21.541 -7.290
337 H5 C 30 H5 C 30 6.673 22.332 -7.592
338 H6 C 30 H6 C 30 8.229 23.380 -9.148
339 H3T C 30 H3T C 30 9.800 27.478 -11.813
340 1H2* C 30 H2' C 30 8.136 25.484 -10.021
341 2H2* C 30 H2'' C 30 7.662 26.353 -11.510
Start of MODEL 15
1 1H5* G 1 H5'' G 1 -4.913 25.995 -11.177
2 2H5* G 1 H5' G 1 -6.120 24.884 -11.716
3 H4* G 1 H4' G 1 -4.072 24.704 -13.225
4 H3* G 1 H3' G 1 -4.862 22.339 -11.568
5 H1* G 1 H1' G 1 -1.263 23.582 -12.951
6 H8 G 1 H8 G 1 -2.093 22.266 -9.316
7 H1 G 1 H1 G 1 4.093 23.305 -10.601
8 1H2 G 1 1H2 G 1 4.345 24.088 -12.655
9 2H2 G 1 2H2 G 1 2.990 24.365 -13.734
10 H5T G 1 H5T G 1 -4.209 24.334 -9.680
11 1H2* G 1 H2' G 1 -2.826 21.576 -11.328
12 2H2* G 1 H2'' G 1 -2.620 21.411 -13.034
13 1H5* G 2 H5'' G 2 -3.258 22.408 -15.534
14 2H5* G 2 H5' G 2 -3.639 21.189 -16.768
15 H4* G 2 H4' G 2 -1.236 21.914 -16.790
16 H3* G 2 H3' G 2 -2.236 19.233 -16.792
17 H1* G 2 H1' G 2 1.052 20.518 -15.110
18 H8 G 2 H8 G 2 -1.895 19.415 -12.733
19 H1 G 2 H1 G 2 4.000 19.086 -10.232
20 1H2 G 2 1H2 G 2 5.489 19.674 -11.732
21 2H2 G 2 2H2 G 2 5.057 20.154 -13.360
22 1H2* G 2 H2' G 2 -1.128 18.462 -15.030
23 2H2* G 2 H2'' G 2 0.366 18.525 -16.014
24 1H5* G 3 H5'' G 3 2.596 19.181 -18.545
25 2H5* G 3 H5' G 3 2.197 18.066 -19.851
26 H4* G 3 H4' G 3 4.291 17.368 -18.669
27 H3* G 3 H3' G 3 1.975 15.677 -19.054
28 H1* G 3 H1' G 3 4.569 15.594 -16.242
29 H8 G 3 H8 G 3 0.919 16.036 -15.258
30 H1 G 3 H1 G 3 4.925 15.237 -10.317
31 1H2 G 3 1H2 G 3 6.996 15.184 -11.026
32 2H2 G 3 2H2 G 3 7.410 15.343 -12.734
33 1H2* G 3 H2' G 3 1.706 15.177 -16.933
34 2H2* G 3 H2'' G 3 3.119 14.080 -17.185
35 1H5* G 4 H5'' G 4 6.103 14.213 -18.001
36 2H5* G 4 H5' G 4 6.598 12.798 -18.950
37 H4* G 4 H4' G 4 7.586 12.804 -16.663
38 H3* G 4 H3' G 4 6.065 10.633 -17.866
39 H1* G 4 H1' G 4 6.590 11.622 -14.201
40 H8 G 4 H8 G 4 2.809 11.795 -15.334
41 H1 G 4 H1 G 4 3.684 11.259 -9.019
42 1H2 G 4 1H2 G 4 5.849 11.118 -8.537
43 2H2 G 4 2H2 G 4 7.079 11.158 -9.782
44 1H2* G 4 H2' G 4 4.776 10.175 -16.017
45 2H2* G 4 H2'' G 4 6.228 9.647 -15.234
46 1H5* T 5 H5'' T 5 9.458 10.545 -14.621
47 2H5* T 5 H5' T 5 10.502 9.210 -15.166
48 H4* T 5 H4' T 5 10.624 9.714 -12.698
49 H3* T 5 H3' T 5 10.695 7.288 -13.994
50 1H2* T 5 H2' T 5 8.494 6.665 -13.363
51 2H2* T 5 H2'' T 5 9.381 6.120 -11.873
52 H1* T 5 H1' T 5 9.019 8.032 -10.711
53 H3 T 5 H3 T 5 4.704 7.466 -9.220
54 1H5M T 5 1H7 T 5 3.041 7.469 -13.581
55 2H5M T 5 2H7 T 5 4.450 6.761 -14.426
56 3H5M T 5 3H7 T 5 4.256 8.518 -14.359
57 H6 T 5 H6 T 5 6.757 7.905 -13.548
58 1H5* G 6 H5'' G 6 10.395 8.017 -8.997
59 2H5* G 6 H5' G 6 11.918 7.114 -8.683
60 H4* G 6 H4' G 6 10.507 6.844 -6.648
61 H3* G 6 H3' G 6 11.182 4.680 -8.306
62 H1* G 6 H1' G 6 8.197 5.243 -6.175
63 H8 G 6 H8 G 6 7.307 5.090 -9.946
64 H1 G 6 H1 G 6 2.091 4.896 -6.300
65 1H2 G 6 1H2 G 6 2.709 5.090 -4.114
66 2H2 G 6 2H2 G 6 4.387 5.261 -3.640
67 1H2* G 6 H2' G 6 9.016 4.186 -8.807
68 2H2* G 6 H2'' G 6 9.049 3.426 -7.198
69 1H5* A 7 H5'' A 7 9.492 4.386 -3.828
70 2H5* A 7 H5' A 7 10.694 3.204 -3.221
71 H4* A 7 H4' A 7 8.559 2.854 -1.922
72 H3* A 7 H3' A 7 9.690 0.860 -3.545
73 H1* A 7 H1' A 7 6.057 1.498 -2.786
74 H8 A 7 H8 A 7 7.492 2.068 -6.274
75 1H6 A 7 1H6 A 7 1.621 1.957 -8.383
76 2H6 A 7 2H6 A 7 3.297 2.099 -8.856
77 H2 A 7 H2 A 7 1.582 1.496 -3.905
78 1H2* A 7 H2' A 7 8.045 0.617 -4.796
79 2H2* A 7 H2'' A 7 7.216 -0.264 -3.474
80 1H5* T 8 H5'' T 8 6.370 0.175 -0.512
81 2H5* T 8 H5' T 8 6.872 -1.188 0.465
82 H4* T 8 H4' T 8 4.454 -1.301 0.209
83 H3* T 8 H3' T 8 6.201 -3.353 -0.576
84 1H2* T 8 H2' T 8 5.763 -3.185 -2.753
85 2H2* T 8 H2'' T 8 4.282 -4.110 -2.516
86 H1* T 8 H1' T 8 2.878 -2.471 -2.063
87 H3 T 8 H3 T 8 1.639 -1.923 -6.440
88 1H5M T 8 1H7 T 8 6.683 -0.743 -6.410
89 2H5M T 8 2H7 T 8 6.212 -2.039 -7.572
90 3H5M T 8 3H7 T 8 6.804 -2.466 -5.909
91 H6 T 8 H6 T 8 5.785 -1.865 -4.059
92 1H5* T 9 H5'' T 9 1.530 -3.428 -0.547
93 2H5* T 9 H5' T 9 1.102 -4.930 0.282
94 H4* T 9 H4' T 9 -0.604 -4.368 -1.436
95 H3* T 9 H3' T 9 0.678 -6.824 -1.113
96 1H2* T 9 H2' T 9 1.940 -6.728 -2.992
97 2H2* T 9 H2'' T 9 0.633 -7.262 -3.908
98 H1* T 9 H1' T 9 -0.355 -5.401 -4.321
99 H3 T 9 H3 T 9 1.790 -4.370 -8.266
100 1H5M T 9 1H7 T 9 5.646 -4.363 -4.739
101 2H5M T 9 2H7 T 9 5.952 -5.008 -6.360
102 3H5M T 9 3H7 T 9 5.554 -6.107 -5.026
103 H6 T 9 H6 T 9 3.172 -5.409 -3.810
104 1H5* G 10 H5'' G 10 -3.569 -6.740 -3.567
105 2H5* G 10 H5' G 10 -4.318 -8.260 -3.022
106 H4* G 10 H4' G 10 -4.963 -7.674 -5.422
107 H3* G 10 H3' G 10 -3.861 -10.185 -4.498
108 H1* G 10 H1' G 10 -3.320 -8.570 -7.836
109 H8 G 10 H8 G 10 -0.456 -8.819 -5.246
110 H1 G 10 H1 G 10 1.711 -7.435 -11.125
111 1H2 G 10 1H2 G 10 -0.008 -7.253 -12.544
112 2H2 G 10 2H2 G 10 -1.660 -7.477 -12.010
113 1H2* G 10 H2' G 10 -2.087 -10.208 -5.793
114 2H2* G 10 H2'' G 10 -3.156 -10.602 -7.075
115 1H5* T 11 H5'' T 11 -5.978 -9.476 -8.812
116 2H5* T 11 H5' T 11 -7.072 -10.892 -8.748
117 H4* T 11 H4' T 11 -6.447 -10.560 -11.137
118 H3* T 11 H3' T 11 -5.971 -12.863 -9.722
119 1H2* T 11 H2' T 11 -3.811 -12.964 -10.246
120 2H2* T 11 H2'' T 11 -4.256 -13.243 -12.003
121 H1* T 11 H1' T 11 -3.943 -11.275 -12.618
122 H3 T 11 H3 T 11 0.632 -10.732 -12.567
123 1H5M T 11 1H7 T 11 0.899 -11.348 -8.031
124 2H5M T 11 2H7 T 11 -0.397 -12.537 -7.802
125 3H5M T 11 3H7 T 11 -0.700 -10.812 -7.474
126 H6 T 11 H6 T 11 -2.645 -11.600 -9.156
127 1H5* T 12 H5'' T 12 -5.885 -12.913 -14.050
128 2H5* T 12 H5' T 12 -6.485 -14.339 -14.818
129 H4* T 12 H4' T 12 -4.375 -13.640 -15.884
130 H3* T 12 H3' T 12 -4.887 -16.194 -14.713
131 1H2* T 12 H2' T 12 -3.065 -16.198 -13.558
132 2H2* T 12 H2'' T 12 -2.074 -16.577 -14.905
133 H1* T 12 H1' T 12 -1.637 -14.297 -15.380
134 H3 T 12 H3 T 12 1.890 -13.963 -12.544
135 1H5M T 12 1H7 T 12 -2.019 -15.816 -9.542
136 2H5M T 12 2H7 T 12 -2.150 -14.064 -9.239
137 3H5M T 12 3H7 T 12 -0.648 -14.929 -8.866
138 H6 T 12 H6 T 12 -2.807 -14.839 -12.025
139 1H5* C 13 H5'' C 13 -1.903 -16.370 -18.578
140 2H5* C 13 H5' C 13 -2.203 -17.923 -19.364
141 H4* C 13 H4' C 13 0.248 -17.433 -19.108
142 H3* C 13 H3' C 13 -1.057 -19.837 -18.713
143 H1* C 13 H1' C 13 1.963 -18.410 -16.627
144 1H4 C 13 1H4 C 13 1.669 -17.274 -10.430
145 2H4 C 13 2H4 C 13 -0.058 -17.630 -10.374
146 H5 C 13 H5 C 13 -1.330 -18.237 -12.344
147 H6 C 13 H6 C 13 -1.315 -18.618 -14.646
148 1H2* C 13 H2' C 13 -0.856 -19.710 -16.310
149 2H2* C 13 H2'' C 13 0.559 -20.624 -16.654
150 1H5* A 14 H5'' A 14 4.685 -19.535 -18.018
151 2H5* A 14 H5' A 14 4.458 -21.163 -18.694
152 H4* A 14 H4' A 14 5.981 -21.388 -16.841
153 H3* A 14 H3' A 14 3.174 -22.282 -16.501
154 H1* A 14 H1' A 14 6.111 -21.395 -14.076
155 H8 A 14 H8 A 14 2.402 -20.570 -13.651
156 1H6 A 14 1H6 A 14 4.015 -18.263 -8.117
157 2H6 A 14 2H6 A 14 2.678 -18.618 -9.206
158 H2 A 14 H2 A 14 7.742 -19.618 -10.350
159 1H2* A 14 H2' A 14 3.372 -22.333 -14.237
160 2H2* A 14 H2'' A 14 4.869 -23.213 -14.278
161 1H5* G 15 H5'' G 15 6.759 -24.164 -15.104
162 2H5* G 15 H5' G 15 6.954 -25.909 -15.416
163 H4* G 15 H4' G 15 7.986 -25.282 -13.272
164 H3* G 15 H3' G 15 5.937 -27.276 -13.602
165 H1* G 15 H1' G 15 6.978 -24.921 -10.560
166 H8 G 15 H8 G 15 3.312 -24.513 -11.930
167 H1 G 15 H1 G 15 4.344 -22.073 -6.092
168 1H2 G 15 1H2 G 15 6.446 -22.422 -5.483
169 2H2 G 15 2H2 G 15 7.596 -23.254 -6.508
170 H3T G 15 H3T G 15 7.397 -28.390 -12.247
171 1H2* G 15 H2' G 15 4.702 -26.586 -11.512
172 2H2* G 15 H2'' G 15 6.184 -27.095 -10.714
173 1H5* C 16 H5'' C 16 5.017 -20.746 2.593
174 2H5* C 16 H5' C 16 5.940 -19.245 2.883
175 H4* C 16 H4' C 16 7.196 -20.805 1.336
176 H3* C 16 H3' C 16 6.498 -18.045 0.890
177 H1* C 16 H1' C 16 6.926 -21.263 -1.647
178 1H4 C 16 1H4 C 16 2.039 -21.215 -5.753
179 2H4 C 16 2H4 C 16 0.973 -20.475 -4.556
180 H5 C 16 H5 C 16 1.721 -19.821 -2.347
181 H6 C 16 H6 C 16 3.674 -19.748 -0.818
182 H5T C 16 H5T C 16 3.847 -18.716 2.431
183 1H2* C 16 H2' C 16 5.806 -18.429 -1.422
184 2H2* C 16 H2'' C 16 7.499 -19.062 -1.842
185 1H5* T 17 H5'' T 17 10.111 -19.513 -1.707
186 2H5* T 17 H5' T 17 11.324 -18.253 -1.352
187 H4* T 17 H4' T 17 11.399 -18.865 -3.807
188 H3* T 17 H3' T 17 11.115 -16.272 -2.693
189 1H2* T 17 H2' T 17 9.110 -15.892 -3.690
190 2H2* T 17 H2'' T 17 10.118 -15.528 -5.125
191 H1* T 17 H1' T 17 9.824 -17.796 -6.027
192 H3 T 17 H3 T 17 5.781 -18.061 -7.946
193 1H5M T 17 1H7 T 17 4.590 -17.226 -2.892
194 2H5M T 17 2H7 T 17 3.565 -16.491 -4.140
195 3H5M T 17 3H7 T 17 4.858 -15.543 -3.379
196 H6 T 17 H6 T 17 7.203 -16.795 -3.537
197 1H5* G 18 H5'' G 18 11.929 -18.266 -7.819
198 2H5* G 18 H5' G 18 13.030 -16.930 -8.024
199 H4* G 18 H4' G 18 11.797 -17.366 -9.934
200 H3* G 18 H3' G 18 11.825 -14.813 -8.588
201 H1* G 18 H1' G 18 9.226 -16.182 -10.977
202 H8 G 18 H8 G 18 7.526 -15.328 -7.412
203 H1 G 18 H1 G 18 3.486 -16.884 -12.066
204 1H2 G 18 1H2 G 18 4.569 -17.396 -13.937
205 2H2 G 18 2H2 G 18 6.316 -17.356 -14.052
206 1H2* G 18 H2' G 18 9.681 -14.536 -8.484
207 2H2* G 18 H2'' G 18 9.800 -14.001 -10.153
208 1H5* A 19 H5'' A 19 11.898 -15.055 -13.505
209 2H5* A 19 H5' A 19 12.817 -13.583 -13.898
210 H4* A 19 H4' A 19 10.990 -14.153 -15.761
211 H3* A 19 H3' A 19 11.442 -11.593 -14.438
212 H1* A 19 H1' A 19 8.297 -13.270 -15.683
213 H8 A 19 H8 A 19 9.033 -12.926 -12.008
214 1H6 A 19 1H6 A 19 2.959 -13.615 -10.765
215 2H6 A 19 2H6 A 19 4.542 -13.400 -10.047
216 H2 A 19 H2 A 19 3.559 -13.689 -15.197
217 1H2* A 19 H2' A 19 9.444 -11.438 -13.658
218 2H2* A 19 H2'' A 19 8.981 -11.180 -15.383
219 1H5* A 20 H5'' A 20 9.126 -11.347 -18.556
220 2H5* A 20 H5' A 20 9.394 -9.739 -19.264
221 H4* A 20 H4' A 20 6.970 -10.507 -19.291
222 H3* A 20 H3' A 20 7.914 -7.871 -18.221
223 H1* A 20 H1' A 20 4.819 -10.039 -17.306
224 H8 A 20 H8 A 20 7.620 -9.085 -14.608
225 1H6 A 20 1H6 A 20 3.225 -10.239 -10.462
226 2H6 A 20 2H6 A 20 4.881 -9.762 -10.738
227 H2 A 20 H2 A 20 1.489 -10.896 -14.631
228 1H2* A 20 H2' A 20 6.651 -7.841 -16.584
229 2H2* A 20 H2'' A 20 5.224 -7.789 -17.606
230 1H5* C 21 H5'' C 21 3.737 -7.982 -20.002
231 2H5* C 21 H5' C 21 3.393 -6.429 -20.787
232 H4* C 21 H4' C 21 1.513 -7.129 -19.355
233 H3* C 21 H3' C 21 2.911 -4.615 -19.221
234 H1* C 21 H1' C 21 0.922 -6.733 -16.518
235 1H4 C 21 1H4 C 21 3.423 -7.079 -10.723
236 2H4 C 21 2H4 C 21 5.052 -6.724 -11.284
237 H5 C 21 H5 C 21 5.551 -6.315 -13.595
238 H6 C 21 H6 C 21 4.680 -6.158 -15.859
239 1H2* C 21 H2' C 21 3.147 -4.687 -16.822
240 2H2* C 21 H2'' C 21 1.334 -4.503 -16.859
241 1H5* A 22 H5'' A 22 -1.797 -5.301 -17.783
242 2H5* A 22 H5' A 22 -2.462 -3.717 -18.307
243 H4* A 22 H4' A 22 -3.621 -4.828 -16.251
244 H3* A 22 H3' A 22 -3.108 -2.114 -16.819
245 H1* A 22 H1' A 22 -2.923 -3.886 -13.544
246 H8 A 22 H8 A 22 0.343 -2.699 -15.146
247 1H6 A 22 1H6 A 22 3.240 -3.857 -9.691
248 2H6 A 22 2H6 A 22 3.487 -3.270 -11.326
249 H2 A 22 H2 A 22 -1.093 -4.910 -9.332
250 1H2* A 22 H2' A 22 -1.510 -1.919 -15.329
251 2H2* A 22 H2'' A 22 -2.855 -1.609 -14.196
252 1H5* A 23 H5'' A 23 -5.731 -4.015 -12.791
