NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564432 |
2m93   |
19281 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m93
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1043
_Distance_constraint_stats_list.Viol_count 1278
_Distance_constraint_stats_list.Viol_total 894.340
_Distance_constraint_stats_list.Viol_max 0.890
_Distance_constraint_stats_list.Viol_rms 0.0483
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0700
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 11.708 0.662 6 2 "[ -.+ 1]"
1 2 DT 3.303 0.194 8 0 "[ . 1]"
1 3 DG 3.155 0.194 8 0 "[ . 1]"
1 4 DG 1.585 0.149 3 0 "[ . 1]"
1 5 DG 0.182 0.021 4 0 "[ . 1]"
1 6 DT 0.660 0.149 3 0 "[ . 1]"
1 7 DG 0.613 0.097 2 0 "[ . 1]"
1 8 DG 3.291 0.256 2 0 "[ . 1]"
1 9 DG 3.174 0.219 9 0 "[ . 1]"
1 10 DC 3.828 0.221 9 0 "[ . 1]"
1 11 DG 11.778 0.460 8 0 "[ . 1]"
1 12 DC 9.482 0.460 8 0 "[ . 1]"
1 13 DG 1.435 0.056 9 0 "[ . 1]"
1 14 DA 0.450 0.050 10 0 "[ . 1]"
1 15 DA 0.797 0.111 3 0 "[ . 1]"
1 16 DG 3.252 0.178 3 0 "[ . 1]"
1 17 DC 5.945 0.729 4 1 "[ +. 1]"
1 18 DA 13.621 0.846 9 9 "[ **-****+*]"
1 19 DT 11.149 0.846 9 9 "[-** ****+*]"
1 20 DT 2.929 0.189 8 0 "[ . 1]"
1 21 DC 3.846 0.189 8 0 "[ . 1]"
1 22 DG 3.444 0.193 9 0 "[ . 1]"
1 23 DC 5.311 0.193 9 0 "[ . 1]"
1 24 DG 11.233 0.890 7 10 [**-***+***]
1 25 DG 10.301 0.890 7 10 [**-***+***]
1 26 DG 0.938 0.186 7 0 "[ . 1]"
1 27 DG 0.615 0.153 8 0 "[ . 1]"
1 28 DT 1.221 0.186 7 0 "[ . 1]"
1 29 DG 1.968 0.191 8 0 "[ . 1]"
1 30 DG 3.677 0.228 6 0 "[ . 1]"
1 31 DG 4.782 0.098 9 0 "[ . 1]"
1 32 DT 6.635 0.098 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT H4' 1 1 DT Q5' 2.400 . 3.500 2.347 2.193 2.378 . 0 0 "[ . 1]" 1
2 1 1 DT C7 1 1 DT H6 2.400 . 3.500 2.658 2.656 2.659 . 0 0 "[ . 1]" 1
3 1 1 DT H2' 1 1 DT H6 2.400 . 3.000 2.192 2.179 2.198 . 0 0 "[ . 1]" 1
4 1 1 DT H2'' 1 1 DT H6 3.000 2.250 3.750 3.686 3.659 3.752 0.002 8 0 "[ . 1]" 1
5 1 1 DT C7 1 1 DT H1' 6.000 4.500 8.000 5.833 5.832 5.835 . 0 0 "[ . 1]" 1
6 1 1 DT H1' 1 1 DT H2' 3.800 2.850 4.750 3.024 3.017 3.029 . 0 0 "[ . 1]" 1
7 1 1 DT H1' 1 1 DT H2'' 3.000 2.250 3.750 2.396 2.313 2.481 . 0 0 "[ . 1]" 1
8 1 1 DT H3' 1 1 DT H6 3.800 2.850 4.750 3.978 3.829 4.096 . 0 0 "[ . 1]" 1
9 1 1 DT H1' 1 1 DT H3' 4.800 3.600 6.000 3.823 3.796 3.853 . 0 0 "[ . 1]" 1
10 1 1 DT C7 1 1 DT H2'' 6.000 4.500 8.000 5.887 5.847 5.983 . 0 0 "[ . 1]" 1
11 1 1 DT H2' 1 1 DT H2'' 2.400 . 3.000 1.792 1.790 1.793 0.010 10 0 "[ . 1]" 1
12 1 1 DT C7 1 1 DT H2' 5.500 3.500 8.000 4.586 4.565 4.606 . 0 0 "[ . 1]" 1
13 1 1 DT C7 1 1 DT H3' 6.000 4.500 8.000 6.577 6.424 6.698 . 0 0 "[ . 1]" 1
14 1 1 DT H4' 1 1 DT H6 3.800 2.850 4.750 4.669 4.630 4.689 . 0 0 "[ . 1]" 1
15 1 1 DT H1' 1 1 DT H4' 3.800 2.850 4.750 2.909 2.829 3.043 0.021 10 0 "[ . 1]" 1
16 1 1 DT Q5' 1 1 DT H6 3.800 2.850 5.250 3.328 3.001 4.217 . 0 0 "[ . 1]" 1
17 1 1 DT H1' 1 1 DT Q5' 6.000 4.500 8.000 4.092 4.033 4.176 0.467 6 0 "[ . 1]" 1
18 1 1 DT C7 1 1 DT H4' 6.000 4.500 8.000 7.199 7.163 7.215 . 0 0 "[ . 1]" 1
19 1 1 DT H1' 1 1 DT H6 3.000 2.250 3.750 3.734 3.732 3.739 . 0 0 "[ . 1]" 1
20 1 1 DT H2' 1 1 DT H3' 3.000 2.250 3.750 2.323 2.302 2.349 . 0 0 "[ . 1]" 1
21 1 1 DT H2'' 1 1 DT H3' 3.000 2.250 3.750 2.786 2.675 2.890 . 0 0 "[ . 1]" 1
22 1 1 DT H3' 1 1 DT Q5' 3.000 2.250 4.250 2.433 2.271 2.590 . 0 0 "[ . 1]" 1
23 1 1 DT H3' 1 1 DT H4' 3.000 2.250 3.750 2.883 2.834 2.921 . 0 0 "[ . 1]" 1
24 1 1 DT H2' 1 1 DT H4' 4.800 3.600 6.000 3.871 3.846 3.890 . 0 0 "[ . 1]" 1
25 1 1 DT H2'' 1 1 DT H4' 4.800 3.600 6.000 3.860 3.755 3.972 . 0 0 "[ . 1]" 1
26 1 1 DT C7 1 1 DT Q5' 6.000 4.500 8.500 5.516 5.165 6.318 . 0 0 "[ . 1]" 1
27 1 1 DT H2' 1 1 DT Q5' 4.800 3.600 6.500 3.234 2.938 4.030 0.662 6 2 "[ -.+ 1]" 1
28 1 1 DT H2'' 1 1 DT Q5' 6.000 4.500 8.000 4.267 4.135 4.604 0.365 4 0 "[ . 1]" 1
29 1 1 DT H1' 1 2 DT C7 3.800 2.850 5.250 3.464 3.157 3.788 . 0 0 "[ . 1]" 1
30 1 1 DT H2'' 1 2 DT C7 4.800 3.600 6.500 4.110 3.597 5.510 0.003 5 0 "[ . 1]" 1
31 1 1 DT H2' 1 2 DT C7 5.500 3.500 8.000 5.450 4.423 5.858 . 0 0 "[ . 1]" 1
32 1 1 DT H3' 1 2 DT C7 4.800 3.600 6.500 6.326 5.524 6.549 0.049 2 0 "[ . 1]" 1
33 1 1 DT H1' 1 2 DT H5' 6.000 4.500 7.500 6.202 5.031 6.961 . 0 0 "[ . 1]" 1
34 1 1 DT H1' 1 2 DT H5'' 6.000 4.500 7.500 6.601 4.673 7.507 0.007 4 0 "[ . 1]" 1
35 1 1 DT H4' 1 2 DT C7 4.800 3.600 6.500 5.717 4.462 6.571 0.071 5 0 "[ . 1]" 1
36 1 1 DT H3' 1 2 DT H2' 6.000 4.500 7.500 5.863 4.629 7.013 . 0 0 "[ . 1]" 1
37 1 1 DT H3' 1 2 DT H5' 6.000 4.500 7.500 5.401 4.742 5.774 . 0 0 "[ . 1]" 1
38 1 1 DT H3' 1 2 DT H5'' 6.000 4.500 7.500 5.275 4.644 5.784 . 0 0 "[ . 1]" 1
39 1 1 DT Q5' 1 2 DT C7 6.000 4.500 8.500 6.746 5.131 7.193 . 0 0 "[ . 1]" 1
40 1 1 DT C7 1 29 DG H8 4.800 3.600 6.500 6.270 5.892 6.551 0.051 4 0 "[ . 1]" 1
41 1 1 DT H1' 1 29 DG H1' 4.800 3.600 6.000 5.617 3.604 6.089 0.089 5 0 "[ . 1]" 1
42 1 1 DT Q5' 1 29 DG H1' 6.000 4.500 8.000 6.636 6.431 6.857 . 0 0 "[ . 1]" 1
43 1 1 DT Q5' 1 29 DG H4' 6.000 4.500 8.000 5.857 5.140 7.120 . 0 0 "[ . 1]" 1
44 1 2 DT H4' 1 2 DT H5' 2.400 . 3.000 2.433 2.393 2.470 . 0 0 "[ . 1]" 1
45 1 2 DT H4' 1 2 DT H5'' 2.400 . 3.000 2.537 2.448 3.031 0.031 5 0 "[ . 1]" 1
46 1 2 DT H5' 1 2 DT H5'' 2.400 . 3.000 1.776 1.775 1.777 0.025 5 0 "[ . 1]" 1
47 1 2 DT C7 1 2 DT H6 2.400 . 3.500 2.657 2.652 2.660 . 0 0 "[ . 1]" 1
48 1 2 DT H2' 1 2 DT H6 2.400 . 3.000 2.182 2.165 2.195 . 0 0 "[ . 1]" 1
49 1 2 DT H2'' 1 2 DT H6 3.000 2.250 3.750 2.949 2.210 3.763 0.040 10 0 "[ . 1]" 1
50 1 2 DT C7 1 2 DT H1' 6.000 4.500 8.000 5.647 5.432 5.838 . 0 0 "[ . 1]" 1
51 1 2 DT H1' 1 2 DT H2' 3.800 2.850 4.750 3.023 3.017 3.029 . 0 0 "[ . 1]" 1
52 1 2 DT H1' 1 2 DT H2'' 3.000 2.250 3.750 2.269 2.189 2.522 0.061 4 0 "[ . 1]" 1
53 1 2 DT H3' 1 2 DT H6 3.800 2.850 4.750 4.204 3.905 4.462 . 0 0 "[ . 1]" 1
54 1 2 DT H1' 1 2 DT H3' 3.800 2.850 4.750 3.843 3.804 3.874 . 0 0 "[ . 1]" 1
55 1 2 DT C7 1 2 DT H2'' 4.800 3.600 6.500 5.354 4.847 6.014 . 0 0 "[ . 1]" 1
56 1 2 DT H2' 1 2 DT H2'' 2.400 . 3.000 1.792 1.789 1.793 0.011 8 0 "[ . 1]" 1
57 1 2 DT C7 1 2 DT H2' 4.800 3.600 6.500 4.565 4.550 4.600 . 0 0 "[ . 1]" 1
58 1 2 DT H4' 1 2 DT H6 4.800 3.600 6.000 5.055 4.445 5.507 . 0 0 "[ . 1]" 1
59 1 2 DT H1' 1 2 DT H4' 3.800 2.850 4.750 3.198 2.844 3.515 0.006 5 0 "[ . 1]" 1
60 1 2 DT H5' 1 2 DT H6 4.800 3.600 6.000 5.046 3.658 5.928 . 0 0 "[ . 1]" 1
61 1 2 DT H5'' 1 2 DT H6 4.800 3.600 6.000 5.078 3.539 5.942 0.061 5 0 "[ . 1]" 1
62 1 2 DT H1' 1 2 DT H5' 6.000 4.500 7.500 4.676 4.575 4.867 . 0 0 "[ . 1]" 1
63 1 2 DT H1' 1 2 DT H5'' 6.000 4.500 7.500 4.916 4.549 5.012 . 0 0 "[ . 1]" 1
64 1 2 DT C7 1 2 DT H4' 6.000 4.500 8.000 7.481 6.993 7.812 . 0 0 "[ . 1]" 1
65 1 2 DT H1' 1 2 DT H6 3.000 2.250 3.750 3.478 3.181 3.740 . 0 0 "[ . 1]" 1
66 1 2 DT H2' 1 2 DT H3' 3.000 2.250 3.750 2.348 2.311 2.375 . 0 0 "[ . 1]" 1
67 1 2 DT H2'' 1 2 DT H3' 3.000 2.250 3.750 2.864 2.506 3.004 . 0 0 "[ . 1]" 1
68 1 2 DT H3' 1 2 DT H4' 3.200 . 4.600 2.801 2.710 2.907 . 0 0 "[ . 1]" 1
69 1 2 DT H3' 1 2 DT Q5' 3.000 2.250 4.250 2.421 2.233 2.508 0.017 5 0 "[ . 1]" 1
70 1 2 DT H2' 1 2 DT H4' 4.800 3.600 6.000 3.836 3.796 3.883 . 0 0 "[ . 1]" 1
71 1 2 DT H2'' 1 2 DT H4' 5.500 3.500 7.500 4.005 3.827 4.157 . 0 0 "[ . 1]" 1
72 1 2 DT H2' 1 3 DG H8 4.800 3.600 6.000 3.962 3.520 4.541 0.080 5 0 "[ . 1]" 1
73 1 2 DT H2'' 1 3 DG H8 3.800 2.850 4.750 2.747 2.656 2.807 0.194 8 0 "[ . 1]" 1
74 1 2 DT H1' 1 3 DG H8 4.800 3.600 6.000 4.362 3.623 4.920 . 0 0 "[ . 1]" 1
75 1 2 DT H3' 1 3 DG H8 4.800 3.600 6.000 4.445 3.960 5.147 . 0 0 "[ . 1]" 1
76 1 2 DT H1' 1 3 DG H4' 6.000 4.500 7.500 5.430 4.466 5.947 0.034 8 0 "[ . 1]" 1
77 1 2 DT H5' 1 3 DG H8 6.000 4.500 7.500 7.454 6.810 7.626 0.126 7 0 "[ . 1]" 1
78 1 2 DT H5'' 1 3 DG H8 6.000 4.500 7.500 6.775 6.284 7.151 . 0 0 "[ . 1]" 1
79 1 2 DT H6 1 3 DG H8 4.800 3.600 6.000 4.900 4.206 5.599 . 0 0 "[ . 1]" 1
80 1 2 DT C7 1 29 DG H8 4.800 3.600 6.500 6.419 5.904 6.581 0.081 1 0 "[ . 1]" 1
81 1 2 DT C7 1 29 DG H1' 4.800 3.600 6.500 5.987 5.268 6.497 . 0 0 "[ . 1]" 1