253 2H5* A 23 H5' A 23 -6.979 -2.793 -13.084
254 H4* A 23 H4' A 23 -6.804 -3.325 -10.527
255 H3* A 23 H3' A 23 -6.881 -0.819 -11.753
256 H1* A 23 H1' A 23 -4.832 -1.884 -8.767
257 H8 A 23 H8 A 23 -3.118 -1.145 -12.137
258 1H6 A 23 1H6 A 23 2.370 -1.331 -9.229
259 2H6 A 23 2H6 A 23 1.567 -1.052 -10.758
260 H2 A 23 H2 A 23 -0.877 -2.291 -6.261
261 1H2* A 23 H2' A 23 -4.787 -0.250 -11.202
262 2H2* A 23 H2'' A 23 -5.425 -0.036 -9.514
263 1H5* T 24 H5'' T 24 -7.064 -1.195 -6.872
264 2H5* T 24 H5' T 24 -8.141 0.110 -6.379
265 H4* T 24 H4' T 24 -6.431 -0.137 -4.827
266 H3* T 24 H3' T 24 -6.914 2.426 -6.077
267 1H2* T 24 H2' T 24 -4.559 2.811 -6.780
268 2H2* T 24 H2'' T 24 -4.332 2.887 -5.016
269 H1* T 24 H1' T 24 -3.291 0.861 -4.826
270 H3 T 24 H3 T 24 0.495 1.396 -7.103
271 1H5M T 24 1H7 T 24 -1.992 2.708 -10.915
272 2H5M T 24 2H7 T 24 -3.568 2.755 -10.042
273 3H5M T 24 3H7 T 24 -3.046 1.244 -10.881
274 H6 T 24 H6 T 24 -4.080 1.564 -8.435
275 1H5* C 25 H5'' C 25 -4.815 2.538 -1.951
276 2H5* C 25 H5' C 25 -5.527 3.941 -1.076
277 H4* C 25 H4' C 25 -3.133 3.510 -0.534
278 H3* C 25 H3' C 25 -4.157 6.028 -1.208
279 H1* C 25 H1' C 25 -0.647 4.656 -2.200
280 1H4 C 25 1H4 C 25 0.460 4.532 -8.468
281 2H4 C 25 2H4 C 25 -1.267 4.483 -8.826
282 H5 C 25 H5 C 25 -2.924 4.505 -7.144
283 H6 C 25 H6 C 25 -3.389 4.581 -4.697
284 1H2* C 25 H2' C 25 -3.063 6.154 -3.222
285 2H2* C 25 H2'' C 25 -1.704 6.783 -2.252
286 1H5* A 26 H5'' A 26 1.025 5.364 0.157
287 2H5* A 26 H5' A 26 0.714 6.676 1.294
288 H4* A 26 H4' A 26 2.969 6.882 0.411
289 H3* A 26 H3' A 26 0.953 8.913 0.087
290 H1* A 26 H1' A 26 3.971 8.175 -2.308
291 H8 A 26 H8 A 26 0.278 7.638 -3.526
292 1H6 A 26 1H6 A 26 2.699 7.535 -9.233
293 2H6 A 26 2H6 A 26 1.225 7.454 -8.294
294 H2 A 26 H2 A 26 6.060 8.007 -6.292
295 1H2* A 26 H2' A 26 1.147 9.166 -2.078
296 2H2* A 26 H2'' A 26 2.682 10.018 -1.739
297 1H5* C 27 H5'' C 27 5.248 9.119 -0.274
298 2H5* C 27 H5' C 27 6.109 10.505 0.428
299 H4* C 27 H4' C 27 7.270 9.629 -1.600
300 H3* C 27 H3' C 27 6.235 12.374 -1.309
301 H1* C 27 H1' C 27 6.858 10.179 -4.505
302 1H4 C 27 1H4 C 27 1.950 11.473 -8.439
303 2H4 C 27 2H4 C 27 0.856 11.662 -7.069
304 H5 C 27 H5 C 27 1.588 11.507 -4.743
305 H6 C 27 H6 C 27 3.515 11.142 -3.298
306 1H2* C 27 H2' C 27 5.721 12.707 -3.406
307 2H2* C 27 H2'' C 27 7.379 12.285 -3.939
308 1H5* C 28 H5'' C 28 9.984 12.006 -3.981
309 2H5* C 28 H5' C 28 11.112 13.228 -3.358
310 H4* C 28 H4' C 28 11.105 13.243 -5.859
311 H3* C 28 H3' C 28 10.654 15.539 -4.157
312 H1* C 28 H1' C 28 9.265 14.528 -7.886
313 1H4 C 28 1H4 C 28 3.019 15.308 -8.645
314 2H4 C 28 2H4 C 28 2.693 14.911 -6.960
315 H5 C 28 H5 C 28 4.408 14.439 -5.384
316 H6 C 28 H6 C 28 6.783 14.226 -5.014
317 1H2* C 28 H2' C 28 8.616 16.050 -5.295
318 2H2* C 28 H2'' C 28 9.641 16.587 -6.654
319 1H5* C 29 H5'' C 29 11.714 16.227 -8.655
320 2H5* C 29 H5' C 29 13.167 17.255 -8.374
321 H4* C 29 H4' C 29 12.185 18.063 -10.420
322 H3* C 29 H3' C 29 12.060 19.672 -7.994
323 H1* C 29 H1' C 29 9.524 19.543 -11.008
324 1H4 C 29 1H4 C 29 3.641 18.838 -8.499
325 2H4 C 29 2H4 C 29 4.333 18.418 -6.934
326 H5 C 29 H5 C 29 6.691 18.320 -6.481
327 H6 C 29 H6 C 29 8.928 18.604 -7.435
328 1H2* C 29 H2' C 29 10.011 20.425 -8.195
329 2H2* C 29 H2'' C 29 10.434 21.221 -9.727
330 1H5* C 30 H5'' C 30 12.111 21.785 -12.168
331 2H5* C 30 H5' C 30 13.074 23.269 -11.997
332 H4* C 30 H4' C 30 11.116 23.665 -13.458
333 H3* C 30 H3' C 30 11.508 25.034 -10.865
334 H1* C 30 H1' C 30 8.082 24.157 -12.641
335 1H4 C 30 1H4 C 30 4.661 22.211 -7.643
336 2H4 C 30 2H4 C 30 6.099 21.946 -6.672
337 H5 C 30 H5 C 30 8.347 22.396 -7.487
338 H6 C 30 H6 C 30 9.647 23.186 -9.388
339 H3T C 30 H3T C 30 10.946 25.919 -13.522
340 1H2* C 30 H2' C 30 9.417 25.528 -10.437
341 2H2* C 30 H2'' C 30 9.108 26.101 -12.100
Start of MODEL 16
1 1H5* G 1 H5'' G 1 -4.855 23.723 -14.458
2 2H5* G 1 H5' G 1 -5.805 22.365 -14.950
3 H4* G 1 H4' G 1 -3.611 22.452 -16.270
4 H3* G 1 H3' G 1 -4.173 20.108 -14.472
5 H1* G 1 H1' G 1 -0.585 21.815 -15.375
6 H8 G 1 H8 G 1 -2.064 20.264 -12.056
7 H1 G 1 H1 G 1 3.704 23.001 -11.548
8 1H2 G 1 1H2 G 1 4.295 23.930 -13.472
9 2H2 G 1 2H2 G 1 3.274 23.884 -14.894
10 H5T G 1 H5T G 1 -4.714 21.210 -13.152
11 1H2* G 1 H2' G 1 -2.071 19.546 -14.140
12 2H2* G 1 H2'' G 1 -1.725 19.586 -15.834
13 1H5* G 2 H5'' G 2 -2.318 20.136 -18.284
14 2H5* G 2 H5' G 2 -2.281 18.782 -19.434
15 H4* G 2 H4' G 2 -0.064 19.919 -19.171
16 H3* G 2 H3' G 2 -0.580 17.096 -18.958
17 H1* G 2 H1' G 2 2.103 19.194 -17.068
18 H8 G 2 H8 G 2 -0.896 17.820 -14.892
19 H1 G 2 H1 G 2 4.480 19.227 -11.691
20 1H2 G 2 1H2 G 2 6.040 19.921 -13.109
21 2H2 G 2 2H2 G 2 5.755 20.037 -14.833
22 1H2* G 2 H2' G 2 0.247 16.813 -16.917
23 2H2* G 2 H2'' G 2 1.873 16.933 -17.658
24 1H5* G 3 H5'' G 3 4.805 17.725 -19.850
25 2H5* G 3 H5' G 3 4.512 16.487 -21.068
26 H4* G 3 H4' G 3 6.511 15.926 -19.612
27 H3* G 3 H3' G 3 4.286 14.187 -20.137
28 H1* G 3 H1' G 3 6.378 14.388 -16.922
29 H8 G 3 H8 G 3 2.606 14.818 -16.593
30 H1 G 3 H1 G 3 5.748 15.400 -11.043
31 1H2 G 3 1H2 G 3 7.941 15.381 -11.413
32 2H2 G 3 2H2 G 3 8.619 15.223 -13.036
33 1H2* G 3 H2' G 3 3.654 13.932 -18.048
34 2H2* G 3 H2'' G 3 5.054 12.806 -17.940
35 1H5* G 4 H5'' G 4 8.207 12.606 -18.348
36 2H5* G 4 H5' G 4 8.634 11.053 -19.088
37 H4* G 4 H4' G 4 9.303 11.149 -16.700
38 H3* G 4 H3' G 4 7.529 9.127 -17.882
39 H1* G 4 H1' G 4 7.912 10.490 -14.280
40 H8 G 4 H8 G 4 4.301 10.781 -15.879
41 H1 G 4 H1 G 4 4.511 11.384 -9.522
42 1H2 G 4 1H2 G 4 6.589 11.158 -8.783
43 2H2 G 4 2H2 G 4 7.936 10.857 -9.860
44 1H2* G 4 H2' G 4 6.149 8.927 -16.042
45 2H2* G 4 H2'' G 4 7.521 8.444 -15.108
46 1H5* T 5 H5'' T 5 10.539 8.784 -14.611
47 2H5* T 5 H5' T 5 11.548 7.340 -14.872
48 H4* T 5 H4' T 5 11.438 8.116 -12.481
49 H3* T 5 H3' T 5 11.409 5.543 -13.452
50 1H2* T 5 H2' T 5 9.104 5.169 -12.981
51 2H2* T 5 H2'' T 5 9.791 4.814 -11.333
52 H1* T 5 H1' T 5 9.418 6.893 -10.506
53 H3 T 5 H3 T 5 4.932 7.045 -9.603
54 1H5M T 5 1H7 T 5 3.854 6.486 -14.120
55 2H5M T 5 2H7 T 5 5.242 5.478 -14.629
56 3H5M T 5 3H7 T 5 5.296 7.232 -14.853
57 H6 T 5 H6 T 5 7.557 6.501 -13.601
58 1H5* G 6 H5'' G 6 10.764 6.950 -8.794
59 2H5* G 6 H5' G 6 12.175 6.034 -8.151
60 H4* G 6 H4' G 6 10.566 6.245 -6.257
61 H3* G 6 H3' G 6 11.174 3.768 -7.455
62 H1* G 6 H1' G 6 8.089 4.962 -5.766
63 H8 G 6 H8 G 6 7.496 4.127 -9.511
64 H1 G 6 H1 G 6 2.014 4.931 -6.349
65 1H2 G 6 1H2 G 6 2.467 5.527 -4.223
66 2H2 G 6 2H2 G 6 4.108 5.712 -3.638
67 1H2* G 6 H2' G 6 9.027 3.372 -8.071
68 2H2* G 6 H2'' G 6 8.853 2.917 -6.352
69 1H5* A 7 H5'' A 7 8.980 4.253 -3.159
70 2H5* A 7 H5' A 7 10.088 3.111 -2.331
71 H4* A 7 H4' A 7 7.877 2.912 -1.192
72 H3* A 7 H3' A 7 9.010 0.768 -2.603
73 H1* A 7 H1' A 7 5.385 1.586 -2.130
74 H8 A 7 H8 A 7 7.011 1.876 -5.592
75 1H6 A 7 1H6 A 7 1.260 1.863 -7.983
76 2H6 A 7 2H6 A 7 2.963 1.888 -8.374
77 H2 A 7 H2 A 7 0.968 1.770 -3.491
78 1H2* A 7 H2' A 7 7.455 0.554 -3.981
79 2H2* A 7 H2'' A 7 6.476 -0.250 -2.699
80 1H5* T 8 H5'' T 8 5.354 0.044 0.030
81 2H5* T 8 H5' T 8 5.935 -1.189 1.121
82 H4* T 8 H4' T 8 3.604 -1.676 0.655
83 H3* T 8 H3' T 8 5.677 -3.462 -0.023
84 1H2* T 8 H2' T 8 5.336 -3.399 -2.224
85 2H2* T 8 H2'' T 8 3.958 -4.443 -2.074
86 H1* T 8 H1' T 8 2.346 -2.931 -1.753
87 H3 T 8 H3 T 8 1.429 -2.308 -6.191
88 1H5M T 8 1H7 T 8 6.375 -0.795 -5.725
89 2H5M T 8 2H7 T 8 6.116 -2.111 -6.939
90 3H5M T 8 3H7 T 8 6.591 -2.512 -5.229
91 H6 T 8 H6 T 8 5.369 -2.052 -3.477
92 1H5* T 9 H5'' T 9 1.186 -4.270 0.018
93 2H5* T 9 H5' T 9 0.906 -5.867 0.736
94 H4* T 9 H4' T 9 -0.820 -5.391 -0.959
95 H3* T 9 H3' T 9 0.817 -7.678 -0.821
96 1H2* T 9 H2' T 9 1.913 -7.376 -2.765
97 2H2* T 9 H2'' T 9 0.574 -7.904 -3.640
98 H1* T 9 H1' T 9 -0.537 -6.099 -3.909
99 H3 T 9 H3 T 9 1.487 -4.772 -7.833
100 1H5M T 9 1H7 T 9 5.291 -4.563 -4.220
101 2H5M T 9 2H7 T 9 5.680 -4.954 -5.904
102 3H5M T 9 3H7 T 9 5.416 -6.255 -4.724
103 H6 T 9 H6 T 9 2.954 -5.825 -3.405
104 1H5* G 10 H5'' G 10 -3.279 -8.022 -3.052
105 2H5* G 10 H5' G 10 -3.969 -9.613 -2.654
106 H4* G 10 H4' G 10 -4.552 -8.944 -4.983
107 H3* G 10 H3' G 10 -3.127 -11.377 -4.261
108 H1* G 10 H1' G 10 -2.882 -9.427 -7.460
109 H8 G 10 H8 G 10 0.112 -9.628 -5.049
110 H1 G 10 H1 G 10 1.706 -7.551 -10.905
111 1H2 G 10 1H2 G 10 -0.103 -7.430 -12.181
112 2H2 G 10 2H2 G 10 -1.683 -7.865 -11.565
113 1H2* G 10 H2' G 10 -1.422 -11.113 -5.615
114 2H2* G 10 H2'' G 10 -2.480 -11.503 -6.910
115 1H5* T 11 H5'' T 11 -5.428 -10.509 -8.374
116 2H5* T 11 H5' T 11 -6.406 -12.005 -8.430
117 H4* T 11 H4' T 11 -5.943 -11.327 -10.786
118 H3* T 11 H3' T 11 -5.241 -13.760 -9.724
119 1H2* T 11 H2' T 11 -3.034 -13.614 -10.366
120 2H2* T 11 H2'' T 11 -3.632 -13.713 -12.083
121 H1* T 11 H1' T 11 -3.516 -11.670 -12.480
122 H3 T 11 H3 T 11 1.006 -10.816 -12.660
123 1H5M T 11 1H7 T 11 0.241 -12.994 -7.915
124 2H5M T 11 2H7 T 11 0.132 -11.255 -7.554
125 3H5M T 11 3H7 T 11 1.623 -11.929 -8.240
126 H6 T 11 H6 T 11 -1.994 -12.202 -9.152
127 1H5* T 12 H5'' T 12 -5.514 -12.885 -14.192
128 2H5* T 12 H5' T 12 -6.189 -14.244 -15.021
129 H4* T 12 H4' T 12 -4.432 -13.191 -16.393
130 H3* T 12 H3' T 12 -4.572 -15.923 -15.635
131 1H2* T 12 H2' T 12 -2.587 -15.928 -14.732
132 2H2* T 12 H2'' T 12 -1.841 -16.126 -16.256
133 H1* T 12 H1' T 12 -1.568 -13.771 -16.549
134 H3 T 12 H3 T 12 2.454 -13.721 -14.369
135 1H5M T 12 1H7 T 12 -0.899 -15.981 -10.979
136 2H5M T 12 2H7 T 12 0.618 -15.215 -10.473
137 3H5M T 12 3H7 T 12 -0.887 -14.274 -10.450
138 H6 T 12 H6 T 12 -2.092 -14.756 -13.096
139 1H5* C 13 H5'' C 13 -1.768 -15.170 -19.781
140 2H5* C 13 H5' C 13 -2.255 -16.588 -20.711
141 H4* C 13 H4' C 13 0.232 -16.197 -20.764
142 H3* C 13 H3' C 13 -1.100 -18.605 -20.527
143 H1* C 13 H1' C 13 2.236 -17.560 -18.681
144 1H4 C 13 1H4 C 13 2.726 -17.305 -12.392
145 2H4 C 13 2H4 C 13 1.004 -17.644 -12.188
146 H5 C 13 H5 C 13 -0.492 -17.941 -14.043
147 H6 C 13 H6 C 13 -0.776 -17.998 -16.339
148 1H2* C 13 H2' C 13 -0.573 -18.845 -18.194
149 2H2* C 13 H2'' C 13 0.758 -19.715 -18.858
150 1H5* A 14 H5'' A 14 4.621 -18.456 -20.658
151 2H5* A 14 H5' A 14 4.304 -19.969 -21.521
152 H4* A 14 H4' A 14 6.104 -20.396 -19.983
153 H3* A 14 H3' A 14 3.403 -21.464 -19.375
154 H1* A 14 H1' A 14 6.645 -20.829 -17.294
155 H8 A 14 H8 A 14 3.025 -20.207 -16.199
156 1H6 A 14 1H6 A 14 5.482 -18.649 -10.699
157 2H6 A 14 2H6 A 14 3.987 -18.891 -11.597
158 H2 A 14 H2 A 14 8.810 -19.535 -13.658
159 1H2* A 14 H2' A 14 3.919 -21.830 -17.186
160 2H2* A 14 H2'' A 14 5.404 -22.644 -17.574
161 1H5* G 15 H5'' G 15 7.239 -23.407 -18.782
162 2H5* G 15 H5' G 15 7.355 -25.056 -19.464
163 H4* G 15 H4' G 15 8.742 -24.875 -17.454
164 H3* G 15 H3' G 15 6.523 -26.716 -17.725
165 H1* G 15 H1' G 15 8.317 -24.966 -14.614
166 H8 G 15 H8 G 15 4.469 -24.326 -15.130
167 H1 G 15 H1 G 15 6.687 -23.069 -9.255
168 1H2 G 15 1H2 G 15 8.845 -23.521 -9.129
169 2H2 G 15 2H2 G 15 9.762 -24.137 -10.492
170 H3T G 15 H3T G 15 8.669 -27.175 -18.166
171 1H2* G 15 H2' G 15 5.850 -26.463 -15.305
172 2H2* G 15 H2'' G 15 7.454 -27.094 -14.978
173 1H5* C 16 H5'' C 16 7.990 -22.849 -0.847
174 2H5* C 16 H5' C 16 8.954 -21.380 -0.538
175 H4* C 16 H4' C 16 9.965 -22.790 -2.404
176 H3* C 16 H3' C 16 9.317 -19.991 -2.425
177 H1* C 16 H1' C 16 9.254 -22.871 -5.363
178 1H4 C 16 1H4 C 16 3.761 -22.119 -8.568
179 2H4 C 16 2H4 C 16 2.936 -21.564 -7.108
180 H5 C 16 H5 C 16 4.048 -21.272 -5.009
181 H6 C 16 H6 C 16 6.224 -21.453 -3.826
182 H5T C 16 H5T C 16 7.464 -20.238 -1.811
183 1H2* C 16 H2' C 16 8.282 -20.063 -4.651
184 2H2* C 16 H2'' C 16 9.882 -20.679 -5.376
185 1H5* T 17 H5'' T 17 12.459 -21.060 -5.725
186 2H5* T 17 H5' T 17 13.754 -19.898 -5.326
187 H4* T 17 H4' T 17 13.460 -20.065 -7.836
188 H3* T 17 H3' T 17 13.463 -17.711 -6.258
189 1H2* T 17 H2' T 17 11.358 -17.116 -6.835
190 2H2* T 17 H2'' T 17 12.129 -16.514 -8.343
191 H1* T 17 H1' T 17 11.584 -18.581 -9.566
192 H3 T 17 H3 T 17 7.268 -18.502 -10.770
193 1H5M T 17 1H7 T 17 5.777 -17.561 -6.458
194 2H5M T 17 2H7 T 17 7.200 -16.728 -5.803
195 3H5M T 17 3H7 T 17 6.985 -18.468 -5.519
196 H6 T 17 H6 T 17 9.444 -17.973 -6.519
197 1H5* G 18 H5'' G 18 13.293 -18.614 -11.855
198 2H5* G 18 H5' G 18 14.418 -17.271 -11.883
199 H4* G 18 H4' G 18 12.883 -17.058 -13.551
200 H3* G 18 H3' G 18 13.059 -15.128 -11.380
201 H1* G 18 H1' G 18 10.168 -15.834 -13.803
202 H8 G 18 H8 G 18 9.019 -15.893 -9.936
203 H1 G 18 H1 G 18 4.383 -16.699 -14.226
204 1H2 G 18 1H2 G 18 5.206 -16.764 -16.305
205 2H2 G 18 2H2 G 18 6.917 -16.606 -16.640
206 1H2* G 18 H2' G 18 10.956 -14.811 -11.071
207 2H2* G 18 H2'' G 18 10.918 -13.921 -12.578
208 1H5* A 19 H5'' A 19 12.454 -13.900 -16.066
209 2H5* A 19 H5' A 19 13.181 -12.280 -16.109
210 H4* A 19 H4' A 19 11.100 -12.517 -17.776
211 H3* A 19 H3' A 19 11.680 -10.411 -15.819
212 H1* A 19 H1' A 19 8.417 -11.958 -17.038
213 H8 A 19 H8 A 19 9.755 -12.305 -13.522
214 1H6 A 19 1H6 A 19 4.037 -13.830 -11.566
215 2H6 A 19 2H6 A 19 5.694 -13.584 -11.063
216 H2 A 19 H2 A 19 3.887 -13.050 -15.969
217 1H2* A 19 H2' A 19 9.759 -10.512 -14.837
218 2H2* A 19 H2'' A 19 9.080 -9.939 -16.399
219 1H5* A 20 H5'' A 20 8.967 -9.662 -19.345
220 2H5* A 20 H5' A 20 8.940 -7.984 -19.925
221 H4* A 20 H4' A 20 6.658 -9.059 -19.821
222 H3* A 20 H3' A 20 7.351 -6.453 -18.517
223 H1* A 20 H1' A 20 4.659 -9.102 -17.647
224 H8 A 20 H8 A 20 7.584 -8.233 -15.058
225 1H6 A 20 1H6 A 20 3.701 -10.340 -10.787
226 2H6 A 20 2H6 A 20 5.280 -9.677 -11.121
227 H2 A 20 H2 A 20 1.645 -10.589 -14.848
228 1H2* A 20 H2' A 20 6.321 -6.821 -16.757
229 2H2* A 20 H2'' A 20 4.789 -6.788 -17.639
230 1H5* C 21 H5'' C 21 3.102 -6.999 -19.958
231 2H5* C 21 H5' C 21 2.476 -5.437 -20.521
232 H4* C 21 H4' C 21 0.836 -6.536 -19.058
233 H3* C 21 H3' C 21 1.953 -3.894 -18.712
234 H1* C 21 H1' C 21 0.426 -6.523 -16.168
235 1H4 C 21 1H4 C 21 3.364 -7.035 -10.571
236 2H4 C 21 2H4 C 21 4.893 -6.456 -11.193
237 H5 C 21 H5 C 21 5.187 -5.814 -13.506
238 H6 C 21 H6 C 21 4.142 -5.580 -15.691
239 1H2* C 21 H2' C 21 2.371 -4.205 -16.355
240 2H2* C 21 H2'' C 21 0.547 -4.258 -16.261
241 1H5* A 22 H5'' A 22 -2.575 -5.301 -17.048
242 2H5* A 22 H5' A 22 -3.342 -3.740 -17.487
243 H4* A 22 H4' A 22 -4.414 -4.981 -15.478
244 H3* A 22 H3' A 22 -3.972 -2.231 -15.936
245 H1* A 22 H1' A 22 -3.683 -4.146 -12.736
246 H8 A 22 H8 A 22 -0.504 -2.751 -14.334
247 1H6 A 22 1H6 A 22 2.592 -4.013 -9.019
248 2H6 A 22 2H6 A 22 2.742 -3.353 -10.632
249 H2 A 22 H2 A 22 -1.713 -5.271 -8.589
250 1H2* A 22 H2' A 22 -2.360 -2.066 -14.468
251 2H2* A 22 H2'' A 22 -3.691 -1.809 -13.298
252 1H5* A 23 H5'' A 23 -6.516 -4.273 -11.771
253 2H5* A 23 H5' A 23 -7.683 -2.989 -12.115
254 H4* A 23 H4' A 23 -7.598 -3.348 -9.577
255 H3* A 23 H3' A 23 -7.372 -0.930 -10.967
256 H1* A 23 H1' A 23 -5.539 -2.021 -7.847
257 H8 A 23 H8 A 23 -3.659 -1.618 -11.166
258 1H6 A 23 1H6 A 23 1.687 -1.970 -7.968
259 2H6 A 23 2H6 A 23 0.990 -1.717 -9.550
260 H2 A 23 H2 A 23 -1.753 -2.608 -5.141
261 1H2* A 23 H2' A 23 -5.269 -0.540 -10.371
262 2H2* A 23 H2'' A 23 -5.908 -0.177 -8.702
263 1H5* T 24 H5'' T 24 -7.718 -0.703 -6.169
264 2H5* T 24 H5' T 24 -8.652 0.755 -5.829
265 H4* T 24 H4' T 24 -6.935 0.519 -4.281
266 H3* T 24 H3' T 24 -7.209 2.946 -5.845
267 1H2* T 24 H2' T 24 -4.847 3.060 -6.554
268 2H2* T 24 H2'' T 24 -4.560 3.302 -4.807
269 H1* T 24 H1' T 24 -3.731 1.200 -4.403
270 H3 T 24 H3 T 24 0.080 1.293 -6.676
271 1H5M T 24 1H7 T 24 -2.306 2.376 -10.614
272 2H5M T 24 2H7 T 24 -3.902 2.547 -9.789
273 3H5M T 24 3H7 T 24 -3.405 0.941 -10.472
274 H6 T 24 H6 T 24 -4.472 1.587 -8.059
275 1H5* C 25 H5'' C 25 -5.093 3.702 -1.704
276 2H5* C 25 H5' C 25 -5.872 5.233 -1.177
277 H4* C 25 H4' C 25 -3.493 5.036 -0.488
278 H3* C 25 H3' C 25 -4.528 7.297 -1.768
279 H1* C 25 H1' C 25 -0.973 5.838 -2.245
280 1H4 C 25 1H4 C 25 0.540 4.254 -8.234
281 2H4 C 25 2H4 C 25 -1.160 4.053 -8.675
282 H5 C 25 H5 C 25 -2.960 4.417 -7.122
283 H6 C 25 H6 C 25 -3.552 5.055 -4.798
284 1H2* C 25 H2' C 25 -3.370 6.927 -3.727
285 2H2* C 25 H2'' C 25 -2.074 7.839 -2.907
286 1H5* A 26 H5'' A 26 0.805 7.174 -0.238
287 2H5* A 26 H5' A 26 0.345 8.689 0.555
288 H4* A 26 H4' A 26 2.574 8.945 -0.408
289 H3* A 26 H3' A 26 0.260 10.465 -1.409
290 H1* A 26 H1' A 26 3.661 9.517 -3.135
291 H8 A 26 H8 A 26 0.098 8.890 -4.648
292 1H6 A 26 1H6 A 26 3.075 7.243 -9.844
293 2H6 A 26 2H6 A 26 1.511 7.500 -9.108
294 H2 A 26 H2 A 26 6.140 8.139 -6.691
295 1H2* A 26 H2' A 26 0.901 10.574 -3.482
296 2H2* A 26 H2'' A 26 2.405 11.413 -3.024
297 1H5* C 27 H5'' C 27 4.321 11.018 -0.756
298 2H5* C 27 H5' C 27 4.993 12.523 -0.097
299 H4* C 27 H4' C 27 6.677 11.266 -1.430
300 H3* C 27 H3' C 27 5.834 14.016 -1.903
301 H1* C 27 H1' C 27 6.981 11.382 -4.652
302 1H4 C 27 1H4 C 27 2.569 12.090 -9.247
303 2H4 C 27 2H4 C 27 1.398 12.725 -8.088
304 H5 C 27 H5 C 27 1.890 13.044 -5.744
305 H6 C 27 H6 C 27 3.617 12.821 -4.013
306 1H2* C 27 H2' C 27 5.779 14.022 -4.104
307 2H2* C 27 H2'' C 27 7.481 13.464 -4.168
308 1H5* C 28 H5'' C 28 10.058 13.472 -3.822
309 2H5* C 28 H5' C 28 10.940 14.856 -3.147
310 H4* C 28 H4' C 28 11.290 14.680 -5.611
311 H3* C 28 H3' C 28 10.492 17.036 -4.157
312 H1* C 28 H1' C 28 9.663 15.740 -7.939
313 1H4 C 28 1H4 C 28 3.538 15.644 -9.674
314 2H4 C 28 2H4 C 28 2.999 15.559 -7.996
315 H5 C 28 H5 C 28 4.471 15.548 -6.166
316 H6 C 28 H6 C 28 6.772 15.612 -5.426
317 1H2* C 28 H2' C 28 8.468 17.196 -5.494
318 2H2* C 28 H2'' C 28 9.539 17.872 -6.748
319 1H5* C 29 H5'' C 29 11.854 17.766 -8.739
320 2H5* C 29 H5' C 29 13.138 18.934 -8.249
321 H4* C 29 H4' C 29 12.361 19.782 -10.347
322 H3* C 29 H3' C 29 11.481 21.171 -7.908
323 H1* C 29 H1' C 29 9.565 20.800 -11.354
324 1H4 C 29 1H4 C 29 3.699 18.974 -9.610
325 2H4 C 29 2H4 C 29 4.171 18.885 -7.910
326 H5 C 29 H5 C 29 6.410 19.362 -7.125
327 H6 C 29 H6 C 29 8.663 20.022 -7.799
328 1H2* C 29 H2' C 29 9.513 21.834 -8.588
329 2H2* C 29 H2'' C 29 10.185 22.565 -10.067
330 1H5* C 30 H5'' C 30 11.958 23.872 -11.654
331 2H5* C 30 H5' C 30 12.462 25.494 -11.130
332 H4* C 30 H4' C 30 10.565 25.598 -12.752
333 H3* C 30 H3' C 30 10.411 26.598 -9.963
334 H1* C 30 H1' C 30 7.610 25.313 -12.397
335 1H4 C 30 1H4 C 30 3.747 21.985 -8.573
336 2H4 C 30 2H4 C 30 4.868 22.088 -7.223
337 H5 C 30 H5 C 30 7.022 23.224 -7.379
338 H6 C 30 H6 C 30 8.508 24.477 -8.863
339 H3T C 30 H3T C 30 9.994 28.546 -11.162
340 1H2* C 30 H2' C 30 8.256 26.449 -9.744
341 2H2* C 30 H2'' C 30 7.920 27.296 -11.277
Start of MODEL 17
1 1H5* G 1 H5'' G 1 -5.652 24.408 -11.690
2 2H5* G 1 H5' G 1 -6.678 23.221 -12.414
3 H4* G 1 H4' G 1 -4.540 23.488 -13.797
4 H3* G 1 H3' G 1 -5.116 20.855 -12.474
5 H1* G 1 H1' G 1 -1.595 22.655 -13.370
6 H8 G 1 H8 G 1 -2.600 20.563 -10.164
7 H1 G 1 H1 G 1 3.306 23.034 -10.175
8 1H2 G 1 1H2 G 1 3.635 24.267 -11.979
9 2H2 G 1 2H2 G 1 2.405 24.496 -13.206
10 H5T G 1 H5T G 1 -6.332 22.961 -10.138
11 1H2* G 1 H2' G 1 -3.030 20.252 -12.268
12 2H2* G 1 H2'' G 1 -2.706 20.435 -13.941
13 1H5* G 2 H5'' G 2 -3.285 21.470 -16.258
14 2H5* G 2 H5' G 2 -3.432 20.334 -17.616
15 H4* G 2 H4' G 2 -1.105 21.180 -17.345
16 H3* G 2 H3' G 2 -1.893 18.408 -17.425
17 H1* G 2 H1' G 2 1.096 20.012 -15.492
18 H8 G 2 H8 G 2 -1.881 18.489 -13.406
19 H1 G 2 H1 G 2 3.673 19.131 -10.267
20 1H2 G 2 1H2 G 2 5.206 19.973 -11.619
21 2H2 G 2 2H2 G 2 4.872 20.379 -13.289
22 1H2* G 2 H2' G 2 -0.915 17.765 -15.557
23 2H2* G 2 H2'' G 2 0.661 17.911 -16.406
24 1H5* G 3 H5'' G 3 3.124 18.684 -18.835
25 2H5* G 3 H5' G 3 2.834 17.492 -20.098
26 H4* G 3 H4' G 3 4.908 16.940 -18.799
27 H3* G 3 H3' G 3 2.654 15.143 -19.153
28 H1* G 3 H1' G 3 5.160 15.322 -16.238
29 H8 G 3 H8 G 3 1.432 15.614 -15.496
30 H1 G 3 H1 G 3 5.158 15.583 -10.292
31 1H2 G 3 1H2 G 3 7.308 15.621 -10.909
32 2H2 G 3 2H2 G 3 7.791 15.653 -12.608
33 1H2* G 3 H2' G 3 2.365 14.702 -17.031
34 2H2* G 3 H2'' G 3 3.872 13.697 -17.198
35 1H5* G 4 H5'' G 4 6.848 13.710 -17.990
36 2H5* G 4 H5' G 4 7.289 12.317 -18.990
37 H4* G 4 H4' G 4 8.306 12.186 -16.736
38 H3* G 4 H3' G 4 6.617 10.130 -17.914
39 H1* G 4 H1' G 4 7.259 11.074 -14.232
40 H8 G 4 H8 G 4 3.506 11.437 -15.418
41 H1 G 4 H1 G 4 4.274 11.294 -9.085
42 1H2 G 4 1H2 G 4 6.414 11.063 -8.554
43 2H2 G 4 2H2 G 4 7.670 10.942 -9.767
44 1H2* G 4 H2' G 4 5.342 9.728 -16.021
45 2H2* G 4 H2'' G 4 6.788 9.145 -15.277
46 1H5* T 5 H5'' T 5 9.903 9.744 -14.717
47 2H5* T 5 H5' T 5 10.885 8.329 -15.162
48 H4* T 5 H4' T 5 10.911 8.910 -12.713
49 H3* T 5 H3' T 5 10.880 6.417 -13.879
50 1H2* T 5 H2' T 5 8.620 5.951 -13.297
51 2H2* T 5 H2'' T 5 9.417 5.464 -11.729
52 H1* T 5 H1' T 5 9.094 7.450 -10.710
53 H3 T 5 H3 T 5 4.686 7.372 -9.462
54 1H5M T 5 1H7 T 5 3.278 7.283 -13.920
55 2H5M T 5 2H7 T 5 4.577 6.244 -14.578
56 3H5M T 5 3H7 T 5 4.698 8.007 -14.721
57 H6 T 5 H6 T 5 7.016 7.285 -13.680
58 1H5* G 6 H5'' G 6 10.425 7.439 -8.957
59 2H5* G 6 H5' G 6 11.943 6.542 -8.571
60 H4* G 6 H4' G 6 10.517 6.422 -6.537
61 H3* G 6 H3' G 6 11.136 4.145 -8.053
62 H1* G 6 H1' G 6 8.141 4.941 -6.013
63 H8 G 6 H8 G 6 7.291 4.522 -9.782
64 H1 G 6 H1 G 6 2.004 4.993 -6.232
65 1H2 G 6 1H2 G 6 2.604 5.372 -4.059
66 2H2 G 6 2H2 G 6 4.281 5.496 -3.568
67 1H2* G 6 H2' G 6 8.968 3.723 -8.585
68 2H2* G 6 H2'' G 6 8.914 3.024 -6.931
69 1H5* A 7 H5'' A 7 9.222 4.118 -3.551
70 2H5* A 7 H5' A 7 10.411 2.915 -2.949
71 H4* A 7 H4' A 7 8.291 2.536 -1.665
72 H3* A 7 H3' A 7 9.297 0.602 -3.488
73 H1* A 7 H1' A 7 5.709 1.340 -2.484
74 H8 A 7 H8 A 7 7.130 1.926 -6.001
75 1H6 A 7 1H6 A 7 1.281 2.141 -8.081
76 2H6 A 7 2H6 A 7 2.960 2.199 -8.526
77 H2 A 7 H2 A 7 1.203 1.620 -3.589
78 1H2* A 7 H2' A 7 7.549 0.384 -4.588
79 2H2* A 7 H2'' A 7 6.761 -0.446 -3.189
80 1H5* T 8 H5'' T 8 6.349 -0.196 -0.465
81 2H5* T 8 H5' T 8 6.790 -1.541 0.526
82 H4* T 8 H4' T 8 4.370 -1.600 0.272
83 H3* T 8 H3' T 8 6.068 -3.713 -0.480
84 1H2* T 8 H2' T 8 5.649 -3.551 -2.675
85 2H2* T 8 H2'' T 8 4.175 -4.433 -2.440
86 H1* T 8 H1' T 8 2.782 -2.754 -2.012
87 H3 T 8 H3 T 8 1.612 -2.130 -6.421