82 1 3 DG H2' 1 3 DG H8 2.400 . 3.000 2.301 2.198 2.396 . 0 0 "[ . 1]" 1
83 1 3 DG H2'' 1 3 DG H8 3.000 2.250 3.750 3.778 3.740 3.818 0.068 9 0 "[ . 1]" 1
84 1 3 DG H1' 1 3 DG H8 3.800 2.850 4.750 3.905 3.893 3.916 . 0 0 "[ . 1]" 1
85 1 3 DG H1' 1 3 DG H2' 3.800 2.850 4.750 3.019 3.006 3.027 . 0 0 "[ . 1]" 1
86 1 3 DG H1' 1 3 DG H2'' 3.000 2.250 3.750 2.388 2.291 2.446 . 0 0 "[ . 1]" 1
87 1 3 DG H3' 1 3 DG H8 3.800 2.850 4.750 4.242 4.186 4.289 . 0 0 "[ . 1]" 1
88 1 3 DG H1' 1 3 DG H3' 3.800 2.850 4.750 3.850 3.803 3.907 . 0 0 "[ . 1]" 1
89 1 3 DG H2' 1 3 DG H2'' 2.400 . 3.000 1.791 1.790 1.792 0.010 3 0 "[ . 1]" 1
90 1 3 DG H4' 1 3 DG H8 4.800 3.600 6.000 4.908 4.649 5.096 . 0 0 "[ . 1]" 1
91 1 3 DG H1' 1 3 DG H4' 3.200 . 4.600 3.135 2.693 3.558 . 0 0 "[ . 1]" 1
92 1 3 DG H2' 1 3 DG H3' 3.000 2.250 3.750 2.338 2.305 2.362 . 0 0 "[ . 1]" 1
93 1 3 DG H2'' 1 3 DG H3' 3.000 2.250 3.750 2.755 2.625 2.889 . 0 0 "[ . 1]" 1
94 1 3 DG H3' 1 3 DG H4' 2.400 . 3.000 2.819 2.712 2.939 . 0 0 "[ . 1]" 1
95 1 3 DG H2' 1 3 DG H4' 5.500 3.500 7.500 3.841 3.818 3.865 . 0 0 "[ . 1]" 1
96 1 3 DG H2'' 1 3 DG H4' 4.800 3.600 6.000 3.936 3.710 4.130 . 0 0 "[ . 1]" 1
97 1 3 DG H2' 1 4 DG H8 3.800 2.850 4.750 3.740 3.665 3.881 . 0 0 "[ . 1]" 1
98 1 3 DG H2'' 1 4 DG H8 3.000 2.250 3.750 2.570 2.418 2.690 . 0 0 "[ . 1]" 1
99 1 3 DG H1' 1 4 DG H8 3.200 . 4.600 3.198 2.809 3.457 . 0 0 "[ . 1]" 1
100 1 3 DG H3' 1 4 DG H8 5.500 3.500 7.500 5.312 5.182 5.437 . 0 0 "[ . 1]" 1
101 1 3 DG H2'' 1 4 DG H2' 6.000 4.500 7.500 4.435 4.369 4.454 0.131 3 0 "[ . 1]" 1
102 1 3 DG H4' 1 4 DG H8 6.000 4.500 7.500 5.976 5.701 6.357 . 0 0 "[ . 1]" 1
103 1 3 DG H1' 1 4 DG H4' 4.800 3.600 6.000 4.613 4.420 4.896 . 0 0 "[ . 1]" 1
104 1 3 DG H8 1 4 DG H8 3.800 2.850 4.750 4.743 4.548 4.839 0.089 3 0 "[ . 1]" 1
105 1 3 DG H2'' 1 4 DG H4' 6.000 4.500 7.500 5.312 5.125 5.530 . 0 0 "[ . 1]" 1
106 1 4 DG H2' 1 4 DG H8 2.400 . 3.000 2.796 2.731 2.861 . 0 0 "[ . 1]" 1
107 1 4 DG H2'' 1 4 DG H8 3.200 . 4.600 4.169 3.956 4.251 . 0 0 "[ . 1]" 1
108 1 4 DG H1' 1 4 DG H2' 3.800 2.850 4.750 3.017 3.012 3.027 . 0 0 "[ . 1]" 1
109 1 4 DG H1' 1 4 DG H2'' 3.000 2.250 3.750 2.311 2.200 2.367 0.050 3 0 "[ . 1]" 1
110 1 4 DG H1' 1 4 DG H8 3.800 2.850 4.750 3.903 3.897 3.914 . 0 0 "[ . 1]" 1
111 1 4 DG H3' 1 4 DG H8 5.500 3.500 7.500 4.321 4.237 4.475 . 0 0 "[ . 1]" 1
112 1 4 DG H1' 1 4 DG H3' 3.800 2.850 4.750 3.854 3.810 3.870 . 0 0 "[ . 1]" 1
113 1 4 DG H2' 1 4 DG H2'' 2.400 . 3.000 1.791 1.790 1.792 0.010 3 0 "[ . 1]" 1
114 1 4 DG H4' 1 4 DG H8 4.800 3.600 6.000 4.820 4.795 4.876 . 0 0 "[ . 1]" 1
115 1 4 DG H1' 1 4 DG H4' 3.000 2.250 3.750 2.860 2.780 2.902 . 0 0 "[ . 1]" 1
116 1 4 DG H2' 1 4 DG H3' 3.000 2.250 3.750 2.306 2.294 2.324 . 0 0 "[ . 1]" 1
117 1 4 DG H2'' 1 4 DG H3' 3.000 2.250 3.750 2.890 2.832 2.992 . 0 0 "[ . 1]" 1
118 1 4 DG H3' 1 4 DG H4' 3.000 2.250 3.750 2.914 2.886 2.945 . 0 0 "[ . 1]" 1
119 1 4 DG H2' 1 4 DG H4' 3.800 2.850 4.750 3.890 3.866 3.900 . 0 0 "[ . 1]" 1
120 1 4 DG H2'' 1 4 DG H4' 4.800 3.600 6.000 3.784 3.692 3.896 . 0 0 "[ . 1]" 1
121 1 4 DG H2' 1 5 DG H8 4.650 . 7.500 3.297 3.011 4.022 . 0 0 "[ . 1]" 1
122 1 4 DG H2'' 1 5 DG H8 2.400 . 3.000 2.416 2.246 2.757 . 0 0 "[ . 1]" 1
123 1 4 DG H2'' 1 5 DG H1' 6.000 4.500 7.500 5.243 4.960 5.869 . 0 0 "[ . 1]" 1
124 1 4 DG H1' 1 5 DG H1' 6.000 4.500 7.500 5.576 5.425 6.212 . 0 0 "[ . 1]" 1
125 1 4 DG H3' 1 5 DG H8 5.500 3.500 7.500 5.086 4.868 5.621 . 0 0 "[ . 1]" 1
126 1 4 DG H1' 1 5 DG H8 3.200 . 4.600 3.836 3.672 4.100 . 0 0 "[ . 1]" 1
127 1 4 DG H4' 1 5 DG H8 5.500 3.500 7.500 6.078 5.901 6.510 . 0 0 "[ . 1]" 1
128 1 4 DG H1' 1 5 DG H4' 4.800 3.600 6.000 4.832 4.490 5.126 . 0 0 "[ . 1]" 1
129 1 5 DG H2'' 1 5 DG H8 3.200 . 4.600 4.210 4.032 4.483 . 0 0 "[ . 1]" 1
130 1 5 DG H2' 1 5 DG H8 4.650 . 7.500 2.784 2.482 3.167 . 0 0 "[ . 1]" 1
131 1 5 DG H1' 1 5 DG H2'' 3.000 2.250 3.750 2.409 2.390 2.429 . 0 0 "[ . 1]" 1
132 1 5 DG H1' 1 5 DG H2' 3.800 2.850 4.750 3.021 3.001 3.027 . 0 0 "[ . 1]" 1
133 1 5 DG H3' 1 5 DG H8 3.800 2.850 4.750 4.433 4.222 4.765 0.015 10 0 "[ . 1]" 1
134 1 5 DG H1' 1 5 DG H3' 3.800 2.850 4.750 3.842 3.815 3.921 . 0 0 "[ . 1]" 1
135 1 5 DG H1' 1 5 DG H8 3.800 2.850 4.750 3.894 3.838 3.914 . 0 0 "[ . 1]" 1
136 1 5 DG H2' 1 5 DG H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 7 0 "[ . 1]" 1
137 1 5 DG H4' 1 5 DG H8 4.800 3.600 6.000 4.756 4.518 4.878 . 0 0 "[ . 1]" 1
138 1 5 DG H1' 1 5 DG H4' 3.800 2.850 4.750 3.026 2.836 3.586 0.014 9 0 "[ . 1]" 1
139 1 5 DG H2'' 1 5 DG H3' 3.000 2.250 3.750 2.752 2.680 2.809 . 0 0 "[ . 1]" 1
140 1 5 DG H2' 1 5 DG H3' 3.000 2.250 3.750 2.326 2.297 2.362 . 0 0 "[ . 1]" 1
141 1 5 DG H3' 1 5 DG H4' 3.000 2.250 3.750 2.856 2.708 2.922 . 0 0 "[ . 1]" 1
142 1 5 DG H2'' 1 5 DG H4' 4.800 3.600 6.000 3.888 3.738 4.089 . 0 0 "[ . 1]" 1
143 1 5 DG H2' 1 5 DG H4' 3.800 2.850 4.750 3.866 3.827 3.896 . 0 0 "[ . 1]" 1
144 1 5 DG H3' 1 6 DT C7 6.000 4.500 8.000 7.441 6.974 8.018 0.018 6 0 "[ . 1]" 1
145 1 5 DG H4' 1 6 DT H3' 3.200 . 4.600 2.703 2.198 3.899 . 0 0 "[ . 1]" 1
146 1 5 DG H4' 1 6 DT H2' 4.800 3.600 6.000 3.945 3.593 4.739 0.007 5 0 "[ . 1]" 1
147 1 5 DG H4' 1 6 DT H2'' 5.500 3.500 7.500 5.245 4.871 6.219 . 0 0 "[ . 1]" 1
148 1 6 DT C7 1 6 DT H6 2.400 . 3.500 2.658 2.657 2.659 . 0 0 "[ . 1]" 1
149 1 6 DT H2' 1 6 DT H6 2.400 . 3.000 2.209 2.192 2.310 . 0 0 "[ . 1]" 1
150 1 6 DT H2'' 1 6 DT H6 3.000 2.250 3.750 3.603 3.530 3.752 0.002 10 0 "[ . 1]" 1
151 1 6 DT C7 1 6 DT H1' 6.000 4.500 8.000 5.831 5.827 5.833 . 0 0 "[ . 1]" 1
152 1 6 DT H1' 1 6 DT H2' 3.000 2.250 3.750 3.023 3.002 3.028 . 0 0 "[ . 1]" 1
153 1 6 DT H1' 1 6 DT H2'' 2.400 . 3.000 2.257 2.192 2.391 . 0 0 "[ . 1]" 1
154 1 6 DT H1' 1 6 DT H6 3.800 2.850 4.750 3.732 3.728 3.734 . 0 0 "[ . 1]" 1
155 1 6 DT H3' 1 6 DT H6 3.200 . 4.600 4.024 3.830 4.117 . 0 0 "[ . 1]" 1
156 1 6 DT H1' 1 6 DT H3' 3.800 2.850 4.750 3.830 3.810 3.925 . 0 0 "[ . 1]" 1
157 1 6 DT C7 1 6 DT H2'' 6.000 4.500 8.000 5.764 5.673 5.991 . 0 0 "[ . 1]" 1
158 1 6 DT H2' 1 6 DT H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 2 0 "[ . 1]" 1
159 1 6 DT C7 1 6 DT H2' 4.800 3.600 6.500 4.593 4.537 4.664 . 0 0 "[ . 1]" 1
160 1 6 DT C7 1 6 DT H3' 6.000 4.500 8.000 6.618 6.406 6.704 . 0 0 "[ . 1]" 1
161 1 6 DT H4' 1 6 DT H6 3.800 2.850 4.750 4.579 4.372 4.659 . 0 0 "[ . 1]" 1
162 1 6 DT H1' 1 6 DT H4' 3.000 2.250 3.750 3.093 2.921 3.442 . 0 0 "[ . 1]" 1
163 1 6 DT H2' 1 6 DT H3' 3.000 2.250 3.750 2.341 2.318 2.369 . 0 0 "[ . 1]" 1
164 1 6 DT H2'' 1 6 DT H3' 3.000 2.250 3.750 2.906 2.740 2.983 . 0 0 "[ . 1]" 1
165 1 6 DT H3' 1 6 DT H4' 3.000 2.250 3.750 2.830 2.760 2.885 . 0 0 "[ . 1]" 1
166 1 6 DT H2' 1 6 DT H4' 3.800 2.850 4.750 3.858 3.822 3.880 . 0 0 "[ . 1]" 1
167 1 6 DT H2'' 1 6 DT H4' 4.800 3.600 6.000 3.988 3.853 4.106 . 0 0 "[ . 1]" 1
168 1 6 DT H4' 1 7 DG H8 6.000 4.500 7.500 6.640 5.968 7.141 . 0 0 "[ . 1]" 1
169 1 6 DT H1' 1 7 DG H4' 6.000 4.500 7.500 6.461 5.898 7.298 . 0 0 "[ . 1]" 1
170 1 6 DT H4' 1 7 DG H3' 3.200 . 4.600 3.209 2.636 3.730 . 0 0 "[ . 1]" 1
171 1 6 DT H4' 1 7 DG H2'' 6.000 4.500 7.500 5.193 4.615 5.722 . 0 0 "[ . 1]" 1
172 1 6 DT H4' 1 8 DG H8 6.000 4.500 7.500 6.815 6.131 7.578 0.078 10 0 "[ . 1]" 1
173 1 7 DG H2' 1 7 DG H8 3.000 2.250 3.750 2.617 2.487 2.750 . 0 0 "[ . 1]" 1
174 1 7 DG H2'' 1 7 DG H8 3.800 2.850 4.750 4.092 3.669 4.231 . 0 0 "[ . 1]" 1
175 1 7 DG H1' 1 7 DG H8 3.800 2.850 4.750 3.912 3.905 3.923 . 0 0 "[ . 1]" 1
176 1 7 DG H1' 1 7 DG H2' 3.800 2.850 4.750 3.019 2.994 3.035 . 0 0 "[ . 1]" 1
177 1 7 DG H1' 1 7 DG H2'' 3.000 2.250 3.750 2.427 2.188 2.490 0.062 7 0 "[ . 1]" 1
178 1 7 DG H3' 1 7 DG H8 3.800 2.850 4.750 4.354 4.154 4.578 . 0 0 "[ . 1]" 1
179 1 7 DG H1' 1 7 DG H3' 3.800 2.850 4.750 3.848 3.754 3.932 . 0 0 "[ . 1]" 1
180 1 7 DG H2' 1 7 DG H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 8 0 "[ . 1]" 1
181 1 7 DG H4' 1 7 DG H8 4.800 3.600 6.000 4.795 4.543 4.932 . 0 0 "[ . 1]" 1
182 1 7 DG H1' 1 7 DG H4' 3.200 . 4.600 3.110 2.902 3.558 . 0 0 "[ . 1]" 1
183 1 7 DG H2' 1 7 DG H3' 3.000 2.250 3.750 2.329 2.304 2.370 . 0 0 "[ . 1]" 1
184 1 7 DG H2'' 1 7 DG H3' 3.000 2.250 3.750 2.702 2.595 2.986 . 0 0 "[ . 1]" 1
185 1 7 DG H3' 1 7 DG H4' 3.000 2.250 3.750 2.835 2.731 2.904 . 0 0 "[ . 1]" 1
186 1 7 DG H2' 1 7 DG H4' 3.800 2.850 4.750 3.866 3.805 3.892 . 0 0 "[ . 1]" 1
187 1 7 DG H2'' 1 7 DG H4' 5.500 3.500 7.500 3.910 3.768 4.073 . 0 0 "[ . 1]" 1
188 1 7 DG H2' 1 8 DG H8 3.000 2.250 3.750 3.246 3.117 3.799 0.049 7 0 "[ . 1]" 1
189 1 7 DG H2'' 1 8 DG H8 2.400 . 3.000 2.199 2.170 2.204 . 0 0 "[ . 1]" 1
190 1 7 DG H1' 1 8 DG H8 3.800 2.850 4.750 3.469 3.138 3.662 . 0 0 "[ . 1]" 1
191 1 7 DG H3' 1 8 DG H8 3.800 2.850 4.750 4.767 4.605 4.847 0.097 2 0 "[ . 1]" 1
192 1 7 DG H4' 1 8 DG H8 6.000 4.500 7.500 5.875 5.802 6.045 . 0 0 "[ . 1]" 1
193 1 7 DG H2' 1 8 DG H4' 6.000 4.500 7.500 6.845 6.529 7.423 . 0 0 "[ . 1]" 1
194 1 7 DG H2'' 1 8 DG H4' 4.800 3.600 6.000 5.152 4.784 5.819 . 0 0 "[ . 1]" 1
195 1 7 DG H8 1 8 DG H8 5.500 3.500 7.500 4.928 4.652 5.548 . 0 0 "[ . 1]" 1
196 1 8 DG H2' 1 8 DG H8 3.200 . 4.600 2.540 2.403 2.913 . 0 0 "[ . 1]" 1
197 1 8 DG H2'' 1 8 DG H8 3.000 2.250 3.750 3.846 3.785 4.006 0.256 2 0 "[ . 1]" 1
198 1 8 DG H1' 1 8 DG H8 3.800 2.850 4.750 3.911 3.872 3.918 . 0 0 "[ . 1]" 1
199 1 8 DG H1' 1 8 DG H2' 3.000 2.250 3.750 3.029 3.025 3.036 . 0 0 "[ . 1]" 1
200 1 8 DG H1' 1 8 DG H2'' 3.000 2.250 3.750 2.293 2.161 2.451 0.089 2 0 "[ . 1]" 1
201 1 8 DG H3' 1 8 DG H8 3.800 2.850 4.750 4.461 4.239 4.714 . 0 0 "[ . 1]" 1
202 1 8 DG H1' 1 8 DG H3' 3.800 2.850 4.750 3.797 3.775 3.822 . 0 0 "[ . 1]" 1
203 1 8 DG H2' 1 8 DG H2'' 2.400 . 3.000 1.791 1.788 1.792 0.012 7 0 "[ . 1]" 1
204 1 8 DG H4' 1 8 DG H8 4.800 3.600 6.000 4.892 4.641 5.007 . 0 0 "[ . 1]" 1
205 1 8 DG H1' 1 8 DG H4' 3.800 2.850 4.750 3.043 2.760 3.184 0.090 7 0 "[ . 1]" 1
206 1 8 DG H2' 1 8 DG H3' 2.400 . 3.000 2.344 2.306 2.368 . 0 0 "[ . 1]" 1
207 1 8 DG H2'' 1 8 DG H3' 3.000 2.250 3.750 2.871 2.672 2.994 . 0 0 "[ . 1]" 1
208 1 8 DG H3' 1 8 DG H4' 3.000 2.250 3.750 2.833 2.780 2.923 . 0 0 "[ . 1]" 1
209 1 8 DG H2' 1 8 DG H4' 4.800 3.600 6.000 3.837 3.796 3.867 . 0 0 "[ . 1]" 1
210 1 8 DG H2'' 1 8 DG H4' 4.800 3.600 6.000 3.989 3.743 4.091 . 0 0 "[ . 1]" 1
211 1 8 DG H2' 1 9 DG H8 4.650 . 7.500 3.760 3.473 3.939 . 0 0 "[ . 1]" 1
212 1 8 DG H2'' 1 9 DG H8 2.400 . 3.000 2.181 2.162 2.198 . 0 0 "[ . 1]" 1
213 1 8 DG H1' 1 9 DG H1' 6.000 4.500 7.500 5.541 4.487 6.496 0.013 4 0 "[ . 1]" 1
214 1 8 DG H3' 1 9 DG H8 3.800 2.850 4.750 4.857 4.790 4.924 0.174 5 0 "[ . 1]" 1
215 1 8 DG H1' 1 9 DG H8 3.000 2.250 3.750 3.352 3.097 3.763 0.013 2 0 "[ . 1]" 1
216 1 8 DG H1' 1 9 DG H3' 6.000 4.500 7.500 6.200 5.722 7.112 . 0 0 "[ . 1]" 1
217 1 8 DG H4' 1 9 DG H8 4.800 3.600 6.000 5.739 5.452 6.135 0.135 2 0 "[ . 1]" 1
218 1 8 DG H1' 1 9 DG H4' 4.800 3.600 6.000 5.104 4.475 5.469 . 0 0 "[ . 1]" 1
219 1 8 DG H8 1 9 DG H8 4.800 3.600 6.000 5.373 4.845 5.682 . 0 0 "[ . 1]" 1
220 1 9 DG Q2' 1 9 DG H8 3.000 2.250 4.250 2.613 2.180 3.354 0.070 2 0 "[ . 1]" 1
221 1 9 DG H1' 1 9 DG Q2' 3.000 2.250 4.250 2.295 2.149 2.328 0.101 4 0 "[ . 1]" 1
222 1 9 DG H3' 1 9 DG H8 3.800 2.850 4.750 4.441 4.037 4.806 0.056 4 0 "[ . 1]" 1
223 1 9 DG H1' 1 9 DG H8 3.800 2.850 4.750 3.893 3.777 3.918 . 0 0 "[ . 1]" 1
224 1 9 DG H1' 1 9 DG H3' 3.800 2.850 4.750 3.855 3.792 3.951 . 0 0 "[ . 1]" 1
225 1 9 DG H4' 1 9 DG H8 5.500 3.500 7.500 4.695 4.171 4.854 . 0 0 "[ . 1]" 1
226 1 9 DG H1' 1 9 DG H4' 3.800 2.850 4.750 3.321 3.073 3.621 . 0 0 "[ . 1]" 1
227 1 9 DG Q2' 1 9 DG H3' 3.000 2.250 4.250 2.223 2.204 2.266 0.046 7 0 "[ . 1]" 1
228 1 9 DG H3' 1 9 DG H4' 3.000 2.250 3.750 2.768 2.699 2.844 . 0 0 "[ . 1]" 1
229 1 9 DG Q2' 1 9 DG H4' 5.500 3.500 8.000 3.499 3.472 3.530 0.028 7 0 "[ . 1]" 1
230 1 9 DG H3' 1 10 DC H6 5.500 3.500 7.500 4.891 3.791 6.536 . 0 0 "[ . 1]" 1
231 1 9 DG H3' 1 10 DC H5 6.000 4.500 7.500 5.173 4.433 6.972 0.067 2 0 "[ . 1]" 1
232 1 9 DG H1' 1 10 DC H4' 6.000 4.500 7.500 7.137 6.506 7.719 0.219 9 0 "[ . 1]" 1
233 1 9 DG H4' 1 10 DC H5 4.800 3.600 6.000 5.829 4.537 6.055 0.055 7 0 "[ . 1]" 1
234 1 9 DG H4' 1 10 DC H1' 6.000 4.500 7.500 7.083 5.260 7.712 0.212 2 0 "[ . 1]" 1
235 1 10 DC H4' 1 10 DC H5' 2.400 . 3.000 2.488 2.391 3.032 0.032 9 0 "[ . 1]" 1
236 1 10 DC H4' 1 10 DC H5'' 2.400 . 3.000 2.593 2.413 3.036 0.036 1 0 "[ . 1]" 1
237 1 10 DC H5' 1 10 DC H5'' 2.400 . 3.000 1.776 1.775 1.777 0.025 10 0 "[ . 1]" 1
238 1 10 DC H5' 1 10 DC H6 4.800 3.600 6.000 4.402 3.655 6.031 0.031 4 0 "[ . 1]" 1
239 1 10 DC H5'' 1 10 DC H6 4.800 3.600 6.000 4.526 3.555 6.093 0.093 4 0 "[ . 1]" 1
240 1 10 DC H2' 1 10 DC H6 3.200 . 4.600 2.193 2.153 2.283 . 0 0 "[ . 1]" 1
241 1 10 DC H2'' 1 10 DC H6 3.200 . 4.600 3.295 2.179 3.811 . 0 0 "[ . 1]" 1
242 1 10 DC H2' 1 10 DC H5 3.800 2.850 4.750 4.358 4.333 4.401 . 0 0 "[ . 1]" 1
243 1 10 DC H2'' 1 10 DC H5 4.800 3.600 6.000 5.309 4.579 5.697 . 0 0 "[ . 1]" 1
244 1 10 DC H1' 1 10 DC H2' 3.800 2.850 4.750 3.023 3.017 3.034 . 0 0 "[ . 1]" 1
245 1 10 DC H1' 1 10 DC H2'' 3.000 2.250 3.750 2.311 2.187 2.667 0.063 4 0 "[ . 1]" 1
246 1 10 DC H1' 1 10 DC H5 5.500 3.500 7.500 5.344 5.086 5.442 . 0 0 "[ . 1]" 1
247 1 10 DC H3' 1 10 DC H6 4.800 3.600 6.000 4.164 3.994 4.463 . 0 0 "[ . 1]" 1
248 1 10 DC H3' 1 10 DC H5 6.000 4.500 7.500 6.535 6.405 6.754 . 0 0 "[ . 1]" 1
249 1 10 DC H1' 1 10 DC H3' 4.800 3.600 6.000 3.826 3.783 3.865 . 0 0 "[ . 1]" 1
250 1 10 DC H2' 1 10 DC H2'' 2.400 . 3.000 1.792 1.791 1.796 0.009 7 0 "[ . 1]" 1
251 1 10 DC H4' 1 10 DC H6 4.800 3.600 6.000 4.795 4.415 5.495 . 0 0 "[ . 1]" 1
252 1 10 DC H1' 1 10 DC H6 3.000 2.250 3.750 3.589 3.192 3.739 . 0 0 "[ . 1]" 1
253 1 10 DC H5 1 10 DC H6 2.400 . 3.000 2.450 2.447 2.452 . 0 0 "[ . 1]" 1
254 1 10 DC H1' 1 10 DC H4' 3.200 . 4.600 3.224 2.841 3.534 . 0 0 "[ . 1]" 1
255 1 10 DC H2' 1 10 DC H3' 3.000 2.250 3.750 2.358 2.327 2.385 . 0 0 "[ . 1]" 1
256 1 10 DC H2'' 1 10 DC H3' 3.000 2.250 3.750 2.782 2.189 3.005 0.061 9 0 "[ . 1]" 1
257 1 10 DC H3' 1 10 DC H4' 3.000 2.250 3.750 2.785 2.699 2.888 . 0 0 "[ . 1]" 1
258 1 10 DC H3' 1 10 DC H5' 3.000 2.250 3.750 3.360 2.480 3.657 . 0 0 "[ . 1]" 1
259 1 10 DC H3' 1 10 DC H5'' 3.000 2.250 3.750 2.593 2.387 3.682 . 0 0 "[ . 1]" 1
260 1 10 DC H2' 1 10 DC H4' 5.500 3.500 7.500 3.824 3.771 3.869 . 0 0 "[ . 1]" 1
261 1 10 DC H2'' 1 10 DC H4' 4.800 3.600 6.000 4.003 3.825 4.138 . 0 0 "[ . 1]" 1
262 1 10 DC H1' 1 11 DG H8 6.000 4.500 7.500 6.133 4.376 6.779 0.124 8 0 "[ . 1]" 1
263 1 10 DC H2' 1 11 DG H8 4.800 3.600 6.000 5.464 4.397 5.969 . 0 0 "[ . 1]" 1
264 1 10 DC H2'' 1 11 DG H8 5.500 3.500 7.500 4.930 3.477 5.754 0.023 1 0 "[ . 1]" 1
265 1 10 DC H1' 1 11 DG Q2' 6.000 4.500 8.000 6.694 5.948 7.050 . 0 0 "[ . 1]" 1
266 1 10 DC H3' 1 11 DG H8 4.800 3.600 6.000 3.952 3.544 4.972 0.056 5 0 "[ . 1]" 1
267 1 10 DC H1' 1 11 DG H3' 6.000 4.500 7.500 6.678 5.922 7.081 . 0 0 "[ . 1]" 1
268 1 10 DC H2'' 1 11 DG Q2' 6.000 4.500 8.000 5.382 4.487 5.947 0.013 9 0 "[ . 1]" 1
269 1 10 DC H4' 1 11 DG H8 6.000 4.500 7.500 5.526 4.800 7.151 . 0 0 "[ . 1]" 1
270 1 10 DC H6 1 11 DG H4' 6.000 4.500 7.500 6.081 4.980 7.561 0.061 8 0 "[ . 1]" 1
271 1 10 DC H1' 1 11 DG H4' 6.000 4.500 7.500 6.190 4.445 6.786 0.055 1 0 "[ . 1]" 1
272 1 10 DC H2' 1 11 DG H3' 5.500 3.500 7.500 6.129 5.423 7.217 . 0 0 "[ . 1]" 1
273 1 10 DC H2'' 1 11 DG H3' 5.500 3.500 7.500 5.134 4.721 6.431 . 0 0 "[ . 1]" 1
274 1 10 DC H6 1 11 DG H8 5.500 3.500 7.500 7.076 4.475 7.632 0.132 4 0 "[ . 1]" 1
275 1 10 DC H2'' 1 11 DG H4' 6.000 4.500 7.500 4.708 4.279 6.290 0.221 9 0 "[ . 1]" 1
276 1 11 DG H1' 1 11 DG H8 3.800 2.850 4.750 3.914 3.900 3.921 . 0 0 "[ . 1]" 1
277 1 11 DG Q2' 1 11 DG H8 3.000 2.250 4.250 2.410 2.209 2.507 0.041 9 0 "[ . 1]" 1
278 1 11 DG H1' 1 11 DG Q2' 3.000 2.250 4.250 2.283 2.208 2.345 0.042 10 0 "[ . 1]" 1
279 1 11 DG H3' 1 11 DG H8 3.800 2.850 4.750 4.250 4.078 4.342 . 0 0 "[ . 1]" 1