88 1H5M T 8 1H7 T 8 6.795 -2.847 -5.754
89 2H5M T 8 2H7 T 8 6.699 -1.146 -6.395
90 3H5M T 8 3H7 T 8 6.226 -2.534 -7.468
91 H6 T 8 H6 T 8 5.736 -2.259 -3.968
92 1H5* T 9 H5'' T 9 1.418 -3.928 -0.266
93 2H5* T 9 H5' T 9 1.012 -5.475 0.504
94 H4* T 9 H4' T 9 -0.695 -4.871 -1.188
95 H3* T 9 H3' T 9 0.679 -7.313 -0.960
96 1H2* T 9 H2' T 9 1.843 -7.176 -2.873
97 2H2* T 9 H2'' T 9 0.494 -7.637 -3.749
98 H1* T 9 H1' T 9 -0.452 -5.739 -4.118
99 H3 T 9 H3 T 9 1.644 -4.675 -8.037
100 1H5M T 9 1H7 T 9 5.446 -6.613 -5.059
101 2H5M T 9 2H7 T 9 5.513 -4.964 -4.427
102 3H5M T 9 3H7 T 9 5.840 -5.260 -6.141
103 H6 T 9 H6 T 9 3.061 -5.841 -3.615
104 1H5* G 10 H5'' G 10 -3.477 -7.221 -3.390
105 2H5* G 10 H5' G 10 -4.222 -8.775 -2.957
106 H4* G 10 H4' G 10 -4.830 -8.062 -5.302
107 H3* G 10 H3' G 10 -3.677 -10.603 -4.539
108 H1* G 10 H1' G 10 -3.239 -8.808 -7.778
109 H8 G 10 H8 G 10 -0.298 -9.066 -5.330
110 H1 G 10 H1 G 10 1.594 -7.552 -11.262
111 1H2 G 10 1H2 G 10 -0.189 -7.393 -12.598
112 2H2 G 10 2H2 G 10 -1.811 -7.663 -11.997
113 1H2* G 10 H2' G 10 -1.900 -10.478 -5.831
114 2H2* G 10 H2'' G 10 -2.968 -10.861 -7.135
115 1H5* T 11 H5'' T 11 -5.719 -9.831 -8.863
116 2H5* T 11 H5' T 11 -6.797 -11.266 -8.872
117 H4* T 11 H4' T 11 -6.067 -10.875 -11.215
118 H3* T 11 H3' T 11 -5.625 -13.206 -9.834
119 1H2* T 11 H2' T 11 -3.429 -13.201 -10.206
120 2H2* T 11 H2'' T 11 -3.785 -13.530 -12.005
121 H1* T 11 H1' T 11 -3.560 -11.573 -12.626
122 H3 T 11 H3 T 11 0.997 -10.891 -12.598
123 1H5M T 11 1H7 T 11 -0.367 -10.953 -7.502
124 2H5M T 11 2H7 T 11 1.272 -11.390 -8.033
125 3H5M T 11 3H7 T 11 0.047 -12.655 -7.793
126 H6 T 11 H6 T 11 -2.266 -11.816 -9.168
127 1H5* T 12 H5'' T 12 -5.318 -13.156 -14.288
128 2H5* T 12 H5' T 12 -5.954 -14.603 -14.986
129 H4* T 12 H4' T 12 -3.849 -13.993 -16.111
130 H3* T 12 H3' T 12 -4.399 -16.479 -14.817
131 1H2* T 12 H2' T 12 -2.587 -16.458 -13.656
132 2H2* T 12 H2'' T 12 -1.596 -16.920 -14.972
133 H1* T 12 H1' T 12 -1.114 -14.683 -15.577
134 H3 T 12 H3 T 12 2.388 -14.220 -12.758
135 1H5M T 12 1H7 T 12 -0.182 -15.153 -9.047
136 2H5M T 12 2H7 T 12 -1.669 -15.858 -9.710
137 3H5M T 12 3H7 T 12 -1.557 -14.101 -9.417
138 H6 T 12 H6 T 12 -2.321 -15.063 -12.212
139 1H5* C 13 H5'' C 13 -1.504 -16.948 -18.621
140 2H5* C 13 H5' C 13 -1.780 -18.541 -19.334
141 H4* C 13 H4' C 13 0.649 -18.019 -19.077
142 H3* C 13 H3' C 13 -0.614 -20.424 -18.492
143 H1* C 13 H1' C 13 2.411 -18.731 -16.582
144 1H4 C 13 1H4 C 13 2.189 -17.156 -10.482
145 2H4 C 13 2H4 C 13 0.469 -17.564 -10.380
146 H5 C 13 H5 C 13 -0.802 -18.358 -12.289
147 H6 C 13 H6 C 13 -0.807 -18.909 -14.540
148 1H2* C 13 H2' C 13 -0.334 -20.147 -16.107
149 2H2* C 13 H2'' C 13 1.126 -21.004 -16.450
150 1H5* A 14 H5'' A 14 5.094 -19.552 -18.040
151 2H5* A 14 H5' A 14 5.027 -21.208 -18.650
152 H4* A 14 H4' A 14 6.622 -21.169 -16.856
153 H3* A 14 H3' A 14 3.970 -22.435 -16.421
154 H1* A 14 H1' A 14 6.806 -21.114 -14.097
155 H8 A 14 H8 A 14 3.057 -20.703 -13.505
156 1H6 A 14 1H6 A 14 4.792 -17.986 -8.158
157 2H6 A 14 2H6 A 14 3.414 -18.524 -9.115
158 H2 A 14 H2 A 14 8.456 -19.015 -10.610
159 1H2* A 14 H2' A 14 4.165 -22.335 -14.163
160 2H2* A 14 H2'' A 14 5.743 -23.060 -14.188
161 1H5* G 15 H5'' G 15 7.896 -23.723 -15.136
162 2H5* G 15 H5' G 15 8.329 -25.430 -15.368
163 H4* G 15 H4' G 15 9.376 -24.527 -13.322
164 H3* G 15 H3' G 15 7.553 -26.790 -13.407
165 H1* G 15 H1' G 15 8.551 -24.127 -10.607
166 H8 G 15 H8 G 15 4.766 -24.402 -11.639
167 H1 G 15 H1 G 15 5.871 -21.692 -5.938
168 1H2 G 15 1H2 G 15 8.054 -21.681 -5.519
169 2H2 G 15 2H2 G 15 9.228 -22.338 -6.639
170 H3T G 15 H3T G 15 9.765 -26.946 -13.533
171 1H2* G 15 H2' G 15 6.523 -26.201 -11.185
172 2H2* G 15 H2'' G 15 8.150 -26.413 -10.566
173 1H5* C 16 H5'' C 16 6.712 -19.871 2.566
174 2H5* C 16 H5' C 16 7.587 -18.327 2.763
175 H4* C 16 H4' C 16 8.821 -19.850 1.190
176 H3* C 16 H3' C 16 7.919 -17.169 0.668
177 H1* C 16 H1' C 16 8.412 -20.448 -1.747
178 1H4 C 16 1H4 C 16 3.324 -21.089 -5.517
179 2H4 C 16 2H4 C 16 2.251 -20.425 -4.272
180 H5 C 16 H5 C 16 3.059 -19.597 -2.140
181 H6 C 16 H6 C 16 5.104 -19.238 -0.754
182 H5T C 16 H5T C 16 5.378 -18.013 2.433
183 1H2* C 16 H2' C 16 7.047 -17.716 -1.565
184 2H2* C 16 H2'' C 16 8.768 -18.226 -2.104
185 1H5* T 17 H5'' T 17 11.461 -18.562 -2.199
186 2H5* T 17 H5' T 17 12.575 -17.189 -1.950
187 H4* T 17 H4' T 17 12.572 -17.908 -4.386
188 H3* T 17 H3' T 17 12.150 -15.293 -3.361
189 1H2* T 17 H2' T 17 10.076 -15.086 -4.266
190 2H2* T 17 H2'' T 17 10.981 -14.750 -5.783
191 H1* T 17 H1' T 17 10.755 -17.086 -6.540
192 H3 T 17 H3 T 17 6.569 -17.664 -8.105
193 1H5M T 17 1H7 T 17 5.724 -16.800 -3.016
194 2H5M T 17 2H7 T 17 4.599 -16.093 -4.194
195 3H5M T 17 3H7 T 17 5.905 -15.103 -3.510
196 H6 T 17 H6 T 17 8.283 -16.156 -3.863
197 1H5* G 18 H5'' G 18 12.717 -17.536 -8.516
198 2H5* G 18 H5' G 18 13.745 -16.149 -8.794
199 H4* G 18 H4' G 18 12.394 -16.568 -10.600
200 H3* G 18 H3' G 18 12.283 -14.081 -9.096
201 H1* G 18 H1' G 18 9.698 -15.617 -11.443
202 H8 G 18 H8 G 18 8.124 -14.814 -7.805
203 H1 G 18 H1 G 18 3.999 -16.853 -12.211
204 1H2 G 18 1H2 G 18 5.046 -17.340 -14.118
205 2H2 G 18 2H2 G 18 6.776 -17.161 -14.313
206 1H2* G 18 H2' G 18 10.142 -13.883 -9.003
207 2H2* G 18 H2'' G 18 10.193 -13.395 -10.685
208 1H5* A 19 H5'' A 19 12.214 -14.227 -14.053
209 2H5* A 19 H5' A 19 13.002 -12.654 -14.355
210 H4* A 19 H4' A 19 11.240 -13.268 -16.253
211 H3* A 19 H3' A 19 11.470 -10.780 -14.727
212 H1* A 19 H1' A 19 8.491 -12.644 -16.155
213 H8 A 19 H8 A 19 9.172 -12.409 -12.455
214 1H6 A 19 1H6 A 19 3.184 -13.629 -11.276
215 2H6 A 19 2H6 A 19 4.736 -13.313 -10.559
216 H2 A 19 H2 A 19 3.792 -13.505 -15.722
217 1H2* A 19 H2' A 19 9.417 -10.847 -13.990
218 2H2* A 19 H2'' A 19 8.949 -10.517 -15.709
219 1H5* A 20 H5'' A 20 9.256 -10.470 -18.780
220 2H5* A 20 H5' A 20 9.389 -8.845 -19.485
221 H4* A 20 H4' A 20 7.046 -9.840 -19.508
222 H3* A 20 H3' A 20 7.719 -7.098 -18.537
223 H1* A 20 H1' A 20 4.877 -9.499 -17.464
224 H8 A 20 H8 A 20 7.687 -8.408 -14.823
225 1H6 A 20 1H6 A 20 3.492 -10.078 -10.617
226 2H6 A 20 2H6 A 20 5.098 -9.451 -10.892
227 H2 A 20 H2 A 20 1.729 -10.733 -14.759
228 1H2* A 20 H2' A 20 6.648 -7.203 -16.776
229 2H2* A 20 H2'' A 20 5.148 -7.208 -17.713
230 1H5* C 21 H5'' C 21 3.481 -7.675 -20.120
231 2H5* C 21 H5' C 21 2.920 -6.162 -20.854
232 H4* C 21 H4' C 21 1.225 -7.105 -19.326
233 H3* C 21 H3' C 21 2.285 -4.433 -19.274
234 H1* C 21 H1' C 21 0.738 -6.743 -16.498
235 1H4 C 21 1H4 C 21 3.427 -6.950 -10.798
236 2H4 C 21 2H4 C 21 5.004 -6.418 -11.370
237 H5 C 21 H5 C 21 5.402 -5.908 -13.711
238 H6 C 21 H6 C 21 4.457 -5.794 -15.946
239 1H2* C 21 H2' C 21 2.773 -4.514 -16.907
240 2H2* C 21 H2'' C 21 0.956 -4.449 -16.787
241 1H5* A 22 H5'' A 22 -2.422 -5.644 -17.313
242 2H5* A 22 H5' A 22 -3.057 -4.056 -17.850
243 H4* A 22 H4' A 22 -4.156 -5.001 -15.732
244 H3* A 22 H3' A 22 -3.425 -2.340 -16.415
245 H1* A 22 H1' A 22 -3.406 -4.051 -13.080
246 H8 A 22 H8 A 22 -0.143 -3.140 -14.731
247 1H6 A 22 1H6 A 22 2.824 -4.217 -9.291
248 2H6 A 22 2H6 A 22 3.039 -3.728 -10.949
249 H2 A 22 H2 A 22 -1.600 -4.986 -8.802
250 1H2* A 22 H2' A 22 -1.874 -2.175 -14.885
251 2H2* A 22 H2'' A 22 -3.232 -1.794 -13.771
252 1H5* A 23 H5'' A 23 -6.253 -3.950 -12.335
253 2H5* A 23 H5' A 23 -7.356 -2.613 -12.697
254 H4* A 23 H4' A 23 -7.275 -3.033 -10.130
255 H3* A 23 H3' A 23 -7.038 -0.592 -11.509
256 H1* A 23 H1' A 23 -5.248 -1.717 -8.377
257 H8 A 23 H8 A 23 -3.378 -1.247 -11.701
258 1H6 A 23 1H6 A 23 1.995 -1.633 -8.569
259 2H6 A 23 2H6 A 23 1.275 -1.367 -10.135
260 H2 A 23 H2 A 23 -1.409 -2.294 -5.693
261 1H2* A 23 H2' A 23 -4.949 -0.178 -10.846
262 2H2* A 23 H2'' A 23 -5.642 0.114 -9.177
263 1H5* T 24 H5'' T 24 -7.535 -0.617 -6.705
264 2H5* T 24 H5' T 24 -8.492 0.813 -6.306
265 H4* T 24 H4' T 24 -6.844 0.442 -4.689
266 H3* T 24 H3' T 24 -7.120 2.975 -6.037
267 1H2* T 24 H2' T 24 -4.733 3.186 -6.690
268 2H2* T 24 H2'' T 24 -4.487 3.296 -4.930
269 H1* T 24 H1' T 24 -3.621 1.179 -4.661
270 H3 T 24 H3 T 24 0.209 1.442 -6.844
271 1H5M T 24 1H7 T 24 -3.670 2.993 -9.914
272 2H5M T 24 2H7 T 24 -3.295 1.397 -10.695
273 3H5M T 24 3H7 T 24 -2.078 2.753 -10.777
274 H6 T 24 H6 T 24 -4.315 1.847 -8.303
275 1H5* C 25 H5'' C 25 -4.983 3.284 -1.863
276 2H5* C 25 H5' C 25 -5.702 4.763 -1.134
277 H4* C 25 H4' C 25 -3.305 4.420 -0.556
278 H3* C 25 H3' C 25 -4.345 6.834 -1.532
279 H1* C 25 H1' C 25 -0.816 5.372 -2.294
280 1H4 C 25 1H4 C 25 0.387 4.579 -8.497
281 2H4 C 25 2H4 C 25 -1.343 4.474 -8.867
282 H5 C 25 H5 C 25 -3.016 4.674 -7.210
283 H6 C 25 H6 C 25 -3.511 5.024 -4.795
284 1H2* C 25 H2' C 25 -3.206 6.752 -3.518
285 2H2* C 25 H2'' C 25 -1.868 7.483 -2.595
286 1H5* A 26 H5'' A 26 0.993 6.026 -0.031
287 2H5* A 26 H5' A 26 0.615 7.421 0.979
288 H4* A 26 H4' A 26 2.874 7.628 0.050
289 H3* A 26 H3' A 26 0.733 9.540 -0.399
290 H1* A 26 H1' A 26 3.864 8.762 -2.645
291 H8 A 26 H8 A 26 0.197 8.457 -4.019
292 1H6 A 26 1H6 A 26 2.859 7.631 -9.565
293 2H6 A 26 2H6 A 26 1.342 7.796 -8.716
294 H2 A 26 H2 A 26 6.104 7.925 -6.482
295 1H2* A 26 H2' A 26 1.045 9.801 -2.548
296 2H2* A 26 H2'' A 26 2.582 10.630 -2.175
297 1H5* C 27 H5'' C 27 5.078 9.799 -0.315
298 2H5* C 27 H5' C 27 5.812 11.253 0.391
299 H4* C 27 H4' C 27 7.263 10.255 -1.383
300 H3* C 27 H3' C 27 6.158 12.991 -1.430
301 H1* C 27 H1' C 27 7.112 10.623 -4.450
302 1H4 C 27 1H4 C 27 2.323 11.741 -8.565
303 2H4 C 27 2H4 C 27 1.225 12.158 -7.245
304 H5 C 27 H5 C 27 1.903 12.198 -4.931
305 H6 C 27 H6 C 27 3.787 11.846 -3.387
306 1H2* C 27 H2' C 27 5.922 13.197 -3.596
307 2H2* C 27 H2'' C 27 7.620 12.700 -3.889
308 1H5* C 28 H5'' C 28 10.126 12.820 -3.764
309 2H5* C 28 H5' C 28 11.086 14.140 -3.068
310 H4* C 28 H4' C 28 11.197 14.137 -5.562
311 H3* C 28 H3' C 28 10.589 16.409 -3.866
312 H1* C 28 H1' C 28 9.378 15.373 -7.644
313 1H4 C 28 1H4 C 28 3.090 15.706 -8.665
314 2H4 C 28 2H4 C 28 2.742 15.382 -6.965
315 H5 C 28 H5 C 28 4.406 15.091 -5.339
316 H6 C 28 H6 C 28 6.764 15.021 -4.860
317 1H2* C 28 H2' C 28 8.505 16.777 -5.046
318 2H2* C 28 H2'' C 28 9.514 17.426 -6.364
319 1H5* C 29 H5'' C 29 11.585 17.401 -8.343
320 2H5* C 29 H5' C 29 12.926 18.564 -8.007
321 H4* C 29 H4' C 29 11.814 19.472 -9.917
322 H3* C 29 H3' C 29 11.445 20.770 -7.338
323 H1* C 29 H1' C 29 9.032 20.584 -10.427
324 1H4 C 29 1H4 C 29 3.205 18.664 -8.570
325 2H4 C 29 2H4 C 29 3.798 18.287 -6.950
326 H5 C 29 H5 C 29 6.095 18.578 -6.258
327 H6 C 29 H6 C 29 8.317 19.291 -6.965
328 1H2* C 29 H2' C 29 9.292 21.133 -7.477
329 2H2* C 29 H2'' C 29 9.544 22.226 -8.850
330 1H5* C 30 H5'' C 30 11.460 23.815 -11.036
331 2H5* C 30 H5' C 30 12.105 25.335 -10.375
332 H4* C 30 H4' C 30 10.125 25.760 -11.812
333 H3* C 30 H3' C 30 10.263 26.426 -8.948
334 H1* C 30 H1' C 30 7.121 25.508 -11.172
335 1H4 C 30 1H4 C 30 3.742 21.549 -7.463
336 2H4 C 30 2H4 C 30 5.064 21.380 -6.321
337 H5 C 30 H5 C 30 7.203 22.496 -6.602
338 H6 C 30 H6 C 30 8.499 23.990 -8.029
339 H3T C 30 H3T C 30 9.372 27.850 -11.259
340 1H2* C 30 H2' C 30 8.169 26.104 -8.455
341 2H2* C 30 H2'' C 30 7.619 27.234 -9.724
Start of MODEL 18
1 1H5* G 1 H5'' G 1 -6.602 25.002 -10.447
2 2H5* G 1 H5' G 1 -7.593 23.888 -11.301
3 H4* G 1 H4' G 1 -5.337 24.158 -12.511
4 H3* G 1 H3' G 1 -6.108 21.492 -11.439
5 H1* G 1 H1' G 1 -2.515 23.220 -12.040
6 H8 G 1 H8 G 1 -3.542 21.428 -8.663
7 H1 G 1 H1 G 1 2.546 23.354 -9.085
8 1H2 G 1 1H2 G 1 2.908 24.385 -11.020
9 2H2 G 1 2H2 G 1 1.649 24.602 -12.217
10 H5T G 1 H5T G 1 -7.589 23.223 -9.222
11 1H2* G 1 H2' G 1 -4.075 20.972 -10.773
12 2H2* G 1 H2'' G 1 -3.535 20.879 -12.411
13 1H5* G 2 H5'' G 2 -3.660 22.400 -14.862
14 2H5* G 2 H5' G 2 -3.904 21.444 -16.337
15 H4* G 2 H4' G 2 -1.536 22.150 -16.028
16 H3* G 2 H3' G 2 -2.429 19.518 -16.577
17 H1* G 2 H1' G 2 0.633 20.627 -14.463
18 H8 G 2 H8 G 2 -2.263 18.960 -12.390
19 H1 G 2 H1 G 2 3.435 19.232 -9.443
20 1H2 G 2 1H2 G 2 4.916 20.185 -10.776
21 2H2 G 2 2H2 G 2 4.516 20.755 -12.381
22 1H2* G 2 H2' G 2 -1.643 18.605 -14.680
23 2H2* G 2 H2'' G 2 -0.068 18.550 -15.529
24 1H5* G 3 H5'' G 3 2.956 20.385 -17.357
25 2H5* G 3 H5' G 3 2.728 19.416 -18.808
26 H4* G 3 H4' G 3 4.834 18.776 -17.554
27 H3* G 3 H3' G 3 2.785 16.935 -18.386
28 H1* G 3 H1' G 3 5.080 16.714 -15.359
29 H8 G 3 H8 G 3 1.351 16.676 -14.635
30 H1 G 3 H1 G 3 4.945 15.918 -9.408
31 1H2 G 3 1H2 G 3 7.110 16.175 -9.946
32 2H2 G 3 2H2 G 3 7.626 16.530 -11.594
33 1H2* G 3 H2' G 3 2.301 16.233 -16.336
34 2H2* G 3 H2'' G 3 3.776 15.215 -16.542
35 1H5* G 4 H5'' G 4 7.084 15.429 -16.996
36 2H5* G 4 H5' G 4 7.526 14.198 -18.196
37 H4* G 4 H4' G 4 8.450 13.690 -15.962
38 H3* G 4 H3' G 4 6.767 11.910 -17.529
39 H1* G 4 H1' G 4 7.301 12.195 -13.755
40 H8 G 4 H8 G 4 3.523 12.761 -14.851
41 H1 G 4 H1 G 4 4.343 11.778 -8.599
42 1H2 G 4 1H2 G 4 6.486 11.490 -8.120
43 2H2 G 4 2H2 G 4 7.738 11.538 -9.342
44 1H2* G 4 H2' G 4 5.387 11.252 -15.793
45 2H2* G 4 H2'' G 4 6.762 10.467 -15.096
46 1H5* T 5 H5'' T 5 9.930 10.926 -14.361
47 2H5* T 5 H5' T 5 10.900 9.627 -15.100
48 H4* T 5 H4' T 5 11.031 9.697 -12.589
49 H3* T 5 H3' T 5 10.868 7.511 -14.244
50 1H2* T 5 H2' T 5 8.590 6.995 -13.662
51 2H2* T 5 H2'' T 5 9.454 6.196 -12.266
52 H1* T 5 H1' T 5 9.230 7.935 -10.844
53 H3 T 5 H3 T 5 4.856 7.836 -9.428
54 1H5M T 5 1H7 T 5 4.613 9.505 -14.402
55 2H5M T 5 2H7 T 5 3.290 8.487 -13.787
56 3H5M T 5 3H7 T 5 4.639 7.766 -14.716
57 H6 T 5 H6 T 5 7.032 8.440 -13.678
58 1H5* G 6 H5'' G 6 10.804 7.481 -9.399
59 2H5* G 6 H5' G 6 12.228 6.407 -9.135
60 H4* G 6 H4' G 6 10.776 6.214 -7.093
61 H3* G 6 H3' G 6 11.300 4.080 -8.813
62 H1* G 6 H1' G 6 8.350 4.816 -6.707
63 H8 G 6 H8 G 6 7.464 4.872 -10.489
64 H1 G 6 H1 G 6 2.192 5.066 -6.919
65 1H2 G 6 1H2 G 6 2.761 5.167 -4.741
66 2H2 G 6 2H2 G 6 4.431 5.184 -4.216
67 1H2* G 6 H2' G 6 9.100 3.888 -9.407
68 2H2* G 6 H2'' G 6 8.974 2.971 -7.859
69 1H5* A 7 H5'' A 7 9.519 3.875 -4.417
70 2H5* A 7 H5' A 7 10.653 2.617 -3.842
71 H4* A 7 H4' A 7 8.498 2.452 -2.457
72 H3* A 7 H3' A 7 9.531 0.350 -3.989
73 H1* A 7 H1' A 7 5.955 1.187 -3.256
74 H8 A 7 H8 A 7 7.398 1.687 -6.761
75 1H6 A 7 1H6 A 7 1.510 1.734 -8.851
76 2H6 A 7 2H6 A 7 3.185 1.821 -9.339
77 H2 A 7 H2 A 7 1.460 1.317 -4.379
78 1H2* A 7 H2' A 7 7.903 0.235 -5.286
79 2H2* A 7 H2'' A 7 7.005 -0.635 -3.979
80 1H5* T 8 H5'' T 8 6.044 -0.011 -0.869
81 2H5* T 8 H5' T 8 6.546 -1.388 0.102
82 H4* T 8 H4' T 8 4.071 -1.354 -0.131
83 H3* T 8 H3' T 8 5.753 -3.522 -0.719
84 1H2* T 8 H2' T 8 5.395 -3.517 -2.903
85 2H2* T 8 H2'' T 8 3.840 -4.330 -2.703
86 H1* T 8 H1' T 8 2.515 -2.619 -2.380
87 H3 T 8 H3 T 8 1.589 -2.125 -6.904
88 1H5M T 8 1H7 T 8 6.284 -2.624 -7.680
89 2H5M T 8 2H7 T 8 6.675 -3.030 -5.963
90 3H5M T 8 3H7 T 8 6.742 -1.328 -6.508
91 H6 T 8 H6 T 8 5.553 -2.285 -4.257
92 1H5* T 9 H5'' T 9 1.064 -3.706 -0.577
93 2H5* T 9 H5' T 9 0.690 -5.235 0.242
94 H4* T 9 H4' T 9 -1.033 -4.710 -1.477
95 H3* T 9 H3' T 9 0.352 -7.122 -1.161
96 1H2* T 9 H2' T 9 1.553 -7.044 -3.061
97 2H2* T 9 H2'' T 9 0.232 -7.547 -4.005
98 H1* T 9 H1' T 9 -0.777 -5.700 -4.353
99 H3 T 9 H3 T 9 1.244 -4.479 -8.274
100 1H5M T 9 1H7 T 9 5.474 -5.193 -6.499
101 2H5M T 9 2H7 T 9 5.092 -6.441 -5.306
102 3H5M T 9 3H7 T 9 5.210 -4.754 -4.805
103 H6 T 9 H6 T 9 2.756 -5.731 -3.919
104 1H5* G 10 H5'' G 10 -3.917 -7.489 -3.353
105 2H5* G 10 H5' G 10 -4.562 -9.048 -2.783
106 H4* G 10 H4' G 10 -5.205 -8.572 -5.192
107 H3* G 10 H3' G 10 -3.862 -10.959 -4.199
108 H1* G 10 H1' G 10 -3.569 -9.394 -7.597
109 H8 G 10 H8 G 10 -0.597 -9.399 -5.123
110 H1 G 10 H1 G 10 1.236 -7.856 -11.073
111 1H2 G 10 1H2 G 10 -0.551 -7.800 -12.430
112 2H2 G 10 2H2 G 10 -2.159 -8.147 -11.830
113 1H2* G 10 H2' G 10 -2.145 -10.889 -5.566
114 2H2* G 10 H2'' G 10 -3.240 -11.385 -6.807
115 1H5* T 11 H5'' T 11 -5.992 -10.855 -8.321
116 2H5* T 11 H5' T 11 -6.957 -12.365 -8.387
117 H4* T 11 H4' T 11 -6.081 -11.950 -10.704
118 H3* T 11 H3' T 11 -5.526 -14.217 -9.228
119 1H2* T 11 H2' T 11 -3.330 -14.069 -9.653
120 2H2* T 11 H2'' T 11 -3.660 -14.362 -11.450
121 H1* T 11 H1' T 11 -3.586 -12.357 -12.013
122 H3 T 11 H3 T 11 0.933 -11.446 -11.917
123 1H5M T 11 1H7 T 11 -0.422 -11.602 -6.844
124 2H5M T 11 2H7 T 11 1.192 -12.136 -7.357
125 3H5M T 11 3H7 T 11 -0.098 -13.331 -7.116
126 H6 T 11 H6 T 11 -2.305 -12.617 -8.563
127 1H5* T 12 H5'' T 12 -5.316 -14.026 -13.646
128 2H5* T 12 H5' T 12 -5.800 -15.492 -14.428
129 H4* T 12 H4' T 12 -3.805 -14.536 -15.552
130 H3* T 12 H3' T 12 -4.076 -17.169 -14.487
131 1H2* T 12 H2' T 12 -2.244 -17.085 -13.333
132 2H2* T 12 H2'' T 12 -1.227 -17.315 -14.684
133 H1* T 12 H1' T 12 -0.993 -15.000 -15.120
134 H3 T 12 H3 T 12 2.503 -14.448 -12.247
135 1H5M T 12 1H7 T 12 -1.338 -14.916 -8.885
136 2H5M T 12 2H7 T 12 0.069 -15.971 -8.684
137 3H5M T 12 3H7 T 12 -1.426 -16.634 -9.363
138 H6 T 12 H6 T 12 -2.092 -15.755 -11.784
139 1H5* C 13 H5'' C 13 -1.109 -16.883 -18.315
140 2H5* C 13 H5' C 13 -1.203 -18.418 -19.182
141 H4* C 13 H4' C 13 1.161 -17.629 -18.879
142 H3* C 13 H3' C 13 0.200 -20.205 -18.586
143 H1* C 13 H1' C 13 3.028 -18.398 -16.492
144 1H4 C 13 1H4 C 13 2.698 -17.580 -10.243
145 2H4 C 13 2H4 C 13 1.037 -18.180 -10.193
146 H5 C 13 H5 C 13 -0.162 -18.877 -12.170
147 H6 C 13 H6 C 13 -0.129 -19.167 -14.472
148 1H2* C 13 H2' C 13 0.438 -20.132 -16.181
149 2H2* C 13 H2'' C 13 1.946 -20.840 -16.578
150 1H5* A 14 H5'' A 14 5.810 -18.797 -18.061
151 2H5* A 14 H5' A 14 5.880 -20.396 -18.826
152 H4* A 14 H4' A 14 7.505 -20.376 -17.040
153 H3* A 14 H3' A 14 4.970 -21.895 -16.706
154 H1* A 14 H1' A 14 7.768 -20.579 -14.321
155 H8 A 14 H8 A 14 3.989 -20.569 -13.720
156 1H6 A 14 1H6 A 14 5.353 -18.381 -8.080
157 2H6 A 14 2H6 A 14 4.061 -18.919 -9.146
158 H2 A 14 H2 A 14 9.169 -18.794 -10.510
159 1H2* A 14 H2' A 14 5.267 -22.044 -14.466
160 2H2* A 14 H2'' A 14 6.919 -22.597 -14.611
161 1H5* G 15 H5'' G 15 8.955 -23.092 -15.546
162 2H5* G 15 H5' G 15 9.453 -24.745 -16.012
163 H4* G 15 H4' G 15 10.450 -24.109 -13.853
164 H3* G 15 H3' G 15 8.694 -26.382 -14.233
165 H1* G 15 H1' G 15 9.639 -24.075 -11.129
166 H8 G 15 H8 G 15 5.860 -24.207 -12.205
167 H1 G 15 H1 G 15 6.850 -22.209 -6.208
168 1H2 G 15 1H2 G 15 9.027 -22.243 -5.739
169 2H2 G 15 2H2 G 15 10.228 -22.755 -6.904
170 H3T G 15 H3T G 15 11.146 -25.922 -12.900
171 1H2* G 15 H2' G 15 7.596 -26.039 -11.997
172 2H2* G 15 H2'' G 15 9.208 -26.352 -11.359
173 1H5* C 16 H5'' C 16 6.991 -21.672 2.251
174 2H5* C 16 H5' C 16 7.539 -20.009 2.619
175 H4* C 16 H4' C 16 9.056 -21.156 0.905
176 H3* C 16 H3' C 16 7.728 -18.576 0.731
177 H1* C 16 H1' C 16 8.739 -21.451 -2.081
178 1H4 C 16 1H4 C 16 3.715 -21.889 -5.982
179 2H4 C 16 2H4 C 16 2.588 -21.436 -4.696
180 H5 C 16 H5 C 16 3.333 -20.845 -2.465
181 H6 C 16 H6 C 16 5.315 -20.572 -1.013
182 H5T C 16 H5T C 16 5.521 -20.760 0.781
183 1H2* C 16 H2' C 16 7.163 -18.879 -1.617
184 2H2* C 16 H2'' C 16 8.950 -19.183 -2.065
185 1H5* T 17 H5'' T 17 11.579 -19.052 -1.719
186 2H5* T 17 H5' T 17 12.543 -17.610 -1.282
187 H4* T 17 H4' T 17 12.807 -18.173 -3.789
188 H3* T 17 H3' T 17 12.261 -15.693 -2.600
189 1H2* T 17 H2' T 17 10.140 -15.597 -3.474
190 2H2* T 17 H2'' T 17 11.006 -14.969 -4.921
191 H1* T 17 H1' T 17 11.091 -17.200 -5.963
192 H3 T 17 H3 T 17 7.094 -18.007 -7.887
193 1H5M T 17 1H7 T 17 5.840 -17.605 -2.803
194 2H5M T 17 2H7 T 17 4.722 -16.965 -4.028
195 3H5M T 17 3H7 T 17 5.864 -15.876 -3.215
196 H6 T 17 H6 T 17 8.365 -16.748 -3.435
197 1H5* G 18 H5'' G 18 13.189 -17.221 -7.809
198 2H5* G 18 H5' G 18 14.016 -15.698 -7.997
199 H4* G 18 H4' G 18 12.813 -16.335 -9.857
200 H3* G 18 H3' G 18 12.482 -13.824 -8.461
201 H1* G 18 H1' G 18 10.086 -15.516 -10.798
202 H8 G 18 H8 G 18 8.313 -15.116 -7.175
203 H1 G 18 H1 G 18 4.443 -16.927 -11.886
204 1H2 G 18 1H2 G 18 5.572 -17.169 -13.813
205 2H2 G 18 2H2 G 18 7.294 -16.877 -13.921
206 1H2* G 18 H2' G 18 10.348 -13.966 -8.220
207 2H2* G 18 H2'' G 18 10.262 -13.289 -9.853
208 1H5* A 19 H5'' A 19 12.457 -13.926 -13.475
209 2H5* A 19 H5' A 19 13.149 -12.308 -13.746
210 H4* A 19 H4' A 19 11.377 -13.009 -15.678
211 H3* A 19 H3' A 19 11.424 -10.520 -14.086
212 H1* A 19 H1' A 19 8.673 -12.637 -15.589
213 H8 A 19 H8 A 19 9.304 -12.499 -11.892
214 1H6 A 19 1H6 A 19 3.409 -14.103 -10.699
215 2H6 A 19 2H6 A 19 4.955 -13.746 -9.967
216 H2 A 19 H2 A 19 3.943 -13.694 -15.125
217 1H2* A 19 H2' A 19 9.397 -10.755 -13.390
218 2H2* A 19 H2'' A 19 8.943 -10.479 -15.122
219 1H5* A 20 H5'' A 20 9.258 -10.399 -18.239
220 2H5* A 20 H5' A 20 9.327 -8.761 -18.924
221 H4* A 20 H4' A 20 7.059 -9.912 -19.130
222 H3* A 20 H3' A 20 7.473 -7.148 -18.095
223 H1* A 20 H1' A 20 4.730 -9.757 -17.257
224 H8 A 20 H8 A 20 7.303 -8.617 -14.407
225 1H6 A 20 1H6 A 20 2.991 -10.547 -10.479
226 2H6 A 20 2H6 A 20 4.579 -9.852 -10.668
227 H2 A 20 H2 A 20 1.459 -11.165 -14.736
228 1H2* A 20 H2' A 20 6.335 -7.409 -16.383
229 2H2* A 20 H2'' A 20 4.866 -7.436 -17.363
230 1H5* C 21 H5'' C 21 3.203 -7.825 -19.839
231 2H5* C 21 H5' C 21 2.800 -6.270 -20.602
232 H4* C 21 H4' C 21 0.930 -7.046 -19.198
233 H3* C 21 H3' C 21 2.309 -4.511 -18.966
234 H1* C 21 H1' C 21 0.303 -6.782 -16.339
235 1H4 C 21 1H4 C 21 2.998 -7.198 -10.606
236 2H4 C 21 2H4 C 21 4.563 -6.682 -11.240
237 H5 C 21 H5 C 21 4.936 -6.160 -13.444
238 H6 C 21 H6 C 21 4.039 -5.963 -15.697
239 1H2* C 21 H2' C 21 2.375 -4.583 -16.559
240 2H2* C 21 H2'' C 21 0.536 -4.574 -16.711
241 1H5* A 22 H5'' A 22 -2.338 -5.160 -17.766
242 2H5* A 22 H5' A 22 -3.031 -3.576 -18.252
243 H4* A 22 H4' A 22 -4.170 -4.762 -16.201
244 H3* A 22 H3' A 22 -3.695 -2.030 -16.768
245 H1* A 22 H1' A 22 -3.499 -3.863 -13.548
246 H8 A 22 H8 A 22 -0.226 -2.564 -15.085
247 1H6 A 22 1H6 A 22 2.702 -3.884 -9.689
248 2H6 A 22 2H6 A 22 2.953 -3.235 -11.295
249 H2 A 22 H2 A 22 -1.601 -4.995 -9.334
250 1H2* A 22 H2' A 22 -2.062 -1.883 -15.318
251 2H2* A 22 H2'' A 22 -3.377 -1.499 -14.155
252 1H5* A 23 H5'' A 23 -6.338 -3.896 -12.589
253 2H5* A 23 H5' A 23 -7.457 -2.573 -12.950
254 H4* A 23 H4' A 23 -7.338 -2.899 -10.364
255 H3* A 23 H3' A 23 -7.089 -0.520 -11.847