280 1 11 DG H1' 1 11 DG H3' 3.800 2.850 4.750 3.869 3.851 3.890 . 0 0 "[ . 1]" 1
281 1 11 DG H4' 1 11 DG H8 4.800 3.600 6.000 4.803 4.661 4.981 . 0 0 "[ . 1]" 1
282 1 11 DG H1' 1 11 DG H4' 3.800 2.850 4.750 3.234 2.704 3.476 0.146 8 0 "[ . 1]" 1
283 1 11 DG Q2' 1 11 DG H3' 3.000 2.250 4.250 2.218 2.199 2.252 0.051 3 0 "[ . 1]" 1
284 1 11 DG H3' 1 11 DG H4' 2.400 . 3.000 2.801 2.732 2.961 . 0 0 "[ . 1]" 1
285 1 11 DG Q2' 1 11 DG H4' 4.800 3.600 6.500 3.473 3.329 3.516 0.271 8 0 "[ . 1]" 1
286 1 11 DG H8 1 12 DC H5 4.800 3.600 6.000 4.716 4.523 5.107 . 0 0 "[ . 1]" 1
287 1 11 DG Q2' 1 12 DC H6 3.800 2.850 5.250 2.509 2.394 2.578 0.456 8 0 "[ . 1]" 1
288 1 11 DG Q2' 1 12 DC H5 5.500 3.500 8.000 3.370 3.268 3.449 0.232 10 0 "[ . 1]" 1
289 1 11 DG Q2' 1 12 DC H1' 6.000 4.500 8.000 5.477 5.176 5.726 . 0 0 "[ . 1]" 1
290 1 11 DG H1' 1 12 DC H5 4.800 3.600 6.000 4.639 4.181 5.006 . 0 0 "[ . 1]" 1
291 1 11 DG H3' 1 12 DC H6 4.800 3.600 6.000 5.247 5.220 5.303 . 0 0 "[ . 1]" 1
292 1 11 DG H3' 1 12 DC H5 4.800 3.600 6.000 6.043 6.006 6.069 0.069 10 0 "[ . 1]" 1
293 1 11 DG H1' 1 12 DC H3' 6.000 4.500 7.500 5.513 5.245 5.888 . 0 0 "[ . 1]" 1
294 1 11 DG Q2' 1 12 DC H2' 6.000 4.500 8.000 4.225 4.040 4.490 0.460 8 0 "[ . 1]" 1
295 1 11 DG H4' 1 12 DC H6 6.000 4.500 7.500 6.126 5.843 6.242 . 0 0 "[ . 1]" 1
296 1 11 DG H1' 1 12 DC H4' 4.800 3.600 6.000 4.436 4.142 4.695 . 0 0 "[ . 1]" 1
297 1 11 DG H4' 1 12 DC H5 6.000 4.500 7.500 7.275 7.073 7.378 . 0 0 "[ . 1]" 1
298 1 11 DG H1' 1 12 DC H6 4.650 . 7.500 3.452 3.147 3.841 . 0 0 "[ . 1]" 1
299 1 11 DG H1' 1 12 DC H2' 4.800 3.600 6.000 5.111 4.856 5.490 . 0 0 "[ . 1]" 1
300 1 11 DG H1' 1 12 DC H2'' 6.000 4.500 7.500 6.331 6.074 6.679 . 0 0 "[ . 1]" 1
301 1 11 DG H8 1 12 DC H6 4.800 3.600 6.000 5.434 5.257 5.670 . 0 0 "[ . 1]" 1
302 1 12 DC H2' 1 12 DC H6 3.000 2.250 3.750 2.353 2.325 2.390 . 0 0 "[ . 1]" 1
303 1 12 DC H2'' 1 12 DC H6 3.800 2.850 4.750 3.869 3.836 3.906 . 0 0 "[ . 1]" 1
304 1 12 DC H1' 1 12 DC H2' 3.800 2.850 4.750 3.024 3.023 3.025 . 0 0 "[ . 1]" 1
305 1 12 DC H1' 1 12 DC H2'' 3.000 2.250 3.750 2.449 2.415 2.487 . 0 0 "[ . 1]" 1
306 1 12 DC H2' 1 12 DC H5 4.800 3.600 6.000 4.431 4.413 4.454 . 0 0 "[ . 1]" 1
307 1 12 DC H2'' 1 12 DC H5 6.000 4.500 7.500 5.735 5.695 5.769 . 0 0 "[ . 1]" 1
308 1 12 DC H1' 1 12 DC H5 6.000 4.500 7.500 5.437 5.435 5.438 . 0 0 "[ . 1]" 1
309 1 12 DC H3' 1 12 DC H6 5.500 3.500 7.500 4.047 4.010 4.096 . 0 0 "[ . 1]" 1
310 1 12 DC H1' 1 12 DC H3' 3.800 2.850 4.750 3.833 3.826 3.841 . 0 0 "[ . 1]" 1
311 1 12 DC H3' 1 12 DC H5 6.000 4.500 7.500 6.433 6.399 6.472 . 0 0 "[ . 1]" 1
312 1 12 DC H2' 1 12 DC H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 2 0 "[ . 1]" 1
313 1 12 DC H4' 1 12 DC H6 4.800 3.600 6.000 4.546 4.492 4.571 . 0 0 "[ . 1]" 1
314 1 12 DC H1' 1 12 DC H4' 3.200 . 4.600 3.014 2.949 3.105 . 0 0 "[ . 1]" 1
315 1 12 DC H5 1 12 DC H6 2.400 . 3.000 2.450 2.449 2.452 . 0 0 "[ . 1]" 1
316 1 12 DC H1' 1 12 DC H6 4.650 . 7.500 3.728 3.726 3.730 . 0 0 "[ . 1]" 1
317 1 12 DC H2' 1 12 DC H3' 3.000 2.250 3.750 2.328 2.319 2.337 . 0 0 "[ . 1]" 1
318 1 12 DC H2'' 1 12 DC H3' 3.000 2.250 3.750 2.698 2.648 2.754 . 0 0 "[ . 1]" 1
319 1 12 DC H3' 1 12 DC H4' 2.400 . 3.000 2.857 2.830 2.879 . 0 0 "[ . 1]" 1
320 1 12 DC H2' 1 12 DC H4' 5.500 3.500 7.500 3.871 3.862 3.880 . 0 0 "[ . 1]" 1
321 1 12 DC H2'' 1 12 DC H4' 5.500 3.500 7.500 3.890 3.840 3.941 . 0 0 "[ . 1]" 1
322 1 12 DC H6 1 13 DG H8 4.800 3.600 6.000 4.733 4.528 4.971 . 0 0 "[ . 1]" 1
323 1 12 DC H2' 1 13 DG H8 3.800 2.850 4.750 3.256 3.154 3.413 . 0 0 "[ . 1]" 1
324 1 12 DC H2'' 1 13 DG H8 3.000 2.250 3.750 2.244 2.231 2.249 0.019 10 0 "[ . 1]" 1
325 1 12 DC H5 1 13 DG H8 6.000 4.500 7.500 5.731 5.478 6.019 . 0 0 "[ . 1]" 1
326 1 12 DC H1' 1 13 DG H8 3.800 2.850 4.750 3.529 3.435 3.605 . 0 0 "[ . 1]" 1
327 1 12 DC H3' 1 13 DG H8 4.800 3.600 6.000 4.863 4.800 4.910 . 0 0 "[ . 1]" 1
328 1 12 DC H4' 1 13 DG H8 6.000 4.500 7.500 5.913 5.883 5.953 . 0 0 "[ . 1]" 1
329 1 13 DG H2' 1 13 DG H8 2.400 . 3.000 2.487 2.440 2.504 . 0 0 "[ . 1]" 1
330 1 13 DG H2'' 1 13 DG H8 3.000 2.250 3.750 3.800 3.796 3.806 0.056 9 0 "[ . 1]" 1
331 1 13 DG H1' 1 13 DG H8 3.800 2.850 4.750 3.914 3.913 3.916 . 0 0 "[ . 1]" 1
332 1 13 DG H1' 1 13 DG H2' 3.800 2.850 4.750 3.025 3.024 3.026 . 0 0 "[ . 1]" 1
333 1 13 DG H1' 1 13 DG H2'' 3.000 2.250 3.750 2.240 2.216 2.293 0.034 8 0 "[ . 1]" 1
334 1 13 DG H3' 1 13 DG H8 3.800 2.850 4.750 4.385 4.363 4.409 . 0 0 "[ . 1]" 1
335 1 13 DG H1' 1 13 DG H3' 3.800 2.850 4.750 3.820 3.818 3.824 . 0 0 "[ . 1]" 1
336 1 13 DG H2' 1 13 DG H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 9 0 "[ . 1]" 1
337 1 13 DG H4' 1 13 DG H8 4.800 3.600 6.000 4.900 4.876 4.918 . 0 0 "[ . 1]" 1
338 1 13 DG H1' 1 13 DG H4' 3.800 2.850 4.750 3.065 2.991 3.159 . 0 0 "[ . 1]" 1
339 1 13 DG H2' 1 13 DG H3' 3.000 2.250 3.750 2.340 2.331 2.350 . 0 0 "[ . 1]" 1
340 1 13 DG H2'' 1 13 DG H3' 3.000 2.250 3.750 2.928 2.862 2.960 . 0 0 "[ . 1]" 1
341 1 13 DG H3' 1 13 DG H4' 3.000 2.250 3.750 2.836 2.807 2.858 . 0 0 "[ . 1]" 1
342 1 13 DG H2' 1 13 DG H4' 4.650 . 7.500 3.856 3.844 3.865 . 0 0 "[ . 1]" 1
343 1 13 DG H2'' 1 13 DG H4' 4.800 3.600 6.000 3.994 3.950 4.037 . 0 0 "[ . 1]" 1
344 1 13 DG H2' 1 14 DA H8 4.650 . 7.500 3.514 3.240 3.695 . 0 0 "[ . 1]" 1
345 1 13 DG H2'' 1 14 DA H8 3.000 2.250 3.750 2.213 2.200 2.226 0.050 10 0 "[ . 1]" 1
346 1 13 DG H1' 1 14 DA H8 3.800 2.850 4.750 3.578 3.476 3.677 . 0 0 "[ . 1]" 1
347 1 13 DG H3' 1 14 DA H8 5.500 3.500 7.500 5.039 5.008 5.084 . 0 0 "[ . 1]" 1
348 1 13 DG H4' 1 14 DA H8 5.500 3.500 7.500 6.069 6.035 6.098 . 0 0 "[ . 1]" 1
349 1 14 DA H2' 1 14 DA H8 2.400 . 3.000 2.502 2.434 2.561 . 0 0 "[ . 1]" 1
350 1 14 DA H2'' 1 14 DA H8 3.200 . 4.600 3.948 3.852 4.000 . 0 0 "[ . 1]" 1
351 1 14 DA H1' 1 14 DA H8 3.800 2.850 4.750 3.917 3.915 3.918 . 0 0 "[ . 1]" 1
352 1 14 DA H1' 1 14 DA H2' 3.800 2.850 4.750 3.024 3.023 3.025 . 0 0 "[ . 1]" 1
353 1 14 DA H1' 1 14 DA H2'' 3.000 2.250 3.750 2.385 2.332 2.416 . 0 0 "[ . 1]" 1
354 1 14 DA H3' 1 14 DA H8 3.800 2.850 4.750 4.339 4.315 4.366 . 0 0 "[ . 1]" 1
355 1 14 DA H1' 1 14 DA H3' 3.800 2.850 4.750 3.832 3.827 3.837 . 0 0 "[ . 1]" 1
356 1 14 DA H2' 1 14 DA H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 6 0 "[ . 1]" 1
357 1 14 DA H1' 1 14 DA H2 4.800 3.600 6.000 4.454 4.451 4.457 . 0 0 "[ . 1]" 1
358 1 14 DA H4' 1 14 DA H8 4.800 3.600 6.000 4.912 4.892 4.931 . 0 0 "[ . 1]" 1
359 1 14 DA H1' 1 14 DA H4' 3.800 2.850 4.750 3.010 2.874 3.137 . 0 0 "[ . 1]" 1
360 1 14 DA H2' 1 14 DA H3' 3.000 2.250 3.750 2.328 2.314 2.341 . 0 0 "[ . 1]" 1
361 1 14 DA H2'' 1 14 DA H3' 3.000 2.250 3.750 2.782 2.746 2.869 . 0 0 "[ . 1]" 1
362 1 14 DA H3' 1 14 DA H4' 3.000 2.250 3.750 2.858 2.821 2.897 . 0 0 "[ . 1]" 1
363 1 14 DA H2' 1 14 DA H4' 4.800 3.600 6.000 3.871 3.860 3.878 . 0 0 "[ . 1]" 1
364 1 14 DA H2'' 1 14 DA H4' 5.500 3.500 7.500 3.915 3.844 3.980 . 0 0 "[ . 1]" 1
365 1 14 DA H8 1 15 DA H8 4.800 3.600 6.000 4.552 4.262 4.827 . 0 0 "[ . 1]" 1
366 1 14 DA H2 1 15 DA H2 4.800 3.600 6.000 4.701 4.392 4.979 . 0 0 "[ . 1]" 1
367 1 14 DA H2' 1 15 DA H8 3.800 2.850 4.750 3.225 3.000 3.468 . 0 0 "[ . 1]" 1
368 1 14 DA H2'' 1 15 DA H8 3.000 2.250 3.750 2.461 2.258 2.718 . 0 0 "[ . 1]" 1
369 1 14 DA H1' 1 15 DA H2' 4.800 3.600 6.000 5.305 5.121 5.414 . 0 0 "[ . 1]" 1
370 1 14 DA H3' 1 15 DA H8 4.800 3.600 6.000 4.973 4.787 5.142 . 0 0 "[ . 1]" 1
371 1 14 DA H1' 1 15 DA H3' 6.000 4.500 7.500 5.840 5.738 5.953 . 0 0 "[ . 1]" 1
372 1 14 DA H2 1 15 DA H1' 6.000 4.500 7.500 4.749 4.634 5.060 . 0 0 "[ . 1]" 1
373 1 14 DA H1' 1 15 DA H8 4.800 3.600 6.000 4.004 3.694 4.345 . 0 0 "[ . 1]" 1
374 1 14 DA H4' 1 15 DA H8 6.000 4.500 7.500 6.268 6.049 6.554 . 0 0 "[ . 1]" 1
375 1 14 DA H1' 1 15 DA H4' 4.800 3.600 6.000 4.928 4.855 4.991 . 0 0 "[ . 1]" 1
376 1 14 DA H2' 1 15 DA H4' 5.500 3.500 7.500 6.590 6.392 6.691 . 0 0 "[ . 1]" 1
377 1 14 DA H2'' 1 15 DA H4' 5.500 3.500 7.500 4.831 4.622 4.951 . 0 0 "[ . 1]" 1