256 H1* A 23 H1' A 23 -5.327 -1.634 -8.698
257 H8 A 23 H8 A 23 -3.418 -1.279 -12.007
258 1H6 A 23 1H6 A 23 1.933 -1.813 -8.830
259 2H6 A 23 2H6 A 23 1.254 -1.542 -10.416
260 H2 A 23 H2 A 23 -1.505 -2.305 -5.995
261 1H2* A 23 H2' A 23 -4.980 -0.149 -11.224
262 2H2* A 23 H2'' A 23 -5.614 0.225 -9.554
263 1H5* T 24 H5'' T 24 -7.523 -0.374 -7.052
264 2H5* T 24 H5' T 24 -8.402 1.106 -6.681
265 H4* T 24 H4' T 24 -6.737 0.729 -5.115
266 H3* T 24 H3' T 24 -6.944 3.232 -6.529
267 1H2* T 24 H2' T 24 -4.517 3.336 -7.224
268 2H2* T 24 H2'' T 24 -4.287 3.450 -5.467
269 H1* T 24 H1' T 24 -3.496 1.333 -5.163
270 H3 T 24 H3 T 24 0.323 1.283 -7.463
271 1H5M T 24 1H7 T 24 -3.260 1.384 -11.232
272 2H5M T 24 2H7 T 24 -2.024 2.709 -11.339
273 3H5M T 24 3H7 T 24 -3.566 2.987 -10.452
274 H6 T 24 H6 T 24 -4.197 1.942 -8.790
275 1H5* C 25 H5'' C 25 -4.949 3.250 -2.536
276 2H5* C 25 H5' C 25 -5.607 4.659 -1.625
277 H4* C 25 H4' C 25 -3.276 4.065 -1.002
278 H3* C 25 H3' C 25 -4.089 6.653 -1.685
279 H1* C 25 H1' C 25 -0.635 5.033 -2.561
280 1H4 C 25 1H4 C 25 0.651 4.942 -8.802
281 2H4 C 25 2H4 C 25 -1.069 4.969 -9.215
282 H5 C 25 H5 C 25 -2.801 5.050 -7.558
283 H6 C 25 H6 C 25 -3.295 5.124 -5.144
284 1H2* C 25 H2' C 25 -2.906 6.700 -3.656
285 2H2* C 25 H2'' C 25 -1.544 7.254 -2.645
286 1H5* A 26 H5'' A 26 1.150 5.175 -0.185
287 2H5* A 26 H5' A 26 0.835 6.465 0.974
288 H4* A 26 H4' A 26 3.128 6.608 0.085
289 H3* A 26 H3' A 26 1.127 8.713 -0.094
290 H1* A 26 H1' A 26 4.219 8.063 -2.443
291 H8 A 26 H8 A 26 0.527 8.028 -3.748
292 1H6 A 26 1H6 A 26 3.000 8.143 -9.433
293 2H6 A 26 2H6 A 26 1.510 8.159 -8.524
294 H2 A 26 H2 A 26 6.345 7.936 -6.463
295 1H2* A 26 H2' A 26 1.496 9.269 -2.171
296 2H2* A 26 H2'' A 26 3.099 9.896 -1.674
297 1H5* C 27 H5'' C 27 5.375 8.866 -0.135
298 2H5* C 27 H5' C 27 6.241 10.130 0.767
299 H4* C 27 H4' C 27 7.472 9.513 -1.319
300 H3* C 27 H3' C 27 6.363 12.209 -0.767
301 H1* C 27 H1' C 27 7.176 10.367 -4.134
302 1H4 C 27 1H4 C 27 2.339 12.075 -8.008
303 2H4 C 27 2H4 C 27 1.246 12.244 -6.632
304 H5 C 27 H5 C 27 1.947 11.922 -4.344
305 H6 C 27 H6 C 27 3.843 11.371 -2.897
306 1H2* C 27 H2' C 27 6.036 12.788 -2.842
307 2H2* C 27 H2'' C 27 7.711 12.350 -3.314
308 1H5* C 28 H5'' C 28 10.136 12.512 -3.353
309 2H5* C 28 H5' C 28 11.114 13.720 -2.494
310 H4* C 28 H4' C 28 11.064 14.206 -4.896
311 H3* C 28 H3' C 28 10.296 16.070 -2.819
312 H1* C 28 H1' C 28 9.143 15.592 -6.720
313 1H4 C 28 1H4 C 28 2.893 15.587 -7.853
314 2H4 C 28 2H4 C 28 2.541 15.005 -6.225
315 H5 C 28 H5 C 28 4.190 14.612 -4.609
316 H6 C 28 H6 C 28 6.564 14.652 -4.081
317 1H2* C 28 H2' C 28 8.174 16.415 -3.898
318 2H2* C 28 H2'' C 28 9.069 17.439 -5.057
319 1H5* C 29 H5'' C 29 11.440 17.539 -7.304
320 2H5* C 29 H5' C 29 12.604 18.787 -6.735
321 H4* C 29 H4' C 29 11.670 19.593 -8.829
322 H3* C 29 H3' C 29 11.053 20.905 -6.308
323 H1* C 29 H1' C 29 8.868 20.633 -9.582
324 1H4 C 29 1H4 C 29 2.997 18.700 -7.786
325 2H4 C 29 2H4 C 29 3.596 18.244 -6.192
326 H5 C 29 H5 C 29 5.894 18.502 -5.504
327 H6 C 29 H6 C 29 8.118 19.252 -6.194
328 1H2* C 29 H2' C 29 8.925 21.261 -6.646
329 2H2* C 29 H2'' C 29 9.284 22.324 -8.020
330 1H5* C 30 H5'' C 30 11.104 23.617 -10.222
331 2H5* C 30 H5' C 30 11.672 25.223 -9.710
332 H4* C 30 H4' C 30 9.757 25.382 -11.327
333 H3* C 30 H3' C 30 9.682 26.409 -8.540
334 H1* C 30 H1' C 30 6.747 25.158 -10.853
335 1H4 C 30 1H4 C 30 3.094 22.225 -6.499
336 2H4 C 30 2H4 C 30 4.449 22.037 -5.401
337 H5 C 30 H5 C 30 6.677 22.864 -5.896
338 H6 C 30 H6 C 30 8.047 24.031 -7.531
339 H3T C 30 H3T C 30 10.583 27.554 -10.421
340 1H2* C 30 H2' C 30 7.527 26.393 -8.298
341 2H2* C 30 H2'' C 30 7.205 27.184 -9.865
Start of MODEL 19
1 1H5* G 1 H5'' G 1 -4.745 25.916 -9.686
2 2H5* G 1 H5' G 1 -5.978 24.909 -10.356
3 H4* G 1 H4' G 1 -3.847 24.809 -11.792
4 H3* G 1 H3' G 1 -4.886 22.309 -10.493
5 H1* G 1 H1' G 1 -1.111 23.458 -11.431
6 H8 G 1 H8 G 1 -2.342 21.581 -8.177
7 H1 G 1 H1 G 1 3.916 22.889 -8.574
8 1H2 G 1 1H2 G 1 4.350 24.052 -10.412
9 2H2 G 1 2H2 G 1 3.101 24.511 -11.549
10 H5T G 1 H5T G 1 -5.378 24.739 -8.016
11 1H2* G 1 H2' G 1 -2.921 21.347 -10.282
12 2H2* G 1 H2'' G 1 -2.594 21.453 -11.961
13 1H5* G 2 H5'' G 2 -2.909 22.841 -14.112
14 2H5* G 2 H5' G 2 -3.291 21.967 -15.611
15 H4* G 2 H4' G 2 -0.851 22.323 -15.379
16 H3* G 2 H3' G 2 -2.120 19.723 -15.633
17 H1* G 2 H1' G 2 1.214 20.758 -13.913
18 H8 G 2 H8 G 2 -1.640 19.341 -11.601
19 H1 G 2 H1 G 2 4.336 18.818 -9.312
20 1H2 G 2 1H2 G 2 5.784 19.612 -10.801
21 2H2 G 2 2H2 G 2 5.271 20.263 -12.342
22 1H2* G 2 H2' G 2 -1.024 18.731 -14.015
23 2H2* G 2 H2'' G 2 0.454 18.819 -15.018
24 1H5* G 3 H5'' G 3 2.804 19.922 -17.478
25 2H5* G 3 H5' G 3 2.313 18.979 -18.882
26 H4* G 3 H4' G 3 4.516 18.178 -17.977
27 H3* G 3 H3' G 3 2.231 16.509 -18.440
28 H1* G 3 H1' G 3 4.906 16.126 -15.739
29 H8 G 3 H8 G 3 1.293 16.523 -14.553
30 H1 G 3 H1 G 3 5.458 15.277 -9.846
31 1H2 G 3 1H2 G 3 7.511 15.248 -10.654
32 2H2 G 3 2H2 G 3 7.855 15.538 -12.361
33 1H2* G 3 H2' G 3 1.989 15.854 -16.338
34 2H2* G 3 H2'' G 3 3.358 14.740 -16.753
35 1H5* G 4 H5'' G 4 6.517 14.724 -17.726
36 2H5* G 4 H5' G 4 6.742 13.361 -18.839
37 H4* G 4 H4' G 4 7.920 13.050 -16.657
38 H3* G 4 H3' G 4 6.114 11.173 -17.947
39 H1* G 4 H1' G 4 6.910 11.710 -14.221
40 H8 G 4 H8 G 4 3.108 12.333 -15.170
41 H1 G 4 H1 G 4 4.175 11.321 -8.959
42 1H2 G 4 1H2 G 4 6.324 10.945 -8.575
43 2H2 G 4 2H2 G 4 7.512 10.943 -9.861
44 1H2* G 4 H2' G 4 4.868 10.652 -16.068
45 2H2* G 4 H2'' G 4 6.300 9.916 -15.440
46 1H5* T 5 H5'' T 5 9.629 10.320 -15.017
47 2H5* T 5 H5' T 5 10.464 8.880 -15.646
48 H4* T 5 H4' T 5 10.709 9.263 -13.166
49 H3* T 5 H3' T 5 10.439 6.894 -14.538
50 1H2* T 5 H2' T 5 8.196 6.527 -13.857
51 2H2* T 5 H2'' T 5 9.039 5.823 -12.409
52 H1* T 5 H1' T 5 8.959 7.731 -11.182
53 H3 T 5 H3 T 5 4.636 7.640 -9.593
54 1H5M T 5 1H7 T 5 4.150 7.158 -14.803
55 2H5M T 5 2H7 T 5 4.225 8.922 -14.697
56 3H5M T 5 3H7 T 5 2.887 8.051 -13.904
57 H6 T 5 H6 T 5 6.634 7.978 -13.961
58 1H5* G 6 H5'' G 6 10.307 7.600 -9.426
59 2H5* G 6 H5' G 6 11.743 6.527 -9.247
60 H4* G 6 H4' G 6 10.412 6.302 -7.152
61 H3* G 6 H3' G 6 10.795 4.167 -8.944
62 H1* G 6 H1' G 6 7.973 4.895 -6.638
63 H8 G 6 H8 G 6 6.942 5.007 -10.383
64 H1 G 6 H1 G 6 1.860 4.978 -6.541
65 1H2 G 6 1H2 G 6 2.582 5.018 -4.366
66 2H2 G 6 2H2 G 6 4.286 5.052 -3.960
67 1H2* G 6 H2' G 6 8.584 3.877 -9.341
68 2H2* G 6 H2'' G 6 8.600 3.059 -7.760
69 1H5* A 7 H5'' A 7 9.298 3.921 -4.300
70 2H5* A 7 H5' A 7 10.525 2.682 -3.892
71 H4* A 7 H4' A 7 8.546 2.368 -2.343
72 H3* A 7 H3' A 7 9.491 0.388 -4.068
73 H1* A 7 H1' A 7 5.888 1.042 -3.078
74 H8 A 7 H8 A 7 7.211 1.654 -6.626
75 1H6 A 7 1H6 A 7 1.289 1.774 -8.513
76 2H6 A 7 2H6 A 7 2.958 1.858 -9.003
77 H2 A 7 H2 A 7 1.370 1.242 -4.022
78 1H2* A 7 H2' A 7 7.760 0.167 -5.204
79 2H2* A 7 H2'' A 7 7.026 -0.706 -3.819
80 1H5* T 8 H5'' T 8 6.415 -0.157 -0.776
81 2H5* T 8 H5' T 8 6.944 -1.525 0.179
82 H4* T 8 H4' T 8 4.462 -1.457 0.148
83 H3* T 8 H3' T 8 6.046 -3.660 -0.543
84 1H2* T 8 H2' T 8 5.564 -3.605 -2.719
85 2H2* T 8 H2'' T 8 4.060 -4.450 -2.389
86 H1* T 8 H1' T 8 2.734 -2.720 -1.999
87 H3 T 8 H3 T 8 1.450 -2.201 -6.441
88 1H5M T 8 1H7 T 8 6.560 -1.410 -6.511
89 2H5M T 8 2H7 T 8 5.993 -2.745 -7.591
90 3H5M T 8 3H7 T 8 6.586 -3.111 -5.911
91 H6 T 8 H6 T 8 5.627 -2.402 -4.103
92 1H5* T 9 H5'' T 9 1.350 -3.590 -0.348
93 2H5* T 9 H5' T 9 0.905 -5.064 0.527
94 H4* T 9 H4' T 9 -0.814 -4.514 -1.181
95 H3* T 9 H3' T 9 0.446 -6.981 -0.812
96 1H2* T 9 H2' T 9 1.627 -7.007 -2.731
97 2H2* T 9 H2'' T 9 0.252 -7.475 -3.587
98 H1* T 9 H1' T 9 -0.637 -5.594 -4.056
99 H3 T 9 H3 T 9 1.478 -4.653 -8.022
100 1H5M T 9 1H7 T 9 5.393 -4.914 -4.524
101 2H5M T 9 2H7 T 9 5.641 -5.432 -6.196
102 3H5M T 9 3H7 T 9 5.227 -6.623 -4.947
103 H6 T 9 H6 T 9 2.902 -5.783 -3.595
104 1H5* G 10 H5'' G 10 -3.629 -6.903 -3.360
105 2H5* G 10 H5' G 10 -4.477 -8.391 -2.882
106 H4* G 10 H4' G 10 -4.913 -7.796 -5.298
107 H3* G 10 H3' G 10 -3.908 -10.343 -4.346
108 H1* G 10 H1' G 10 -3.194 -8.694 -7.636
109 H8 G 10 H8 G 10 -0.401 -9.137 -5.002
110 H1 G 10 H1 G 10 1.802 -7.566 -10.814
111 1H2 G 10 1H2 G 10 0.082 -7.292 -12.205
112 2H2 G 10 2H2 G 10 -1.576 -7.499 -11.679
113 1H2* G 10 H2' G 10 -2.094 -10.413 -5.580
114 2H2* G 10 H2'' G 10 -3.115 -10.747 -6.924
115 1H5* T 11 H5'' T 11 -5.754 -9.640 -8.708
116 2H5* T 11 H5' T 11 -6.885 -11.031 -8.772
117 H4* T 11 H4' T 11 -6.054 -10.674 -11.089
118 H3* T 11 H3' T 11 -5.635 -13.015 -9.670
119 1H2* T 11 H2' T 11 -3.447 -13.118 -10.157
120 2H2* T 11 H2'' T 11 -3.864 -13.302 -11.926
121 H1* T 11 H1' T 11 -3.525 -11.315 -12.435
122 H3 T 11 H3 T 11 1.033 -10.755 -12.221
123 1H5M T 11 1H7 T 11 1.182 -11.639 -7.718
124 2H5M T 11 2H7 T 11 -0.186 -12.755 -7.552
125 3H5M T 11 3H7 T 11 -0.399 -11.029 -7.177
126 H6 T 11 H6 T 11 -2.338 -11.787 -8.937
127 1H5* T 12 H5'' T 12 -5.476 -12.715 -14.075
128 2H5* T 12 H5' T 12 -6.241 -14.051 -14.861
129 H4* T 12 H4' T 12 -4.248 -13.389 -16.125
130 H3* T 12 H3' T 12 -4.735 -15.979 -15.066
131 1H2* T 12 H2' T 12 -2.831 -16.110 -14.027
132 2H2* T 12 H2'' T 12 -1.978 -16.481 -15.452
133 H1* T 12 H1' T 12 -1.444 -14.201 -15.884
134 H3 T 12 H3 T 12 2.263 -14.149 -13.241
135 1H5M T 12 1H7 T 12 -0.122 -15.301 -9.512
136 2H5M T 12 2H7 T 12 -1.689 -15.852 -10.129
137 3H5M T 12 3H7 T 12 -1.453 -14.135 -9.688
138 H6 T 12 H6 T 12 -2.444 -14.831 -12.464
139 1H5* C 13 H5'' C 13 -1.669 -15.778 -18.944
140 2H5* C 13 H5' C 13 -2.078 -17.233 -19.849
141 H4* C 13 H4' C 13 0.406 -16.872 -19.678
142 H3* C 13 H3' C 13 -0.976 -19.248 -19.448
143 H1* C 13 H1' C 13 2.198 -18.128 -17.333
144 1H4 C 13 1H4 C 13 2.081 -17.540 -11.054
145 2H4 C 13 2H4 C 13 0.340 -17.832 -11.001
146 H5 C 13 H5 C 13 -0.985 -18.213 -12.992
147 H6 C 13 H6 C 13 -1.028 -18.402 -15.293
148 1H2* C 13 H2' C 13 -0.652 -19.379 -17.054
149 2H2* C 13 H2'' C 13 0.717 -20.285 -17.569
150 1H5* A 14 H5'' A 14 4.720 -19.035 -19.077
151 2H5* A 14 H5' A 14 4.508 -20.576 -19.923
152 H4* A 14 H4' A 14 6.176 -20.929 -18.220
153 H3* A 14 H3' A 14 3.448 -22.031 -17.828
154 H1* A 14 H1' A 14 6.470 -21.276 -15.480
155 H8 A 14 H8 A 14 2.752 -20.690 -14.759
156 1H6 A 14 1H6 A 14 4.616 -19.094 -9.061
157 2H6 A 14 2H6 A 14 3.226 -19.359 -10.109
158 H2 A 14 H2 A 14 8.244 -19.940 -11.659
159 1H2* A 14 H2' A 14 3.765 -22.318 -15.602
160 2H2* A 14 H2'' A 14 5.295 -23.117 -15.814
161 1H5* G 15 H5'' G 15 7.138 -23.947 -16.737
162 2H5* G 15 H5' G 15 7.364 -25.625 -17.297
163 H4* G 15 H4' G 15 8.424 -25.268 -15.099
164 H3* G 15 H3' G 15 6.464 -27.279 -15.690
165 H1* G 15 H1' G 15 7.412 -25.333 -12.332
166 H8 G 15 H8 G 15 3.757 -24.863 -13.692
167 H1 G 15 H1 G 15 4.614 -23.309 -7.522
168 1H2 G 15 1H2 G 15 6.709 -23.679 -6.930
169 2H2 G 15 2H2 G 15 7.904 -24.309 -8.046
170 H3T G 15 H3T G 15 7.975 -28.496 -14.465
171 1H2* G 15 H2' G 15 5.206 -26.937 -13.522
172 2H2* G 15 H2'' G 15 6.710 -27.493 -12.802
173 1H5* C 16 H5'' C 16 5.917 -22.769 1.329
174 2H5* C 16 H5' C 16 6.936 -21.353 1.704
175 H4* C 16 H4' C 16 8.101 -22.888 0.078
176 H3* C 16 H3' C 16 7.557 -20.082 -0.239
177 H1* C 16 H1' C 16 7.827 -23.190 -2.921
178 1H4 C 16 1H4 C 16 2.980 -22.666 -7.083
179 2H4 C 16 2H4 C 16 1.936 -22.001 -5.825
180 H5 C 16 H5 C 16 2.682 -21.543 -3.573
181 H6 C 16 H6 C 16 4.631 -21.635 -2.031
182 H5T C 16 H5T C 16 4.768 -20.817 1.269
183 1H2* C 16 H2' C 16 6.816 -20.336 -2.560
184 2H2* C 16 H2'' C 16 8.498 -21.006 -3.024
185 1H5* T 17 H5'' T 17 11.018 -21.420 -3.248
186 2H5* T 17 H5' T 17 12.236 -20.242 -2.696
187 H4* T 17 H4' T 17 12.251 -20.360 -5.218
188 H3* T 17 H3' T 17 11.930 -18.031 -3.633
189 1H2* T 17 H2' T 17 9.902 -17.515 -4.495
190 2H2* T 17 H2'' T 17 10.854 -16.878 -5.873
191 H1* T 17 H1' T 17 10.553 -18.942 -7.172
192 H3 T 17 H3 T 17 6.395 -18.961 -8.917
193 1H5M T 17 1H7 T 17 5.752 -17.433 -3.858
194 2H5M T 17 2H7 T 17 5.353 -19.164 -3.831
195 3H5M T 17 3H7 T 17 4.389 -18.048 -4.819
196 H6 T 17 H6 T 17 8.032 -18.485 -4.423
197 1H5* G 18 H5'' G 18 12.644 -19.023 -9.045
198 2H5* G 18 H5' G 18 13.692 -17.628 -9.029
199 H4* G 18 H4' G 18 12.403 -17.703 -10.946
200 H3* G 18 H3' G 18 12.304 -15.508 -9.050
201 H1* G 18 H1' G 18 9.725 -16.546 -11.691
202 H8 G 18 H8 G 18 8.154 -16.283 -7.992
203 H1 G 18 H1 G 18 3.943 -17.250 -12.673
204 1H2 G 18 1H2 G 18 4.973 -17.481 -14.643
205 2H2 G 18 2H2 G 18 6.715 -17.394 -14.810
206 1H2* G 18 H2' G 18 10.169 -15.229 -9.009
207 2H2* G 18 H2'' G 18 10.301 -14.512 -10.599
208 1H5* A 19 H5'' A 19 12.286 -14.954 -13.880
209 2H5* A 19 H5' A 19 13.136 -13.410 -14.080
210 H4* A 19 H4' A 19 11.252 -13.802 -15.952
211 H3* A 19 H3' A 19 11.754 -11.434 -14.326
212 H1* A 19 H1' A 19 8.531 -12.956 -15.603
213 H8 A 19 H8 A 19 9.480 -12.940 -11.926
214 1H6 A 19 1H6 A 19 3.477 -13.800 -10.488
215 2H6 A 19 2H6 A 19 5.088 -13.617 -9.821
216 H2 A 19 H2 A 19 3.876 -13.540 -14.933
217 1H2* A 19 H2' A 19 9.776 -11.346 -13.469
218 2H2* A 19 H2'' A 19 9.243 -10.919 -15.134
219 1H5* A 20 H5'' A 20 9.516 -10.742 -18.303
220 2H5* A 20 H5' A 20 9.702 -9.090 -18.925
221 H4* A 20 H4' A 20 7.319 -9.968 -18.953
222 H3* A 20 H3' A 20 8.131 -7.337 -17.761
223 H1* A 20 H1' A 20 5.163 -9.719 -16.936
224 H8 A 20 H8 A 20 7.961 -8.815 -14.232
225 1H6 A 20 1H6 A 20 3.608 -10.259 -10.114
226 2H6 A 20 2H6 A 20 5.258 -9.741 -10.365
227 H2 A 20 H2 A 20 1.859 -10.714 -14.293
228 1H2* A 20 H2' A 20 6.886 -7.469 -16.110
229 2H2* A 20 H2'' A 20 5.454 -7.433 -17.134
230 1H5* C 21 H5'' C 21 3.897 -7.526 -19.596
231 2H5* C 21 H5' C 21 3.559 -5.925 -20.283
232 H4* C 21 H4' C 21 1.653 -6.754 -18.944
233 H3* C 21 H3' C 21 2.999 -4.220 -18.671
234 H1* C 21 H1' C 21 1.014 -6.479 -16.079
235 1H4 C 21 1H4 C 21 3.536 -7.002 -10.294
236 2H4 C 21 2H4 C 21 5.156 -6.600 -10.853
237 H5 C 21 H5 C 21 5.650 -6.103 -13.141
238 H6 C 21 H6 C 21 4.778 -5.871 -15.401
239 1H2* C 21 H2' C 21 3.196 -4.383 -16.269
240 2H2* C 21 H2'' C 21 1.385 -4.235 -16.328
241 1H5* A 22 H5'' A 22 -1.792 -5.133 -17.415
242 2H5* A 22 H5' A 22 -2.388 -3.564 -18.039
243 H4* A 22 H4' A 22 -3.781 -4.598 -16.101
244 H3* A 22 H3' A 22 -3.116 -1.914 -16.603
245 H1* A 22 H1' A 22 -3.269 -3.685 -13.302
246 H8 A 22 H8 A 22 0.140 -2.570 -14.668
247 1H6 A 22 1H6 A 22 2.723 -4.133 -9.201
248 2H6 A 22 2H6 A 22 3.036 -3.478 -10.790
249 H2 A 22 H2 A 22 -1.688 -5.018 -9.060
250 1H2* A 22 H2' A 22 -1.658 -1.768 -14.975
251 2H2* A 22 H2'' A 22 -3.096 -1.405 -13.971
252 1H5* A 23 H5'' A 23 -6.160 -3.684 -12.798
253 2H5* A 23 H5' A 23 -7.278 -2.347 -13.107
254 H4* A 23 H4' A 23 -7.269 -2.940 -10.573
255 H3* A 23 H3' A 23 -7.071 -0.416 -11.746
256 H1* A 23 H1' A 23 -5.314 -1.702 -8.654
257 H8 A 23 H8 A 23 -3.346 -1.029 -11.879
258 1H6 A 23 1H6 A 23 1.918 -1.629 -8.624
259 2H6 A 23 2H6 A 23 1.241 -1.272 -10.196
260 H2 A 23 H2 A 23 -1.565 -2.420 -5.889
261 1H2* A 23 H2' A 23 -4.985 -0.026 -11.035
262 2H2* A 23 H2'' A 23 -5.708 0.193 -9.374
263 1H5* T 24 H5'' T 24 -7.578 -0.679 -6.927
264 2H5* T 24 H5' T 24 -8.540 0.722 -6.459
265 H4* T 24 H4' T 24 -6.834 0.344 -4.911
266 H3* T 24 H3' T 24 -7.176 2.909 -6.201
267 1H2* T 24 H2' T 24 -4.795 3.199 -6.859
268 2H2* T 24 H2'' T 24 -4.542 3.230 -5.112
269 H1* T 24 H1' T 24 -3.648 1.131 -4.940
270 H3 T 24 H3 T 24 0.151 1.438 -7.186
271 1H5M T 24 1H7 T 24 -3.771 3.183 -10.105
272 2H5M T 24 2H7 T 24 -3.400 1.645 -10.978
273 3H5M T 24 3H7 T 24 -2.199 3.000 -10.985
274 H6 T 24 H6 T 24 -4.393 1.967 -8.545
275 1H5* C 25 H5'' C 25 -4.987 2.857 -2.160
276 2H5* C 25 H5' C 25 -5.627 4.246 -1.217
277 H4* C 25 H4' C 25 -3.245 3.720 -0.733
278 H3* C 25 H3' C 25 -4.185 6.287 -1.301
279 H1* C 25 H1' C 25 -0.746 4.852 -2.462
280 1H4 C 25 1H4 C 25 0.115 4.947 -8.758
281 2H4 C 25 2H4 C 25 -1.627 4.937 -9.047
282 H5 C 25 H5 C 25 -3.216 4.923 -7.281
283 H6 C 25 H6 C 25 -3.580 4.922 -4.838
284 1H2* C 25 H2' C 25 -3.150 6.448 -3.344
285 2H2* C 25 H2'' C 25 -1.742 7.000 -2.398
286 1H5* A 26 H5'' A 26 1.000 5.217 -0.099
287 2H5* A 26 H5' A 26 0.858 6.550 1.041
288 H4* A 26 H4' A 26 3.090 6.510 0.005
289 H3* A 26 H3' A 26 1.253 8.750 -0.087
290 H1* A 26 H1' A 26 4.098 7.815 -2.632
291 H8 A 26 H8 A 26 0.337 7.950 -3.756
292 1H6 A 26 1H6 A 26 2.583 7.952 -9.544
293 2H6 A 26 2H6 A 26 1.136 8.018 -8.565
294 H2 A 26 H2 A 26 6.041 7.669 -6.695
295 1H2* A 26 H2' A 26 1.493 9.233 -2.215
296 2H2* A 26 H2'' A 26 3.162 9.757 -1.844
297 1H5* C 27 H5'' C 27 5.486 8.559 -0.431
298 2H5* C 27 H5' C 27 6.536 9.770 0.335
299 H4* C 27 H4' C 27 7.531 8.909 -1.784
300 H3* C 27 H3' C 27 6.826 11.737 -1.288
301 H1* C 27 H1' C 27 7.103 9.702 -4.638
302 1H4 C 27 1H4 C 27 2.263 11.839 -8.254
303 2H4 C 27 2H4 C 27 1.279 12.146 -6.821
304 H5 C 27 H5 C 27 2.078 11.807 -4.564
305 H6 C 27 H6 C 27 3.992 11.101 -3.210
306 1H2* C 27 H2' C 27 6.380 12.284 -3.358
307 2H2* C 27 H2'' C 27 7.951 11.636 -3.934
308 1H5* C 28 H5'' C 28 10.543 11.144 -4.094
309 2H5* C 28 H5' C 28 11.746 12.253 -3.404
310 H4* C 28 H4' C 28 11.672 12.456 -5.913
311 H3* C 28 H3' C 28 11.495 14.614 -4.000
312 H1* C 28 H1' C 28 9.840 14.076 -7.711
313 1H4 C 28 1H4 C 28 3.611 15.272 -8.061
314 2H4 C 28 2H4 C 28 3.358 14.775 -6.388
315 H5 C 28 H5 C 28 5.106 14.092 -4.963
316 H6 C 28 H6 C 28 7.479 13.704 -4.731
317 1H2* C 28 H2' C 28 9.420 15.367 -4.954
318 2H2* C 28 H2'' C 28 10.402 15.962 -6.319
319 1H5* C 29 H5'' C 29 12.252 15.886 -8.358
320 2H5* C 29 H5' C 29 13.730 16.890 -8.120
321 H4* C 29 H4' C 29 12.504 18.043 -9.805
322 H3* C 29 H3' C 29 12.477 19.170 -7.111
323 H1* C 29 H1' C 29 9.853 19.415 -10.018
324 1H4 C 29 1H4 C 29 4.020 18.194 -7.653
325 2H4 C 29 2H4 C 29 4.706 17.595 -6.142
326 H5 C 29 H5 C 29 7.080 17.510 -5.696
327 H6 C 29 H6 C 29 9.300 17.978 -6.602
328 1H2* C 29 H2' C 29 10.385 19.805 -7.089
329 2H2* C 29 H2'' C 29 10.680 20.920 -8.439
330 1H5* C 30 H5'' C 30 12.380 22.195 -10.718
331 2H5* C 30 H5' C 30 13.254 23.654 -10.198
332 H4* C 30 H4' C 30 11.189 24.255 -11.442
333 H3* C 30 H3' C 30 11.634 24.943 -8.591
334 H1* C 30 H1' C 30 8.317 24.415 -10.636
335 1H4 C 30 1H4 C 30 4.504 21.466 -6.439
336 2H4 C 30 2H4 C 30 5.867 20.961 -5.459
337 H5 C 30 H5 C 30 8.168 21.527 -5.994
338 H6 C 30 H6 C 30 9.620 22.689 -7.577
339 H3T C 30 H3T C 30 10.785 26.569 -10.768
340 1H2* C 30 H2' C 30 9.541 25.064 -8.019
341 2H2* C 30 H2'' C 30 9.128 26.157 -9.371
Start of MODEL 20
1 1H5* G 1 H5'' G 1 -3.021 26.624 -13.920
2 2H5* G 1 H5' G 1 -4.239 25.569 -14.525
3 H4* G 1 H4' G 1 -2.000 25.070 -15.661
4 H3* G 1 H3' G 1 -3.334 22.960 -14.025
5 H1* G 1 H1' G 1 0.585 23.679 -14.798
6 H8 G 1 H8 G 1 -0.991 22.898 -11.250
7 H1 G 1 H1 G 1 5.413 23.115 -11.502
8 1H2 G 1 1H2 G 1 6.094 23.617 -13.548
9 2H2 G 1 2H2 G 1 4.978 23.903 -14.866
10 H5T G 1 H5T G 1 -3.734 24.168 -12.690
11 1H2* G 1 H2' G 1 -1.474 22.051 -13.286
12 2H2* G 1 H2'' G 1 -1.000 21.655 -14.893
13 1H5* G 2 H5'' G 2 -0.921 22.626 -17.533
14 2H5* G 2 H5' G 2 -1.327 21.451 -18.799
15 H4* G 2 H4' G 2 1.125 21.780 -18.574
16 H3* G 2 H3' G 2 -0.245 19.278 -18.538
17 H1* G 2 H1' G 2 2.998 20.208 -16.602
18 H8 G 2 H8 G 2 -0.240 19.705 -14.404
19 H1 G 2 H1 G 2 5.347 19.039 -11.324
20 1H2 G 2 1H2 G 2 7.022 19.324 -12.736
21 2H2 G 2 2H2 G 2 6.775 19.678 -14.433
22 1H2* G 2 H2' G 2 0.442 18.600 -16.528
23 2H2* G 2 H2'' G 2 2.006 18.210 -17.312
24 1H5* G 3 H5'' G 3 4.875 18.717 -19.410
25 2H5* G 3 H5' G 3 4.522 17.603 -20.731
26 H4* G 3 H4' G 3 6.425 16.748 -19.351
27 H3* G 3 H3' G 3 3.969 15.290 -19.843
28 H1* G 3 H1' G 3 6.303 15.088 -16.785
29 H8 G 3 H8 G 3 2.617 15.891 -16.224
30 H1 G 3 H1 G 3 6.044 15.265 -10.847
31 1H2 G 3 1H2 G 3 8.188 15.018 -11.347
32 2H2 G 3 2H2 G 3 8.770 15.008 -13.014
33 1H2* G 3 H2' G 3 3.496 14.888 -17.752
34 2H2* G 3 H2'' G 3 4.832 13.669 -17.838
35 1H5* G 4 H5'' G 4 7.710 13.425 -18.475
36 2H5* G 4 H5' G 4 8.151 11.916 -19.292
37 H4* G 4 H4' G 4 8.888 11.944 -16.935
38 H3* G 4 H3' G 4 7.170 9.902 -18.139
39 H1* G 4 H1' G 4 7.592 11.108 -14.530
40 H8 G 4 H8 G 4 3.923 11.612 -15.900
41 H1 G 4 H1 G 4 4.374 11.194 -9.533
42 1H2 G 4 1H2 G 4 6.478 10.863 -8.924
43 2H2 G 4 2H2 G 4 7.780 10.745 -10.088
44 1H2* G 4 H2' G 4 5.729 9.735 -16.368
45 2H2* G 4 H2'' G 4 7.045 9.098 -15.446
46 1H5* T 5 H5'' T 5 10.109 9.760 -14.598
47 2H5* T 5 H5' T 5 11.114 8.353 -15.020
48 H4* T 5 H4' T 5 11.193 8.928 -12.603
49 H3* T 5 H3' T 5 11.032 6.442 -13.736
50 1H2* T 5 H2' T 5 8.743 6.136 -13.199
51 2H2* T 5 H2'' T 5 9.484 5.535 -11.647
52 H1* T 5 H1' T 5 9.335 7.546 -10.581
53 H3 T 5 H3 T 5 4.904 7.635 -9.256
54 1H5M T 5 1H7 T 5 4.810 6.726 -14.448
55 2H5M T 5 2H7 T 5 4.813 8.497 -14.438
56 3H5M T 5 3H7 T 5 3.450 7.618 -13.695
57 H6 T 5 H6 T 5 7.182 7.563 -13.501
58 1H5* G 6 H5'' G 6 10.450 7.582 -8.677
59 2H5* G 6 H5' G 6 11.891 6.551 -8.331
60 H4* G 6 H4' G 6 10.397 6.381 -6.340
61 H3* G 6 H3' G 6 10.901 4.183 -8.051
62 H1* G 6 H1' G 6 7.922 5.032 -5.951
63 H8 G 6 H8 G 6 7.181 4.903 -9.759
64 H1 G 6 H1 G 6 1.834 5.139 -6.303
65 1H2 G 6 1H2 G 6 2.369 5.317 -4.119
66 2H2 G 6 2H2 G 6 4.030 5.374 -3.567
67 1H2* G 6 H2' G 6 8.730 3.825 -8.527
68 2H2* G 6 H2'' G 6 8.660 3.125 -6.894
69 1H5* A 7 H5'' A 7 9.101 4.098 -3.636
70 2H5* A 7 H5' A 7 10.276 2.891 -3.024
71 H4* A 7 H4' A 7 8.179 2.617 -1.670
72 H3* A 7 H3' A 7 9.159 0.582 -3.360
73 H1* A 7 H1' A 7 5.554 1.384 -2.468
74 H8 A 7 H8 A 7 7.013 1.840 -5.994
75 1H6 A 7 1H6 A 7 1.178 2.065 -8.111
76 2H6 A 7 2H6 A 7 2.863 2.090 -8.553
77 H2 A 7 H2 A 7 1.068 1.678 -3.611
78 1H2* A 7 H2' A 7 7.434 0.357 -4.512
79 2H2* A 7 H2'' A 7 6.627 -0.434 -3.107
80 1H5* T 8 H5'' T 8 6.056 -0.086 -0.345
81 2H5* T 8 H5' T 8 6.510 -1.406 0.678
82 H4* T 8 H4' T 8 4.096 -1.514 0.390
83 H3* T 8 H3' T 8 5.839 -3.605 -0.327
84 1H2* T 8 H2' T 8 5.412 -3.529 -2.518
85 2H2* T 8 H2'' T 8 3.918 -4.381 -2.267
86 H1* T 8 H1' T 8 2.534 -2.673 -1.907
87 H3 T 8 H3 T 8 1.453 -2.136 -6.340
88 1H5M T 8 1H7 T 8 6.580 -2.935 -5.627
89 2H5M T 8 2H7 T 8 6.570 -1.208 -6.141
90 3H5M T 8 3H7 T 8 6.074 -2.484 -7.328
91 H6 T 8 H6 T 8 5.533 -2.241 -3.830
92 1H5* T 9 H5'' T 9 1.188 -3.848 -0.215