378 1 14 DA H2 1 20 DT H1' 6.000 4.500 7.500 5.305 5.096 5.448 . 0 0 "[ . 1]" 1
379 1 14 DA H2 1 21 DC H1' 4.800 3.600 6.000 4.126 3.793 4.416 . 0 0 "[ . 1]" 1
380 1 15 DA H2' 1 15 DA H8 3.000 2.250 3.750 2.424 2.297 2.475 . 0 0 "[ . 1]" 1
381 1 15 DA H2'' 1 15 DA H8 3.000 2.250 3.750 3.722 3.620 3.783 0.033 5 0 "[ . 1]" 1
382 1 15 DA H1' 1 15 DA H2' 3.800 2.850 4.750 3.027 3.025 3.031 . 0 0 "[ . 1]" 1
383 1 15 DA H1' 1 15 DA H2'' 3.000 2.250 3.750 2.284 2.200 2.553 0.050 9 0 "[ . 1]" 1
384 1 15 DA H3' 1 15 DA H8 3.800 2.850 4.750 4.398 4.330 4.485 . 0 0 "[ . 1]" 1
385 1 15 DA H1' 1 15 DA H3' 4.800 3.600 6.000 3.793 3.768 3.815 . 0 0 "[ . 1]" 1
386 1 15 DA H1' 1 15 DA H2 4.800 3.600 6.000 4.434 4.424 4.441 . 0 0 "[ . 1]" 1
387 1 15 DA H2' 1 15 DA H2'' 2.400 . 3.000 1.793 1.791 1.794 0.009 8 0 "[ . 1]" 1
388 1 15 DA H1' 1 15 DA H8 4.800 3.600 6.000 3.920 3.911 3.925 . 0 0 "[ . 1]" 1
389 1 15 DA H4' 1 15 DA H8 4.800 3.600 6.000 5.028 4.987 5.150 . 0 0 "[ . 1]" 1
390 1 15 DA H1' 1 15 DA H4' 3.000 2.250 3.750 2.896 2.777 2.998 . 0 0 "[ . 1]" 1
391 1 15 DA H2' 1 15 DA H3' 3.000 2.250 3.750 2.333 2.319 2.348 . 0 0 "[ . 1]" 1
392 1 15 DA H2'' 1 15 DA H3' 3.000 2.250 3.750 2.904 2.569 3.000 . 0 0 "[ . 1]" 1
393 1 15 DA H3' 1 15 DA H4' 2.400 . 3.000 2.874 2.844 2.902 . 0 0 "[ . 1]" 1
394 1 15 DA H2' 1 15 DA H4' 4.800 3.600 6.000 3.855 3.837 3.870 . 0 0 "[ . 1]" 1
395 1 15 DA H2'' 1 15 DA H4' 3.800 2.850 4.750 3.916 3.777 3.994 . 0 0 "[ . 1]" 1
396 1 15 DA H2' 1 16 DG H2' 4.800 3.600 6.000 5.061 4.537 5.759 . 0 0 "[ . 1]" 1
397 1 15 DA H2'' 1 16 DG H3' 4.800 3.600 6.000 4.659 4.366 5.396 . 0 0 "[ . 1]" 1
398 1 15 DA H2' 1 16 DG H8 4.800 3.600 6.000 4.107 3.758 4.362 . 0 0 "[ . 1]" 1
399 1 15 DA H2'' 1 16 DG H8 3.800 2.850 4.750 3.681 3.105 3.939 . 0 0 "[ . 1]" 1
400 1 15 DA H3' 1 16 DG H8 4.800 3.600 6.000 4.925 4.284 5.491 . 0 0 "[ . 1]" 1
401 1 15 DA H1' 1 16 DG H3' 6.000 4.500 7.500 5.886 5.091 6.808 . 0 0 "[ . 1]" 1
402 1 15 DA H8 1 16 DG H8 4.800 3.600 6.000 5.825 5.481 6.047 0.047 5 0 "[ . 1]" 1
403 1 15 DA H1' 1 16 DG H8 4.800 3.600 6.000 5.932 5.327 6.111 0.111 3 0 "[ . 1]" 1
404 1 15 DA H2'' 1 16 DG H4' 4.800 3.600 6.000 3.752 3.584 4.094 0.016 9 0 "[ . 1]" 1
405 1 15 DA H2 1 19 DT H1' 6.000 4.500 7.500 5.277 5.038 5.787 . 0 0 "[ . 1]" 1
406 1 15 DA H2 1 20 DT H1' 5.500 3.500 7.500 5.100 4.796 5.579 . 0 0 "[ . 1]" 1
407 1 16 DG H2'' 1 16 DG H8 3.000 2.250 3.750 3.442 2.995 3.787 0.037 3 0 "[ . 1]" 1
408 1 16 DG H2' 1 16 DG H8 2.400 . 3.000 2.153 2.135 2.187 . 0 0 "[ . 1]" 1
409 1 16 DG H1' 1 16 DG H2'' 3.000 2.250 3.750 2.529 2.382 2.656 . 0 0 "[ . 1]" 1
410 1 16 DG H1' 1 16 DG H2' 3.800 2.850 4.750 3.030 3.027 3.032 . 0 0 "[ . 1]" 1
411 1 16 DG H3' 1 16 DG H8 3.800 2.850 4.750 4.416 4.279 4.509 . 0 0 "[ . 1]" 1
412 1 16 DG H1' 1 16 DG H3' 4.800 3.600 6.000 3.792 3.768 3.825 . 0 0 "[ . 1]" 1
413 1 16 DG H2' 1 16 DG H2'' 2.400 . 3.000 1.791 1.788 1.794 0.012 6 0 "[ . 1]" 1
414 1 16 DG H4' 1 16 DG H8 4.800 3.600 6.000 5.276 5.005 5.482 . 0 0 "[ . 1]" 1
415 1 16 DG H1' 1 16 DG H4' 3.800 2.850 4.750 3.106 2.934 3.316 . 0 0 "[ . 1]" 1
416 1 16 DG H1' 1 16 DG H8 3.800 2.850 4.750 3.841 3.750 3.885 . 0 0 "[ . 1]" 1
417 1 16 DG H2'' 1 16 DG H3' 3.000 2.250 3.750 2.533 2.230 2.780 0.020 5 0 "[ . 1]" 1
418 1 16 DG H2' 1 16 DG H3' 3.000 2.250 3.750 2.352 2.316 2.375 . 0 0 "[ . 1]" 1
419 1 16 DG H3' 1 16 DG H4' 2.400 . 3.000 2.812 2.753 2.873 . 0 0 "[ . 1]" 1
420 1 16 DG H2'' 1 16 DG H4' 4.800 3.600 6.000 3.916 3.754 4.060 . 0 0 "[ . 1]" 1
421 1 16 DG H2' 1 16 DG H4' 3.800 2.850 4.750 3.823 3.792 3.868 . 0 0 "[ . 1]" 1
422 1 16 DG H2'' 1 17 DC H6 4.800 3.600 6.000 3.551 3.446 3.845 0.154 3 0 "[ . 1]" 1
423 1 16 DG H2' 1 17 DC H6 4.800 3.600 6.000 5.143 4.909 5.559 . 0 0 "[ . 1]" 1
424 1 16 DG H1' 1 17 DC H2' 6.000 4.500 7.500 5.342 5.072 5.696 . 0 0 "[ . 1]" 1
425 1 16 DG H1' 1 17 DC H2'' 6.000 4.500 7.500 6.454 6.204 7.121 . 0 0 "[ . 1]" 1
426 1 16 DG H1' 1 17 DC H4' 6.000 4.500 7.500 5.464 5.199 5.973 . 0 0 "[ . 1]" 1
427 1 16 DG H2'' 1 17 DC H5 3.800 2.850 4.750 3.822 3.586 4.308 . 0 0 "[ . 1]" 1
428 1 16 DG H2' 1 17 DC H5 4.800 3.600 6.000 4.890 4.599 5.627 . 0 0 "[ . 1]" 1
429 1 16 DG H1' 1 17 DC H1' 6.000 4.500 7.500 5.303 4.937 6.022 . 0 0 "[ . 1]" 1
430 1 16 DG H1' 1 17 DC H5 3.800 2.850 4.750 3.846 3.316 4.216 . 0 0 "[ . 1]" 1
431 1 16 DG H3' 1 17 DC H6 4.800 3.600 6.000 5.603 5.435 6.056 0.056 4 0 "[ . 1]" 1
432 1 16 DG H3' 1 17 DC H5 6.000 4.500 7.500 6.291 6.090 6.973 . 0 0 "[ . 1]" 1
433 1 16 DG H2'' 1 17 DC H2' 6.000 4.500 7.500 5.415 5.062 5.587 . 0 0 "[ . 1]" 1
434 1 16 DG H4' 1 17 DC H6 6.000 4.500 7.500 5.801 5.107 6.278 . 0 0 "[ . 1]" 1
435 1 16 DG H8 1 17 DC H5 4.800 3.600 6.000 4.995 4.897 5.141 . 0 0 "[ . 1]" 1
436 1 16 DG H4' 1 17 DC H5 6.000 4.500 7.500 6.763 6.197 7.115 . 0 0 "[ . 1]" 1
437 1 16 DG H1' 1 17 DC H5' 6.000 4.500 7.500 4.466 4.364 4.680 0.136 5 0 "[ . 1]" 1
438 1 16 DG H1' 1 17 DC H5'' 6.000 4.500 7.500 5.754 5.675 5.862 . 0 0 "[ . 1]" 1
439 1 16 DG H1' 1 17 DC H6 3.000 2.250 3.750 3.494 3.067 3.775 0.025 5 0 "[ . 1]" 1
440 1 16 DG H8 1 17 DC H6 4.800 3.600 6.000 6.096 5.978 6.178 0.178 3 0 "[ . 1]" 1
441 1 16 DG H4' 1 17 DC H5' 4.800 3.600 6.000 3.900 3.515 4.348 0.085 10 0 "[ . 1]" 1
442 1 16 DG H4' 1 17 DC H5'' 4.800 3.600 6.000 5.483 5.065 5.893 . 0 0 "[ . 1]" 1
443 1 17 DC H2' 1 17 DC H6 2.400 . 3.000 2.227 2.181 2.359 . 0 0 "[ . 1]" 1
444 1 17 DC H2'' 1 17 DC H6 3.000 2.250 3.750 3.648 3.511 3.826 0.076 4 0 "[ . 1]" 1
445 1 17 DC H4' 1 17 DC H6 4.800 3.600 6.000 4.670 4.633 4.724 . 0 0 "[ . 1]" 1
446 1 17 DC H1' 1 17 DC H2' 3.800 2.850 4.750 3.025 3.018 3.027 . 0 0 "[ . 1]" 1
447 1 17 DC H1' 1 17 DC H2'' 3.000 2.250 3.750 2.333 2.217 2.571 0.033 5 0 "[ . 1]" 1
448 1 17 DC H1' 1 17 DC H4' 3.800 2.850 4.750 2.926 2.825 3.020 0.025 1 0 "[ . 1]" 1
449 1 17 DC H2' 1 17 DC H5 4.800 3.600 6.000 4.395 4.341 4.467 . 0 0 "[ . 1]" 1
450 1 17 DC H2'' 1 17 DC H5 6.000 4.500 7.500 5.506 5.343 5.817 . 0 0 "[ . 1]" 1
451 1 17 DC H3' 1 17 DC H6 4.800 3.600 6.000 4.054 3.820 4.146 . 0 0 "[ . 1]" 1
452 1 17 DC H1' 1 17 DC H3' 4.800 3.600 6.000 3.808 3.788 3.853 . 0 0 "[ . 1]" 1
453 1 17 DC H2' 1 17 DC H4' 4.800 3.600 6.000 3.861 3.853 3.889 . 0 0 "[ . 1]" 1
454 1 17 DC H2' 1 17 DC H2'' 2.400 . 3.000 1.792 1.790 1.793 0.010 4 0 "[ . 1]" 1
455 1 17 DC H3' 1 17 DC H4' 3.000 2.250 3.750 2.871 2.845 2.915 . 0 0 "[ . 1]" 1
456 1 17 DC H5' 1 17 DC H6 6.000 4.500 7.500 4.542 4.488 4.640 0.012 2 0 "[ . 1]" 1
457 1 17 DC H5'' 1 17 DC H6 6.000 4.500 7.500 4.768 4.610 5.032 . 0 0 "[ . 1]" 1
458 1 17 DC H1' 1 17 DC H5' 6.000 4.500 7.500 4.632 4.551 4.689 . 0 0 "[ . 1]" 1
459 1 17 DC H1' 1 17 DC H5'' 6.000 4.500 7.500 4.865 4.838 4.887 . 0 0 "[ . 1]" 1
460 1 17 DC H3' 1 17 DC H5' 3.200 . 4.600 3.623 3.611 3.646 . 0 0 "[ . 1]" 1
461 1 17 DC H3' 1 17 DC H5'' 3.200 . 4.600 2.401 2.336 2.541 . 0 0 "[ . 1]" 1
462 1 17 DC H5' 1 17 DC H5'' 2.400 . 3.000 1.775 1.774 1.776 0.026 5 0 "[ . 1]" 1
463 1 17 DC H4' 1 17 DC H5'' 3.000 2.250 3.750 2.548 2.484 2.582 . 0 0 "[ . 1]" 1
464 1 17 DC H4' 1 17 DC H5' 3.000 2.250 3.750 2.371 2.348 2.428 . 0 0 "[ . 1]" 1
465 1 17 DC H5 1 17 DC H6 2.400 . 3.000 2.450 2.449 2.452 . 0 0 "[ . 1]" 1
466 1 17 DC H1' 1 17 DC H6 3.800 2.850 4.750 3.737 3.730 3.740 . 0 0 "[ . 1]" 1
467 1 17 DC H2' 1 17 DC H3' 3.000 2.250 3.750 2.331 2.292 2.343 . 0 0 "[ . 1]" 1
468 1 17 DC H2'' 1 17 DC H3' 3.000 2.250 3.750 2.847 2.552 2.969 . 0 0 "[ . 1]" 1
469 1 17 DC H2'' 1 18 DA H8 5.500 3.500 7.500 5.213 4.793 6.286 . 0 0 "[ . 1]" 1
470 1 17 DC H4' 1 18 DA H8 5.500 3.500 7.500 4.064 3.463 5.078 0.037 8 0 "[ . 1]" 1
471 1 17 DC H4' 1 18 DA H2 5.500 3.500 7.500 4.488 3.724 5.371 . 0 0 "[ . 1]" 1
472 1 17 DC H1' 1 18 DA H2 5.500 3.500 7.500 6.970 5.819 7.507 0.007 4 0 "[ . 1]" 1
473 1 17 DC H4' 1 18 DA H1' 6.000 4.500 7.500 4.423 4.323 4.638 0.177 6 0 "[ . 1]" 1
474 1 17 DC H3' 1 18 DA H8 5.500 3.500 7.500 6.081 5.388 6.757 . 0 0 "[ . 1]" 1
475 1 17 DC H3' 1 18 DA H2 5.500 3.500 7.500 6.712 6.356 7.022 . 0 0 "[ . 1]" 1
476 1 17 DC H1' 1 18 DA H3' 6.000 4.500 7.500 6.220 5.725 6.751 . 0 0 "[ . 1]" 1
477 1 17 DC H1' 1 18 DA H8 5.500 3.500 7.500 3.434 3.340 3.830 0.160 5 0 "[ . 1]" 1
478 1 17 DC H5' 1 18 DA H8 5.500 3.500 7.500 6.047 5.206 7.171 . 0 0 "[ . 1]" 1
479 1 17 DC H5'' 1 18 DA H8 5.500 3.500 7.500 6.520 5.971 7.544 0.044 3 0 "[ . 1]" 1
480 1 17 DC H5' 1 18 DA H2 5.500 3.500 7.500 3.928 3.460 4.204 0.040 4 0 "[ . 1]" 1
481 1 17 DC H5'' 1 18 DA H2 5.500 3.500 7.500 4.871 4.469 5.280 . 0 0 "[ . 1]" 1
482 1 17 DC H1' 1 18 DA H5' 6.000 4.500 7.500 6.055 4.943 6.601 . 0 0 "[ . 1]" 1
483 1 17 DC H1' 1 18 DA H5'' 6.000 4.500 7.500 5.718 4.482 6.809 0.018 7 0 "[ . 1]" 1
484 1 17 DC H4' 1 18 DA Q5' 4.800 3.600 6.500 4.622 2.871 5.032 0.729 4 1 "[ +. 1]" 1
485 1 18 DA H5' 1 18 DA H5'' 2.400 . 3.000 1.775 1.774 1.776 0.026 6 0 "[ . 1]" 1
486 1 18 DA H2'' 1 18 DA H8 3.200 . 4.600 3.350 2.998 3.458 . 0 0 "[ . 1]" 1
487 1 18 DA H2' 1 18 DA H8 3.200 . 4.600 2.134 2.118 2.191 . 0 0 "[ . 1]" 1
488 1 18 DA H1' 1 18 DA H2 5.500 3.500 7.500 4.611 4.527 4.877 . 0 0 "[ . 1]" 1
489 1 18 DA H1' 1 18 DA H2'' 3.000 2.250 3.750 2.345 2.239 2.570 0.011 3 0 "[ . 1]" 1
490 1 18 DA H1' 1 18 DA H2' 3.800 2.850 4.750 3.020 3.014 3.030 . 0 0 "[ . 1]" 1
491 1 18 DA H3' 1 18 DA H8 5.500 3.500 7.500 4.276 4.157 4.546 . 0 0 "[ . 1]" 1
492 1 18 DA H1' 1 18 DA H3' 3.800 2.850 4.750 3.837 3.753 3.859 . 0 0 "[ . 1]" 1
493 1 18 DA H2' 1 18 DA H2'' 2.400 . 3.000 1.790 1.789 1.791 0.011 1 0 "[ . 1]" 1
494 1 18 DA H4' 1 18 DA H8 5.500 3.500 7.500 5.314 5.226 5.533 . 0 0 "[ . 1]" 1
495 1 18 DA H1' 1 18 DA H8 3.200 . 4.600 3.833 3.643 3.885 . 0 0 "[ . 1]" 1
496 1 18 DA H1' 1 18 DA H4' 3.000 2.250 3.750 2.908 2.792 3.182 . 0 0 "[ . 1]" 1
497 1 18 DA H5' 1 18 DA H8 5.500 3.500 7.500 5.657 5.331 6.235 . 0 0 "[ . 1]" 1
498 1 18 DA H5'' 1 18 DA H8 5.500 3.500 7.500 5.092 4.258 6.098 . 0 0 "[ . 1]" 1
499 1 18 DA H1' 1 18 DA H5' 6.000 4.500 7.500 4.722 4.552 4.881 . 0 0 "[ . 1]" 1
500 1 18 DA H1' 1 18 DA H5'' 6.000 4.500 7.500 4.740 4.520 4.906 . 0 0 "[ . 1]" 1
501 1 18 DA H2'' 1 18 DA H3' 3.000 2.250 3.750 2.835 2.470 2.966 . 0 0 "[ . 1]" 1
502 1 18 DA H2' 1 18 DA H3' 3.000 2.250 3.750 2.313 2.287 2.379 . 0 0 "[ . 1]" 1
503 1 18 DA H3' 1 18 DA H4' 2.400 . 3.000 2.892 2.775 2.930 . 0 0 "[ . 1]" 1
504 1 18 DA H3' 1 18 DA Q5' 2.400 . 3.500 2.347 2.281 2.438 . 0 0 "[ . 1]" 1
505 1 18 DA H2'' 1 18 DA H4' 5.500 3.500 7.500 3.827 3.718 3.986 . 0 0 "[ . 1]" 1
506 1 18 DA H2' 1 18 DA H4' 4.800 3.600 6.000 3.874 3.782 3.895 . 0 0 "[ . 1]" 1
507 1 18 DA H2'' 1 18 DA H5'' 4.800 3.600 6.000 4.763 4.488 4.970 . 0 0 "[ . 1]" 1
508 1 18 DA H2' 1 18 DA H5'' 4.800 3.600 6.000 3.834 3.425 4.247 0.175 6 0 "[ . 1]" 1
509 1 18 DA H2'' 1 18 DA H5' 4.800 3.600 6.000 5.248 5.075 5.414 . 0 0 "[ . 1]" 1
510 1 18 DA H2' 1 18 DA H5' 4.800 3.600 6.000 4.489 4.130 4.771 . 0 0 "[ . 1]" 1
511 1 18 DA H4' 1 18 DA H5' 2.400 . 3.000 2.413 2.350 2.471 . 0 0 "[ . 1]" 1
512 1 18 DA H4' 1 18 DA H5'' 2.400 . 3.000 2.739 2.524 3.040 0.040 10 0 "[ . 1]" 1
513 1 18 DA H2 1 19 DT H4' 5.500 3.500 7.500 5.403 4.919 7.455 . 0 0 "[ . 1]" 1
514 1 18 DA H8 1 19 DT C7 5.500 3.500 8.000 3.429 3.390 3.492 0.110 1 0 "[ . 1]" 1
515 1 18 DA H8 1 19 DT H2' 5.500 3.500 7.500 6.339 6.128 6.996 . 0 0 "[ . 1]" 1
516 1 18 DA H8 1 19 DT H2'' 5.500 3.500 7.500 7.324 6.869 7.519 0.019 4 0 "[ . 1]" 1
517 1 18 DA H2 1 19 DT H1' 5.500 3.500 7.500 3.853 3.640 5.159 . 0 0 "[ . 1]" 1
518 1 18 DA H2 1 19 DT C7 5.500 3.500 8.000 7.776 7.299 8.095 0.095 1 0 "[ . 1]" 1
519 1 18 DA H2'' 1 19 DT H6 3.000 2.250 3.750 2.482 2.286 3.065 . 0 0 "[ . 1]" 1
520 1 18 DA H2' 1 19 DT H6 4.800 3.600 6.000 3.745 3.522 4.640 0.078 6 0 "[ . 1]" 1
521 1 18 DA H1' 1 19 DT C7 4.800 3.600 6.500 5.148 4.578 5.260 . 0 0 "[ . 1]" 1
522 1 18 DA H1' 1 19 DT H2' 6.000 4.500 7.500 4.649 4.560 4.866 . 0 0 "[ . 1]" 1
523 1 18 DA H1' 1 19 DT H2'' 6.000 4.500 7.500 5.302 5.015 5.460 . 0 0 "[ . 1]" 1
524 1 18 DA H1' 1 19 DT H1' 5.500 3.500 7.500 3.730 3.280 4.018 0.220 4 0 "[ . 1]" 1
525 1 18 DA H8 1 19 DT H1' 5.500 3.500 7.500 6.136 5.589 6.528 . 0 0 "[ . 1]" 1
526 1 18 DA H3' 1 19 DT H6 5.500 3.500 7.500 5.242 5.059 5.827 . 0 0 "[ . 1]" 1
527 1 18 DA H1' 1 19 DT H3' 4.800 3.600 6.000 5.051 4.928 5.919 . 0 0 "[ . 1]" 1
528 1 18 DA H2' 1 19 DT C7 4.800 3.600 6.500 3.838 3.588 4.552 0.012 6 0 "[ . 1]" 1
529 1 18 DA H2'' 1 19 DT C7 4.800 3.600 6.500 3.714 3.551 4.132 0.049 4 0 "[ . 1]" 1
530 1 18 DA H3' 1 19 DT C7 4.800 3.600 6.500 5.822 5.556 6.575 0.075 1 0 "[ . 1]" 1
531 1 18 DA H8 1 19 DT H4' 5.500 3.500 7.500 7.095 6.451 7.692 0.192 4 0 "[ . 1]" 1
532 1 18 DA H4' 1 19 DT H6 4.800 3.600 6.000 5.931 5.824 6.017 0.017 9 0 "[ . 1]" 1
533 1 18 DA H1' 1 19 DT H4' 3.800 2.850 4.750 3.524 2.993 4.309 . 0 0 "[ . 1]" 1
534 1 18 DA H1' 1 19 DT H6 4.800 3.600 6.000 3.537 3.332 3.603 0.268 1 0 "[ . 1]" 1
535 1 18 DA H5' 1 19 DT H6 6.000 4.500 7.500 7.530 7.370 7.742 0.242 1 0 "[ . 1]" 1
536 1 18 DA H5'' 1 19 DT H6 6.000 4.500 7.500 7.125 6.768 7.640 0.140 1 0 "[ . 1]" 1
537 1 18 DA H8 1 19 DT H6 5.500 3.500 7.500 4.241 3.871 4.676 . 0 0 "[ . 1]" 1
538 1 18 DA H8 1 19 DT Q5' 5.500 3.500 8.000 6.049 5.352 6.950 . 0 0 "[ . 1]" 1
539 1 18 DA H1' 1 19 DT Q5' 4.800 3.600 6.500 3.048 2.754 4.770 0.846 9 8 "[ ** **-*+*]" 1
540 1 18 DA H1' 1 20 DT C7 6.000 4.500 8.000 7.137 6.710 7.370 . 0 0 "[ . 1]" 1
541 1 18 DA H2 1 20 DT H4' 5.500 3.500 7.500 5.967 5.089 6.714 . 0 0 "[ . 1]" 1
542 1 19 DT C7 1 19 DT H6 2.400 . 3.500 2.658 2.653 2.662 . 0 0 "[ . 1]" 1
543 1 19 DT H2' 1 19 DT H6 2.400 . 3.000 2.258 2.177 2.571 . 0 0 "[ . 1]" 1
544 1 19 DT H2'' 1 19 DT H6 3.000 2.250 3.750 3.720 3.637 3.856 0.106 1 0 "[ . 1]" 1
545 1 19 DT C7 1 19 DT H1' 6.000 4.500 8.000 5.830 5.816 5.834 . 0 0 "[ . 1]" 1
546 1 19 DT H1' 1 19 DT H2' 3.800 2.850 4.750 3.017 3.013 3.027 . 0 0 "[ . 1]" 1
547 1 19 DT H1' 1 19 DT H2'' 3.000 2.250 3.750 2.307 2.200 2.365 0.050 4 0 "[ . 1]" 1
548 1 19 DT H3' 1 19 DT H6 3.800 2.850 4.750 3.902 3.776 4.246 . 0 0 "[ . 1]" 1
549 1 19 DT H1' 1 19 DT H3' 5.500 3.500 7.500 3.859 3.789 3.878 . 0 0 "[ . 1]" 1
550 1 19 DT C7 1 19 DT H2'' 6.000 4.500 8.000 5.884 5.796 5.941 . 0 0 "[ . 1]" 1
551 1 19 DT H2' 1 19 DT H2'' 2.400 . 3.000 1.791 1.790 1.792 0.010 2 0 "[ . 1]" 1
552 1 19 DT C7 1 19 DT H2' 4.800 3.600 6.500 4.587 4.528 4.825 . 0 0 "[ . 1]" 1
553 1 19 DT H4' 1 19 DT H6 4.800 3.600 6.000 4.581 4.179 4.650 . 0 0 "[ . 1]" 1
554 1 19 DT H1' 1 19 DT H6 3.800 2.850 4.750 3.728 3.712 3.734 . 0 0 "[ . 1]" 1
555 1 19 DT H1' 1 19 DT H4' 3.800 2.850 4.750 2.988 2.886 3.458 . 0 0 "[ . 1]" 1
556 1 19 DT C7 1 19 DT H4' 6.000 4.500 8.000 7.135 6.770 7.198 . 0 0 "[ . 1]" 1
557 1 19 DT H2' 1 19 DT H3' 3.000 2.250 3.750 2.315 2.299 2.364 . 0 0 "[ . 1]" 1
558 1 19 DT H2'' 1 19 DT H3' 3.000 2.250 3.750 2.871 2.818 2.989 . 0 0 "[ . 1]" 1
559 1 19 DT H3' 1 19 DT H4' 3.200 . 4.600 2.878 2.731 2.914 . 0 0 "[ . 1]" 1
560 1 19 DT Q5' 1 19 DT H6 3.800 2.850 5.250 3.832 2.178 4.169 0.672 1 1 "[+ . 1]" 1
561 1 19 DT H2' 1 19 DT H4' 4.800 3.600 6.000 3.885 3.819 3.905 . 0 0 "[ . 1]" 1
562 1 19 DT H2'' 1 19 DT H4' 5.500 3.500 7.500 3.862 3.773 4.133 . 0 0 "[ . 1]" 1
563 1 19 DT C7 1 20 DT H6 4.800 3.600 6.500 6.435 6.302 6.516 0.016 1 0 "[ . 1]" 1
564 1 19 DT H2' 1 20 DT H6 3.800 2.850 4.750 3.571 3.284 3.735 . 0 0 "[ . 1]" 1
565 1 19 DT H2'' 1 20 DT H6 3.200 . 4.600 2.428 2.196 2.541 . 0 0 "[ . 1]" 1
566 1 19 DT H6 1 20 DT C7 3.000 2.250 4.250 4.177 4.006 4.311 0.061 8 0 "[ . 1]" 1
567 1 19 DT H1' 1 20 DT C7 3.800 2.850 5.250 5.025 4.872 5.259 0.009 4 0 "[ . 1]" 1
568 1 19 DT H1' 1 20 DT H1' 6.000 4.500 7.500 5.528 5.345 5.855 . 0 0 "[ . 1]" 1
569 1 19 DT H3' 1 20 DT H6 4.800 3.600 6.000 5.118 4.780 5.260 . 0 0 "[ . 1]" 1
570 1 19 DT H1' 1 20 DT H3' 6.000 4.500 7.500 5.801 5.615 5.973 . 0 0 "[ . 1]" 1
571 1 19 DT H2'' 1 20 DT C7 3.000 2.250 4.250 3.762 3.637 3.917 . 0 0 "[ . 1]" 1
572 1 19 DT H2' 1 20 DT C7 3.000 2.250 4.250 3.603 3.338 3.739 . 0 0 "[ . 1]" 1