93 2H5* T 9 H5' T 9 0.802 -5.399 0.551
94 H4* T 9 H4' T 9 -0.911 -4.812 -1.145
95 H3* T 9 H3' T 9 0.471 -7.240 -0.919
96 1H2* T 9 H2' T 9 1.642 -7.096 -2.839
97 2H2* T 9 H2'' T 9 0.289 -7.553 -3.724
98 H1* T 9 H1' T 9 -0.667 -5.671 -4.078
99 H3 T 9 H3 T 9 1.461 -4.562 -7.996
100 1H5M T 9 1H7 T 9 5.234 -6.421 -4.891
101 2H5M T 9 2H7 T 9 5.304 -4.719 -4.416
102 3H5M T 9 3H7 T 9 5.630 -5.177 -6.097
103 H6 T 9 H6 T 9 2.852 -5.724 -3.568
104 1H5* G 10 H5'' G 10 -3.748 -7.439 -3.366
105 2H5* G 10 H5' G 10 -4.391 -9.012 -2.841
106 H4* G 10 H4' G 10 -4.987 -8.517 -5.239
107 H3* G 10 H3' G 10 -3.631 -10.897 -4.303
108 H1* G 10 H1' G 10 -3.260 -9.209 -7.641
109 H8 G 10 H8 G 10 -0.338 -9.266 -5.110
110 H1 G 10 H1 G 10 1.519 -7.524 -10.997
111 1H2 G 10 1H2 G 10 -0.253 -7.453 -12.362
112 2H2 G 10 2H2 G 10 -1.863 -7.839 -11.788
113 1H2* G 10 H2' G 10 -1.873 -10.754 -5.613
114 2H2* G 10 H2'' G 10 -2.902 -11.231 -6.905
115 1H5* T 11 H5'' T 11 -5.695 -10.461 -8.599
116 2H5* T 11 H5' T 11 -6.674 -11.960 -8.594
117 H4* T 11 H4' T 11 -6.000 -11.521 -10.946
118 H3* T 11 H3' T 11 -5.377 -13.830 -9.584
119 1H2* T 11 H2' T 11 -3.140 -13.734 -10.077
120 2H2* T 11 H2'' T 11 -3.606 -14.015 -11.815
121 H1* T 11 H1' T 11 -3.466 -12.023 -12.407
122 H3 T 11 H3 T 11 1.048 -11.126 -12.406
123 1H5M T 11 1H7 T 11 0.103 -12.900 -7.554
124 2H5M T 11 2H7 T 11 -0.201 -11.161 -7.319
125 3H5M T 11 3H7 T 11 1.397 -11.719 -7.855
126 H6 T 11 H6 T 11 -2.145 -12.214 -8.957
127 1H5* T 12 H5'' T 12 -5.373 -13.392 -14.102
128 2H5* T 12 H5' T 12 -5.959 -14.833 -14.857
129 H4* T 12 H4' T 12 -4.119 -13.883 -16.182
130 H3* T 12 H3' T 12 -4.255 -16.529 -15.146
131 1H2* T 12 H2' T 12 -2.336 -16.368 -14.141
132 2H2* T 12 H2'' T 12 -1.479 -16.699 -15.588
133 H1* T 12 H1' T 12 -1.273 -14.369 -16.109
134 H3 T 12 H3 T 12 2.624 -13.944 -13.782
135 1H5M T 12 1H7 T 12 -1.016 -14.386 -10.019
136 2H5M T 12 2H7 T 12 0.653 -14.969 -9.805
137 3H5M T 12 3H7 T 12 -0.613 -16.099 -10.324
138 H6 T 12 H6 T 12 -1.935 -15.042 -12.613
139 1H5* C 13 H5'' C 13 -1.533 -16.336 -19.250
140 2H5* C 13 H5' C 13 -1.888 -17.874 -20.044
141 H4* C 13 H4' C 13 0.562 -17.367 -20.002
142 H3* C 13 H3' C 13 -0.676 -19.797 -19.505
143 H1* C 13 H1' C 13 2.530 -18.307 -17.702
144 1H4 C 13 1H4 C 13 2.831 -17.416 -11.476
145 2H4 C 13 2H4 C 13 1.115 -17.787 -11.282
146 H5 C 13 H5 C 13 -0.317 -18.326 -13.140
147 H6 C 13 H6 C 13 -0.528 -18.632 -15.434
148 1H2* C 13 H2' C 13 -0.210 -19.725 -17.149
149 2H2* C 13 H2'' C 13 1.200 -20.572 -17.671
150 1H5* A 14 H5'' A 14 5.107 -19.246 -19.365
151 2H5* A 14 H5' A 14 4.866 -20.804 -20.168
152 H4* A 14 H4' A 14 6.563 -21.140 -18.523
153 H3* A 14 H3' A 14 3.834 -22.175 -17.955
154 H1* A 14 H1' A 14 6.985 -21.372 -15.784
155 H8 A 14 H8 A 14 3.309 -20.751 -14.879
156 1H6 A 14 1H6 A 14 5.536 -18.623 -9.470
157 2H6 A 14 2H6 A 14 4.081 -18.994 -10.390
158 H2 A 14 H2 A 14 8.986 -19.669 -12.235
159 1H2* A 14 H2' A 14 4.278 -22.414 -15.725
160 2H2* A 14 H2'' A 14 5.785 -23.222 -16.017
161 1H5* G 15 H5'' G 15 7.619 -24.011 -17.135
162 2H5* G 15 H5' G 15 7.824 -25.710 -17.656
163 H4* G 15 H4' G 15 9.112 -25.272 -15.609
164 H3* G 15 H3' G 15 6.981 -27.235 -15.814
165 H1* G 15 H1' G 15 8.542 -25.118 -12.789
166 H8 G 15 H8 G 15 4.697 -24.813 -13.552
167 H1 G 15 H1 G 15 6.486 -22.948 -7.686
168 1H2 G 15 1H2 G 15 8.670 -23.243 -7.423
169 2H2 G 15 2H2 G 15 9.688 -23.899 -8.688
170 H3T G 15 H3T G 15 9.594 -27.236 -14.718
171 1H2* G 15 H2' G 15 6.243 -26.864 -13.423
172 2H2* G 15 H2'' G 15 7.875 -27.337 -13.012
173 1H5* C 16 H5'' C 16 8.025 -21.823 0.875
174 2H5* C 16 H5' C 16 8.968 -20.316 1.039
175 H4* C 16 H4' C 16 9.990 -21.857 -0.685
176 H3* C 16 H3' C 16 9.219 -19.096 -1.005
177 H1* C 16 H1' C 16 9.312 -22.292 -3.604
178 1H4 C 16 1H4 C 16 3.936 -22.156 -7.031
179 2H4 C 16 2H4 C 16 3.028 -21.473 -5.675
180 H5 C 16 H5 C 16 4.052 -20.887 -3.573
181 H6 C 16 H6 C 16 6.205 -20.834 -2.313
182 H5T C 16 H5T C 16 6.702 -20.003 0.910
183 1H2* C 16 H2' C 16 8.237 -19.457 -3.236
184 2H2* C 16 H2'' C 16 9.876 -20.093 -3.858
185 1H5* T 17 H5'' T 17 12.459 -20.426 -4.137
186 2H5* T 17 H5' T 17 13.711 -19.190 -3.838
187 H4* T 17 H4' T 17 13.493 -19.662 -6.320
188 H3* T 17 H3' T 17 13.448 -17.147 -5.034
189 1H2* T 17 H2' T 17 11.316 -16.663 -5.676
190 2H2* T 17 H2'' T 17 12.102 -16.191 -7.220
191 H1* T 17 H1' T 17 11.623 -18.389 -8.243
192 H3 T 17 H3 T 17 7.319 -18.434 -9.514
193 1H5M T 17 1H7 T 17 6.939 -18.045 -4.295
194 2H5M T 17 2H7 T 17 5.748 -17.202 -5.312
195 3H5M T 17 3H7 T 17 7.156 -16.323 -4.678
196 H6 T 17 H6 T 17 9.425 -17.566 -5.287
197 1H5* G 18 H5'' G 18 13.349 -18.628 -10.503
198 2H5* G 18 H5' G 18 14.507 -17.322 -10.635
199 H4* G 18 H4' G 18 13.061 -17.257 -12.385
200 H3* G 18 H3' G 18 13.219 -15.103 -10.469
201 H1* G 18 H1' G 18 10.348 -16.007 -12.828
202 H8 G 18 H8 G 18 9.085 -15.760 -9.001
203 H1 G 18 H1 G 18 4.555 -17.046 -13.289
204 1H2 G 18 1H2 G 18 5.434 -17.293 -15.338
205 2H2 G 18 2H2 G 18 7.149 -17.138 -15.650
206 1H2* G 18 H2' G 18 11.095 -14.858 -10.125
207 2H2* G 18 H2'' G 18 11.040 -14.013 -11.656
208 1H5* A 19 H5'' A 19 12.698 -14.282 -15.255
209 2H5* A 19 H5' A 19 13.382 -12.648 -15.445
210 H4* A 19 H4' A 19 11.343 -13.118 -17.112
211 H3* A 19 H3' A 19 11.807 -10.804 -15.364
212 H1* A 19 H1' A 19 8.620 -12.585 -16.484
213 H8 A 19 H8 A 19 9.909 -12.558 -12.933
214 1H6 A 19 1H6 A 19 4.154 -13.898 -10.946
215 2H6 A 19 2H6 A 19 5.801 -13.606 -10.435
216 H2 A 19 H2 A 19 4.084 -13.531 -15.407
217 1H2* A 19 H2' A 19 9.853 -10.862 -14.428
218 2H2* A 19 H2'' A 19 9.190 -10.479 -16.053
219 1H5* A 20 H5'' A 20 9.081 -10.290 -19.071
220 2H5* A 20 H5' A 20 9.150 -8.627 -19.686
221 H4* A 20 H4' A 20 6.816 -9.592 -19.618
222 H3* A 20 H3' A 20 7.573 -6.992 -18.344
223 H1* A 20 H1' A 20 4.762 -9.548 -17.474
224 H8 A 20 H8 A 20 7.663 -8.641 -14.868
225 1H6 A 20 1H6 A 20 3.660 -10.536 -10.600
226 2H6 A 20 2H6 A 20 5.256 -9.907 -10.921
227 H2 A 20 H2 A 20 1.687 -10.905 -14.686
228 1H2* A 20 H2' A 20 6.436 -7.257 -16.626
229 2H2* A 20 H2'' A 20 4.948 -7.235 -17.566
230 1H5* C 21 H5'' C 21 3.346 -7.344 -19.959
231 2H5* C 21 H5' C 21 2.831 -5.765 -20.582
232 H4* C 21 H4' C 21 1.077 -6.791 -19.178
233 H3* C 21 H3' C 21 2.179 -4.158 -18.942
234 H1* C 21 H1' C 21 0.571 -6.599 -16.284
235 1H4 C 21 1H4 C 21 3.255 -7.050 -10.603
236 2H4 C 21 2H4 C 21 4.850 -6.565 -11.161
237 H5 C 21 H5 C 21 5.268 -6.012 -13.491
238 H6 C 21 H6 C 21 4.316 -5.807 -15.719
239 1H2* C 21 H2' C 21 2.658 -4.392 -16.575
240 2H2* C 21 H2'' C 21 0.848 -4.307 -16.447
241 1H5* A 22 H5'' A 22 -2.478 -5.466 -17.190
242 2H5* A 22 H5' A 22 -3.157 -3.910 -17.768
243 H4* A 22 H4' A 22 -4.345 -4.953 -15.710
244 H3* A 22 H3' A 22 -3.787 -2.263 -16.321
245 H1* A 22 H1' A 22 -3.634 -3.959 -12.982
246 H8 A 22 H8 A 22 -0.383 -2.820 -14.616
247 1H6 A 22 1H6 A 22 2.634 -4.057 -9.252
248 2H6 A 22 2H6 A 22 2.826 -3.468 -10.886
249 H2 A 22 H2 A 22 -1.732 -5.046 -8.786
250 1H2* A 22 H2' A 22 -2.199 -2.054 -14.823
251 2H2* A 22 H2'' A 22 -3.552 -1.686 -13.705
252 1H5* A 23 H5'' A 23 -6.498 -3.906 -12.104
253 2H5* A 23 H5' A 23 -7.609 -2.583 -12.494
254 H4* A 23 H4' A 23 -7.503 -2.851 -9.942
255 H3* A 23 H3' A 23 -7.139 -0.483 -11.438
256 H1* A 23 H1' A 23 -5.390 -1.594 -8.229
257 H8 A 23 H8 A 23 -3.565 -1.274 -11.592
258 1H6 A 23 1H6 A 23 1.825 -1.788 -8.502
259 2H6 A 23 2H6 A 23 1.099 -1.537 -10.071
260 H2 A 23 H2 A 23 -1.575 -2.230 -5.582
261 1H2* A 23 H2' A 23 -5.060 -0.082 -10.716
262 2H2* A 23 H2'' A 23 -5.780 0.241 -9.078
263 1H5* T 24 H5'' T 24 -7.724 -0.373 -6.722
264 2H5* T 24 H5' T 24 -8.645 1.073 -6.314
265 H4* T 24 H4' T 24 -7.025 0.614 -4.676
266 H3* T 24 H3' T 24 -7.250 3.188 -5.921
267 1H2* T 24 H2' T 24 -4.855 3.357 -6.623
268 2H2* T 24 H2'' T 24 -4.589 3.453 -4.861
269 H1* T 24 H1' T 24 -3.771 1.319 -4.622
270 H3 T 24 H3 T 24 0.052 1.497 -6.849
271 1H5M T 24 1H7 T 24 -3.834 3.142 -9.870
272 2H5M T 24 2H7 T 24 -3.463 1.556 -10.665
273 3H5M T 24 3H7 T 24 -2.249 2.903 -10.734
274 H6 T 24 H6 T 24 -4.473 2.030 -8.257
275 1H5* C 25 H5'' C 25 -5.102 3.406 -1.720
276 2H5* C 25 H5' C 25 -5.849 4.857 -0.967
277 H4* C 25 H4' C 25 -3.443 4.541 -0.389
278 H3* C 25 H3' C 25 -4.512 6.968 -1.283
279 H1* C 25 H1' C 25 -0.986 5.590 -2.120
280 1H4 C 25 1H4 C 25 0.266 4.974 -8.327
281 2H4 C 25 2H4 C 25 -1.455 4.862 -8.722
282 H5 C 25 H5 C 25 -3.181 4.985 -7.063
283 H6 C 25 H6 C 25 -3.667 5.246 -4.632
284 1H2* C 25 H2' C 25 -3.423 6.927 -3.305
285 2H2* C 25 H2'' C 25 -2.082 7.671 -2.392
286 1H5* A 26 H5'' A 26 0.582 6.477 0.227
287 2H5* A 26 H5' A 26 0.365 7.947 1.163
288 H4* A 26 H4' A 26 2.640 7.816 0.239
289 H3* A 26 H3' A 26 0.818 10.002 -0.194
290 H1* A 26 H1' A 26 3.723 8.791 -2.505
291 H8 A 26 H8 A 26 0.041 8.634 -3.858
292 1H6 A 26 1H6 A 26 2.652 7.803 -9.425
293 2H6 A 26 2H6 A 26 1.145 7.989 -8.558
294 H2 A 26 H2 A 26 5.926 8.019 -6.362
295 1H2* A 26 H2' A 26 0.974 10.033 -2.384
296 2H2* A 26 H2'' A 26 2.560 10.816 -2.157
297 1H5* C 27 H5'' C 27 5.134 9.448 -0.642
298 2H5* C 27 H5' C 27 6.107 10.763 0.045
299 H4* C 27 H4' C 27 7.344 9.659 -1.787
300 H3* C 27 H3' C 27 6.453 12.482 -1.905
301 H1* C 27 H1' C 27 7.195 9.890 -4.785
302 1H4 C 27 1H4 C 27 2.636 11.469 -9.063
303 2H4 C 27 2H4 C 27 1.455 11.595 -7.756
304 H5 C 27 H5 C 27 2.023 11.347 -5.406
305 H6 C 27 H6 C 27 3.854 10.927 -3.839
306 1H2* C 27 H2' C 27 6.294 12.628 -4.078
307 2H2* C 27 H2'' C 27 7.935 11.957 -4.318
308 1H5* C 28 H5'' C 28 10.319 11.807 -4.067
309 2H5* C 28 H5' C 28 11.484 12.962 -3.385
310 H4* C 28 H4' C 28 11.661 12.893 -5.871
311 H3* C 28 H3' C 28 11.269 15.272 -4.253
312 H1* C 28 H1' C 28 10.078 14.262 -8.046
313 1H4 C 28 1H4 C 28 4.001 15.582 -9.313
314 2H4 C 28 2H4 C 28 3.517 15.232 -7.654
315 H5 C 28 H5 C 28 5.051 14.644 -5.954
316 H6 C 28 H6 C 28 7.365 14.241 -5.385
317 1H2* C 28 H2' C 28 9.368 15.911 -5.540
318 2H2* C 28 H2'' C 28 10.519 16.338 -6.833
319 1H5* C 29 H5'' C 29 12.745 15.609 -8.690
320 2H5* C 29 H5' C 29 14.213 16.607 -8.399
321 H4* C 29 H4' C 29 13.369 17.229 -10.580
322 H3* C 29 H3' C 29 13.187 19.090 -8.325
323 H1* C 29 H1' C 29 10.922 18.752 -11.520
324 1H4 C 29 1H4 C 29 4.798 18.901 -9.604
325 2H4 C 29 2H4 C 29 5.268 18.522 -7.947
326 H5 C 29 H5 C 29 7.557 18.214 -7.237
327 H6 C 29 H6 C 29 9.895 18.204 -7.968
328 1H2* C 29 H2' C 29 11.231 19.956 -8.797
329 2H2* C 29 H2'' C 29 11.832 20.546 -10.361
330 1H5* C 30 H5'' C 30 13.808 20.715 -12.672
331 2H5* C 30 H5' C 30 14.894 22.118 -12.555
332 H4* C 30 H4' C 30 13.091 22.524 -14.216
333 H3* C 30 H3' C 30 13.482 24.132 -11.772
334 H1* C 30 H1' C 30 10.179 23.409 -13.814
335 1H4 C 30 1H4 C 30 5.785 22.498 -9.234
336 2H4 C 30 2H4 C 30 7.027 22.164 -8.042
337 H5 C 30 H5 C 30 9.401 22.221 -8.532
338 H6 C 30 H6 C 30 11.071 22.605 -10.260
339 H3T C 30 H3T C 30 13.043 24.849 -14.499
340 1H2* C 30 H2' C 30 11.407 24.699 -11.446
341 2H2* C 30 H2'' C 30 11.231 25.328 -13.110
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