573 1 19 DT C7 1 20 DT C7 3.000 2.250 4.750 4.521 4.270 4.726 . 0 0 "[ . 1]" 1
574 1 19 DT H1' 1 20 DT H6 3.800 2.850 4.750 3.922 3.819 4.152 . 0 0 "[ . 1]" 1
575 1 19 DT H4' 1 20 DT H6 6.000 4.500 7.500 6.186 6.098 6.327 . 0 0 "[ . 1]" 1
576 1 19 DT H1' 1 20 DT H4' 6.000 4.500 7.500 4.826 4.612 5.045 . 0 0 "[ . 1]" 1
577 1 19 DT H4' 1 20 DT C7 6.000 4.500 8.000 7.177 7.086 7.321 . 0 0 "[ . 1]" 1
578 1 19 DT H2' 1 20 DT H4' 6.000 4.500 7.500 6.649 6.585 6.739 . 0 0 "[ . 1]" 1
579 1 20 DT C7 1 20 DT H6 2.400 . 3.500 2.656 2.654 2.658 . 0 0 "[ . 1]" 1
580 1 20 DT H2' 1 20 DT H6 2.400 . 3.000 2.213 2.191 2.260 . 0 0 "[ . 1]" 1
581 1 20 DT H2'' 1 20 DT H6 3.200 . 4.600 3.680 3.634 3.729 . 0 0 "[ . 1]" 1
582 1 20 DT C7 1 20 DT H1' 6.000 4.500 8.000 5.828 5.827 5.830 . 0 0 "[ . 1]" 1
583 1 20 DT H1' 1 20 DT H2' 3.800 2.850 4.750 3.025 3.024 3.026 . 0 0 "[ . 1]" 1
584 1 20 DT H1' 1 20 DT H2'' 3.000 2.250 3.750 2.356 2.302 2.384 . 0 0 "[ . 1]" 1
585 1 20 DT H3' 1 20 DT H6 3.800 2.850 4.750 3.981 3.963 4.001 . 0 0 "[ . 1]" 1
586 1 20 DT H1' 1 20 DT H3' 3.800 2.850 4.750 3.825 3.814 3.830 . 0 0 "[ . 1]" 1
587 1 20 DT H2' 1 20 DT H2'' 2.400 . 3.000 1.792 1.792 1.793 0.008 6 0 "[ . 1]" 1
588 1 20 DT C7 1 20 DT H2'' 4.800 3.600 6.500 5.848 5.793 5.897 . 0 0 "[ . 1]" 1
589 1 20 DT C7 1 20 DT H2' 4.800 3.600 6.500 4.582 4.568 4.615 . 0 0 "[ . 1]" 1
590 1 20 DT C7 1 20 DT H3' 4.800 3.600 6.500 6.569 6.553 6.589 0.089 9 0 "[ . 1]" 1
591 1 20 DT H4' 1 20 DT H6 4.800 3.600 6.000 4.633 4.608 4.656 . 0 0 "[ . 1]" 1
592 1 20 DT H1' 1 20 DT H6 3.800 2.850 4.750 3.729 3.728 3.731 . 0 0 "[ . 1]" 1
593 1 20 DT H1' 1 20 DT H4' 3.000 2.250 3.750 2.936 2.879 2.968 . 0 0 "[ . 1]" 1
594 1 20 DT C7 1 20 DT H4' 6.000 4.500 8.000 7.173 7.152 7.193 . 0 0 "[ . 1]" 1
595 1 20 DT H2' 1 20 DT H3' 3.000 2.250 3.750 2.320 2.316 2.324 . 0 0 "[ . 1]" 1
596 1 20 DT H2'' 1 20 DT H3' 3.000 2.250 3.750 2.830 2.796 2.887 . 0 0 "[ . 1]" 1
597 1 20 DT H3' 1 20 DT H4' 2.400 . 3.000 2.877 2.869 2.892 . 0 0 "[ . 1]" 1
598 1 20 DT H2' 1 20 DT H4' 4.800 3.600 6.000 3.871 3.866 3.875 . 0 0 "[ . 1]" 1
599 1 20 DT H2'' 1 20 DT H4' 5.500 3.500 7.500 3.892 3.856 3.908 . 0 0 "[ . 1]" 1
600 1 20 DT H6 1 21 DC H6 4.800 3.600 6.000 4.908 4.784 5.016 . 0 0 "[ . 1]" 1
601 1 20 DT C7 1 21 DC H6 6.000 4.500 8.000 6.197 6.059 6.332 . 0 0 "[ . 1]" 1
602 1 20 DT H2' 1 21 DC H6 4.800 3.600 6.000 3.543 3.510 3.564 0.090 9 0 "[ . 1]" 1
603 1 20 DT H2'' 1 21 DC H6 3.000 2.250 3.750 2.397 2.321 2.462 . 0 0 "[ . 1]" 1
604 1 20 DT H1' 1 21 DC H2' 4.800 3.600 6.000 5.316 5.153 5.444 . 0 0 "[ . 1]" 1
605 1 20 DT C7 1 21 DC H5 4.800 3.600 6.500 4.445 4.133 4.650 . 0 0 "[ . 1]" 1
606 1 20 DT H2'' 1 21 DC H5 3.800 2.850 4.750 3.732 3.593 3.848 . 0 0 "[ . 1]" 1
607 1 20 DT H1' 1 21 DC H5 4.800 3.600 6.000 5.005 4.700 5.157 . 0 0 "[ . 1]" 1
608 1 20 DT H3' 1 21 DC H6 4.800 3.600 6.000 5.093 5.053 5.140 . 0 0 "[ . 1]" 1
609 1 20 DT H3' 1 21 DC H5 4.800 3.600 6.000 5.847 5.752 5.952 . 0 0 "[ . 1]" 1
610 1 20 DT H1' 1 21 DC H6 4.800 3.600 6.000 3.898 3.704 4.010 . 0 0 "[ . 1]" 1
611 1 20 DT H4' 1 21 DC H6 6.000 4.500 7.500 6.181 6.057 6.261 . 0 0 "[ . 1]" 1
612 1 20 DT H6 1 21 DC H5 3.800 2.850 4.750 4.123 3.839 4.291 . 0 0 "[ . 1]" 1
613 1 20 DT H2'' 1 21 DC H4' 5.500 3.500 7.500 4.843 4.727 5.020 . 0 0 "[ . 1]" 1
614 1 21 DC H2' 1 21 DC H6 2.400 . 3.000 2.211 2.195 2.235 . 0 0 "[ . 1]" 1
615 1 21 DC H2'' 1 21 DC H6 3.000 2.250 3.750 3.749 3.698 3.769 0.019 10 0 "[ . 1]" 1
616 1 21 DC H1' 1 21 DC H2' 3.800 2.850 4.750 3.023 3.021 3.024 . 0 0 "[ . 1]" 1
617 1 21 DC H1' 1 21 DC H2'' 3.000 2.250 3.750 2.442 2.408 2.484 . 0 0 "[ . 1]" 1
618 1 21 DC H3' 1 21 DC H6 3.800 2.850 4.750 3.941 3.887 3.995 . 0 0 "[ . 1]" 1
619 1 21 DC H1' 1 21 DC H3' 3.800 2.850 4.750 3.839 3.825 3.847 . 0 0 "[ . 1]" 1
620 1 21 DC H2' 1 21 DC H2'' 2.400 . 3.000 1.792 1.791 1.792 0.009 9 0 "[ . 1]" 1
621 1 21 DC H1' 1 21 DC H6 4.650 . 7.500 3.729 3.727 3.730 . 0 0 "[ . 1]" 1
622 1 21 DC H5 1 21 DC H6 2.400 . 3.000 2.451 2.450 2.452 . 0 0 "[ . 1]" 1
623 1 21 DC H4' 1 21 DC H6 4.800 3.600 6.000 4.629 4.617 4.640 . 0 0 "[ . 1]" 1
624 1 21 DC H1' 1 21 DC H4' 3.000 2.250 3.750 2.940 2.883 2.998 . 0 0 "[ . 1]" 1
625 1 21 DC H2' 1 21 DC H3' 3.000 2.250 3.750 2.318 2.309 2.327 . 0 0 "[ . 1]" 1
626 1 21 DC H2'' 1 21 DC H3' 3.000 2.250 3.750 2.723 2.649 2.780 . 0 0 "[ . 1]" 1
627 1 21 DC H3' 1 21 DC H4' 2.400 . 3.000 2.882 2.860 2.902 . 0 0 "[ . 1]" 1
628 1 21 DC H2' 1 21 DC H4' 3.800 2.850 4.750 3.879 3.868 3.886 . 0 0 "[ . 1]" 1
629 1 21 DC H2'' 1 21 DC H4' 5.500 3.500 7.500 3.838 3.799 3.891 . 0 0 "[ . 1]" 1
630 1 21 DC H6 1 22 DG H8 4.800 3.600 6.000 4.609 4.196 4.934 . 0 0 "[ . 1]" 1
631 1 21 DC H2' 1 22 DG H8 3.800 2.850 4.750 3.200 2.996 3.419 . 0 0 "[ . 1]" 1
632 1 21 DC H2'' 1 22 DG H8 3.000 2.250 3.750 2.240 2.219 2.250 0.031 9 0 "[ . 1]" 1
633 1 21 DC H1' 1 22 DG H8 3.800 2.850 4.750 3.717 3.543 3.854 . 0 0 "[ . 1]" 1
634 1 21 DC H3' 1 22 DG H8 4.800 3.600 6.000 4.813 4.744 4.880 . 0 0 "[ . 1]" 1
635 1 21 DC H4' 1 22 DG H8 4.800 3.600 6.000 5.935 5.884 5.969 . 0 0 "[ . 1]" 1
636 1 22 DG H2' 1 22 DG H8 2.400 . 3.000 2.336 2.279 2.397 . 0 0 "[ . 1]" 1
637 1 22 DG H2'' 1 22 DG H8 3.000 2.250 3.750 3.868 3.853 3.897 0.147 7 0 "[ . 1]" 1
638 1 22 DG H1' 1 22 DG H8 3.800 2.850 4.750 3.906 3.902 3.910 . 0 0 "[ . 1]" 1
639 1 22 DG H1' 1 22 DG H2' 3.800 2.850 4.750 3.029 3.027 3.032 . 0 0 "[ . 1]" 1
640 1 22 DG H1' 1 22 DG H2'' 3.000 2.250 3.750 2.551 2.462 2.640 . 0 0 "[ . 1]" 1
641 1 22 DG H3' 1 22 DG H8 3.800 2.850 4.750 4.393 4.356 4.441 . 0 0 "[ . 1]" 1
642 1 22 DG H1' 1 22 DG H3' 3.800 2.850 4.750 3.796 3.774 3.814 . 0 0 "[ . 1]" 1
643 1 22 DG H2' 1 22 DG H2'' 2.400 . 3.000 1.790 1.789 1.792 0.011 7 0 "[ . 1]" 1
644 1 22 DG H4' 1 22 DG H8 4.800 3.600 6.000 4.970 4.914 5.053 . 0 0 "[ . 1]" 1
645 1 22 DG H1' 1 22 DG H4' 3.800 2.850 4.750 3.116 3.043 3.198 . 0 0 "[ . 1]" 1
646 1 22 DG H2' 1 22 DG H3' 2.400 . 3.000 2.351 2.342 2.360 . 0 0 "[ . 1]" 1
647 1 22 DG H2'' 1 22 DG H3' 3.000 2.250 3.750 2.500 2.312 2.649 . 0 0 "[ . 1]" 1
648 1 22 DG H3' 1 22 DG H4' 3.000 2.250 3.750 2.811 2.788 2.834 . 0 0 "[ . 1]" 1
649 1 22 DG H2' 1 22 DG H4' 5.500 3.500 7.500 3.828 3.815 3.840 . 0 0 "[ . 1]" 1
650 1 22 DG H2'' 1 22 DG H4' 5.500 3.500 7.500 3.917 3.815 3.996 . 0 0 "[ . 1]" 1
651 1 22 DG H8 1 23 DC H6 4.800 3.600 6.000 5.341 5.085 5.548 . 0 0 "[ . 1]" 1
652 1 22 DG H2' 1 23 DC H6 4.800 3.600 6.000 4.089 3.880 4.193 . 0 0 "[ . 1]" 1
653 1 22 DG H2'' 1 23 DC H6 3.800 2.850 4.750 2.797 2.740 2.872 0.110 5 0 "[ . 1]" 1
654 1 22 DG H8 1 23 DC H5 3.800 2.850 4.750 4.457 4.179 4.767 0.017 5 0 "[ . 1]" 1
655 1 22 DG H1' 1 23 DC H2' 4.800 3.600 6.000 5.249 5.104 5.345 . 0 0 "[ . 1]" 1
656 1 22 DG H2' 1 23 DC H5 4.800 3.600 6.000 4.112 4.044 4.211 . 0 0 "[ . 1]" 1
657 1 22 DG H2'' 1 23 DC H5 4.800 3.600 6.000 3.823 3.667 4.022 . 0 0 "[ . 1]" 1
658 1 22 DG H1' 1 23 DC H5 4.800 3.600 6.000 4.797 4.581 5.004 . 0 0 "[ . 1]" 1
659 1 22 DG H3' 1 23 DC H6 4.800 3.600 6.000 5.271 5.172 5.343 . 0 0 "[ . 1]" 1
660 1 22 DG H3' 1 23 DC H5 4.800 3.600 6.000 6.062 6.028 6.112 0.112 3 0 "[ . 1]" 1
661 1 22 DG H1' 1 23 DC H3' 6.000 4.500 7.500 5.756 5.491 6.117 . 0 0 "[ . 1]" 1
662 1 22 DG H2'' 1 23 DC H2' 6.000 4.500 7.500 4.421 4.307 4.477 0.193 9 0 "[ . 1]" 1
663 1 22 DG H4' 1 23 DC H6 6.000 4.500 7.500 6.277 6.147 6.386 . 0 0 "[ . 1]" 1
664 1 22 DG H1' 1 23 DC H6 4.800 3.600 6.000 3.740 3.674 3.837 . 0 0 "[ . 1]" 1
665 1 23 DC H2' 1 23 DC H6 3.000 2.250 3.750 2.236 2.213 2.288 0.037 9 0 "[ . 1]" 1
666 1 23 DC H2'' 1 23 DC H6 3.800 2.850 4.750 3.657 3.533 3.891 . 0 0 "[ . 1]" 1
667 1 23 DC H1' 1 23 DC H2' 3.800 2.850 4.750 3.027 3.022 3.032 . 0 0 "[ . 1]" 1
668 1 23 DC H1' 1 23 DC H2'' 3.000 2.250 3.750 2.339 2.198 2.570 0.052 6 0 "[ . 1]" 1
669 1 23 DC H2' 1 23 DC H5 4.800 3.600 6.000 4.379 4.359 4.405 . 0 0 "[ . 1]" 1
670 1 23 DC H2'' 1 23 DC H5 4.800 3.600 6.000 5.494 5.327 5.832 . 0 0 "[ . 1]" 1
671 1 23 DC H1' 1 23 DC H5 6.000 4.500 7.500 5.438 5.434 5.441 . 0 0 "[ . 1]" 1
672 1 23 DC H3' 1 23 DC H6 5.500 3.500 7.500 4.054 3.901 4.196 . 0 0 "[ . 1]" 1
673 1 23 DC H1' 1 23 DC H3' 4.800 3.600 6.000 3.807 3.755 3.839 . 0 0 "[ . 1]" 1
674 1 23 DC H3' 1 23 DC H5 6.000 4.500 7.500 6.454 6.300 6.583 . 0 0 "[ . 1]" 1
675 1 23 DC H2' 1 23 DC H2'' 2.400 . 3.000 1.790 1.786 1.792 0.014 9 0 "[ . 1]" 1
676 1 23 DC H4' 1 23 DC H6 4.800 3.600 6.000 4.636 4.611 4.690 . 0 0 "[ . 1]" 1
677 1 23 DC H1' 1 23 DC H4' 3.000 2.250 3.750 2.949 2.811 3.001 . 0 0 "[ . 1]" 1
678 1 23 DC H5 1 23 DC H6 2.400 . 3.000 2.450 2.449 2.451 . 0 0 "[ . 1]" 1
679 1 23 DC H1' 1 23 DC H6 4.800 3.600 6.000 3.732 3.726 3.739 . 0 0 "[ . 1]" 1
680 1 23 DC H2' 1 23 DC H3' 3.000 2.250 3.750 2.331 2.301 2.351 . 0 0 "[ . 1]" 1
681 1 23 DC H2'' 1 23 DC H3' 3.000 2.250 3.750 2.837 2.556 2.994 . 0 0 "[ . 1]" 1
682 1 23 DC H3' 1 23 DC H4' 3.000 2.250 3.750 2.865 2.842 2.920 . 0 0 "[ . 1]" 1
683 1 23 DC H2' 1 23 DC H4' 4.800 3.600 6.000 3.857 3.822 3.881 . 0 0 "[ . 1]" 1
684 1 23 DC H2'' 1 23 DC H4' 5.500 3.500 7.500 3.918 3.672 3.978 . 0 0 "[ . 1]" 1
685 1 23 DC H6 1 24 DG H8 6.000 4.500 7.500 7.269 6.619 7.572 0.072 7 0 "[ . 1]" 1
686 1 23 DC H2' 1 24 DG H8 6.000 4.500 7.500 5.207 4.721 5.417 . 0 0 "[ . 1]" 1
687 1 23 DC H2'' 1 24 DG H8 4.800 3.600 6.000 4.393 4.135 5.142 . 0 0 "[ . 1]" 1
688 1 23 DC H4' 1 24 DG H8 6.000 4.500 7.500 7.348 6.486 7.556 0.056 9 0 "[ . 1]" 1
689 1 23 DC H1' 1 24 DG H4' 5.500 3.500 7.500 3.447 3.314 3.543 0.186 7 0 "[ . 1]" 1
690 1 23 DC H2' 1 24 DG H4' 4.800 3.600 6.000 4.311 4.120 4.505 . 0 0 "[ . 1]" 1
691 1 23 DC H2'' 1 24 DG H4' 3.800 2.850 4.750 2.772 2.738 2.842 0.112 9 0 "[ . 1]" 1
692 1 23 DC H5 1 25 DG H4' 4.800 3.600 6.000 5.707 4.902 6.079 0.079 3 0 "[ . 1]" 1
693 1 23 DC H5 1 25 DG H5'' 6.000 4.500 7.500 7.040 6.099 7.475 . 0 0 "[ . 1]" 1
694 1 23 DC H5 1 25 DG H5' 6.000 4.500 7.500 5.865 4.985 6.451 . 0 0 "[ . 1]" 1
695 1 24 DG H2'' 1 24 DG H8 3.200 . 4.600 3.948 3.792 4.224 . 0 0 "[ . 1]" 1
696 1 24 DG H2' 1 24 DG H8 3.200 . 4.600 2.667 2.419 3.090 . 0 0 "[ . 1]" 1
697 1 24 DG H1' 1 24 DG H2'' 3.000 2.250 3.750 2.230 2.196 2.275 0.054 6 0 "[ . 1]" 1
698 1 24 DG H1' 1 24 DG H2' 3.800 2.850 4.750 3.024 3.016 3.028 . 0 0 "[ . 1]" 1
699 1 24 DG H1' 1 24 DG H8 3.800 2.850 4.750 3.906 3.853 3.916 . 0 0 "[ . 1]" 1
700 1 24 DG H3' 1 24 DG H8 3.200 . 4.600 4.468 4.326 4.623 0.023 7 0 "[ . 1]" 1
701 1 24 DG H1' 1 24 DG H3' 3.800 2.850 4.750 3.824 3.809 3.875 . 0 0 "[ . 1]" 1
702 1 24 DG H4' 1 24 DG H8 4.800 3.600 6.000 4.802 4.657 4.860 . 0 0 "[ . 1]" 1
703 1 24 DG H1' 1 24 DG H4' 3.200 . 4.600 3.082 2.842 3.501 . 0 0 "[ . 1]" 1
704 1 24 DG H2'' 1 24 DG H3' 3.000 2.250 3.750 2.936 2.876 3.001 . 0 0 "[ . 1]" 1
705 1 24 DG H2' 1 24 DG H3' 3.000 2.250 3.750 2.345 2.321 2.374 . 0 0 "[ . 1]" 1
706 1 24 DG H3' 1 24 DG H4' 2.400 . 3.000 2.827 2.715 2.892 . 0 0 "[ . 1]" 1
707 1 24 DG H2'' 1 24 DG H4' 3.800 2.850 4.750 3.993 3.857 4.159 . 0 0 "[ . 1]" 1
708 1 24 DG H2' 1 24 DG H4' 5.500 3.500 7.500 3.848 3.801 3.877 . 0 0 "[ . 1]" 1
709 1 24 DG H2'' 1 25 DG H8 3.800 2.850 4.750 2.789 2.745 2.819 0.105 6 0 "[ . 1]" 1
710 1 24 DG H2' 1 25 DG H8 4.650 . 7.500 4.450 4.236 4.549 . 0 0 "[ . 1]" 1
711 1 24 DG H1' 1 25 DG H8 4.800 3.600 6.000 4.087 3.598 4.374 0.002 6 0 "[ . 1]" 1
712 1 24 DG H3' 1 25 DG H8 5.500 3.500 7.500 4.979 4.673 5.234 . 0 0 "[ . 1]" 1
713 1 24 DG H1' 1 25 DG H4' 6.000 4.500 7.500 4.643 4.457 5.001 0.043 8 0 "[ . 1]" 1
714 1 24 DG H1' 1 25 DG Q5' 4.800 3.600 6.500 2.749 2.710 2.833 0.890 7 10 [**-***+***] 1
715 1 24 DG H8 1 25 DG H8 5.500 3.500 7.500 6.600 6.352 6.949 . 0 0 "[ . 1]" 1
716 1 25 DG H2' 1 25 DG H8 2.400 . 3.000 2.266 2.202 2.331 . 0 0 "[ . 1]" 1
717 1 25 DG H2'' 1 25 DG H8 3.000 2.250 3.750 3.790 3.761 3.820 0.070 7 0 "[ . 1]" 1
718 1 25 DG H1' 1 25 DG H8 3.800 2.850 4.750 3.897 3.887 3.903 . 0 0 "[ . 1]" 1
719 1 25 DG H1' 1 25 DG H2' 3.800 2.850 4.750 3.004 2.990 3.014 . 0 0 "[ . 1]" 1
720 1 25 DG H1' 1 25 DG H2'' 3.000 2.250 3.750 2.331 2.272 2.407 . 0 0 "[ . 1]" 1
721 1 25 DG H3' 1 25 DG H8 3.800 2.850 4.750 4.138 3.992 4.242 . 0 0 "[ . 1]" 1
722 1 25 DG H1' 1 25 DG H3' 3.800 2.850 4.750 3.913 3.878 3.959 . 0 0 "[ . 1]" 1
723 1 25 DG H2' 1 25 DG H2'' 2.400 . 3.000 1.791 1.789 1.792 0.011 7 0 "[ . 1]" 1
724 1 25 DG H4' 1 25 DG H8 5.500 3.500 7.500 4.713 4.616 4.797 . 0 0 "[ . 1]" 1
725 1 25 DG H1' 1 25 DG H4' 3.000 2.250 3.750 3.505 3.388 3.622 . 0 0 "[ . 1]" 1
726 1 25 DG H5'' 1 25 DG H8 3.800 2.850 4.750 4.116 3.804 4.381 . 0 0 "[ . 1]" 1
727 1 25 DG H5' 1 25 DG H8 3.800 2.850 4.750 3.904 3.646 4.104 . 0 0 "[ . 1]" 1
728 1 25 DG H1' 1 25 DG H5'' 6.000 4.500 7.500 5.004 4.986 5.024 . 0 0 "[ . 1]" 1
729 1 25 DG H1' 1 25 DG H5' 6.000 4.500 7.500 4.750 4.727 4.771 . 0 0 "[ . 1]" 1
730 1 25 DG H2' 1 25 DG H3' 2.400 . 3.000 2.351 2.344 2.357 . 0 0 "[ . 1]" 1
731 1 25 DG H2'' 1 25 DG H3' 3.000 2.250 3.750 2.760 2.658 2.814 . 0 0 "[ . 1]" 1
732 1 25 DG H3' 1 25 DG H4' 2.400 . 3.000 2.733 2.709 2.759 . 0 0 "[ . 1]" 1
733 1 25 DG H2' 1 25 DG H4' 5.500 3.500 7.500 3.845 3.835 3.856 . 0 0 "[ . 1]" 1
734 1 25 DG H2'' 1 25 DG H4' 5.500 3.500 7.500 4.084 4.050 4.120 . 0 0 "[ . 1]" 1
735 1 25 DG H4' 1 25 DG H5'' 2.400 . 3.000 2.519 2.494 2.538 . 0 0 "[ . 1]" 1
736 1 25 DG H4' 1 25 DG H5' 2.400 . 3.000 2.402 2.384 2.422 . 0 0 "[ . 1]" 1
737 1 25 DG H2' 1 26 DG H8 4.650 . 7.500 3.459 3.224 3.548 . 0 0 "[ . 1]" 1
738 1 25 DG H2'' 1 26 DG H8 2.400 . 3.000 2.198 2.196 2.201 . 0 0 "[ . 1]" 1
739 1 25 DG H1' 1 26 DG H8 3.000 2.250 3.750 2.928 2.668 3.061 . 0 0 "[ . 1]" 1
740 1 25 DG H3' 1 26 DG H8 5.500 3.500 7.500 4.951 4.816 5.013 . 0 0 "[ . 1]" 1
741 1 25 DG H4' 1 26 DG H8 4.800 3.600 6.000 5.920 5.828 6.010 0.010 5 0 "[ . 1]" 1
742 1 25 DG H1' 1 26 DG H4' 4.800 3.600 6.000 4.608 4.417 4.853 . 0 0 "[ . 1]" 1
743 1 25 DG H2'' 1 26 DG H4' 6.000 4.500 7.500 5.364 5.177 5.503 . 0 0 "[ . 1]" 1
744 1 25 DG H8 1 26 DG H8 3.800 2.850 4.750 4.743 4.600 4.807 0.057 4 0 "[ . 1]" 1
745 1 26 DG H2' 1 26 DG H8 4.650 . 7.500 2.623 2.520 2.757 . 0 0 "[ . 1]" 1
746 1 26 DG H2'' 1 26 DG H8 3.200 . 4.600 4.072 3.972 4.137 . 0 0 "[ . 1]" 1
747 1 26 DG H1' 1 26 DG H2' 3.800 2.850 4.750 3.022 3.019 3.024 . 0 0 "[ . 1]" 1
748 1 26 DG H1' 1 26 DG H2'' 3.000 2.250 3.750 2.391 2.313 2.455 . 0 0 "[ . 1]" 1
749 1 26 DG H3' 1 26 DG H8 5.500 3.500 7.500 4.355 4.315 4.392 . 0 0 "[ . 1]" 1
750 1 26 DG H1' 1 26 DG H8 3.200 . 4.600 3.911 3.903 3.916 . 0 0 "[ . 1]" 1
751 1 26 DG H1' 1 26 DG H3' 3.800 2.850 4.750 3.845 3.830 3.857 . 0 0 "[ . 1]" 1
752 1 26 DG H2' 1 26 DG H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 9 0 "[ . 1]" 1
753 1 26 DG H4' 1 26 DG H8 4.800 3.600 6.000 4.839 4.803 4.887 . 0 0 "[ . 1]" 1
754 1 26 DG H1' 1 26 DG H4' 3.000 2.250 3.750 3.028 2.951 3.080 . 0 0 "[ . 1]" 1
755 1 26 DG H2' 1 26 DG H3' 3.000 2.250 3.750 2.324 2.312 2.336 . 0 0 "[ . 1]" 1
756 1 26 DG H2'' 1 26 DG H3' 3.000 2.250 3.750 2.770 2.683 2.875 . 0 0 "[ . 1]" 1
757 1 26 DG H3' 1 26 DG H4' 3.000 2.250 3.750 2.859 2.836 2.886 . 0 0 "[ . 1]" 1
758 1 26 DG H2' 1 26 DG H4' 4.800 3.600 6.000 3.878 3.863 3.891 . 0 0 "[ . 1]" 1
759 1 26 DG H2'' 1 26 DG H4' 4.800 3.600 6.000 3.902 3.859 3.957 . 0 0 "[ . 1]" 1
760 1 26 DG H2' 1 27 DG H8 4.650 . 7.500 3.332 3.204 3.502 . 0 0 "[ . 1]" 1
761 1 26 DG H2'' 1 27 DG H8 2.400 . 3.000 2.259 2.201 2.428 . 0 0 "[ . 1]" 1
762 1 26 DG H2'' 1 27 DG H1' 6.000 4.500 7.500 5.338 5.049 5.553 . 0 0 "[ . 1]" 1
763 1 26 DG H1' 1 27 DG H1' 6.000 4.500 7.500 5.272 5.067 5.501 . 0 0 "[ . 1]" 1
764 1 26 DG H3' 1 27 DG H8 5.500 3.500 7.500 4.949 4.824 5.165 . 0 0 "[ . 1]" 1
765 1 26 DG H1' 1 27 DG H8 3.200 . 4.600 3.536 3.382 3.768 . 0 0 "[ . 1]" 1
766 1 26 DG H4' 1 27 DG H8 5.500 3.500 7.500 5.960 5.838 6.134 . 0 0 "[ . 1]" 1
767 1 26 DG H1' 1 27 DG H4' 4.800 3.600 6.000 4.752 4.366 5.054 . 0 0 "[ . 1]" 1
768 1 27 DG H2'' 1 27 DG H8 3.200 . 4.600 4.253 4.059 4.616 0.016 5 0 "[ . 1]" 1
769 1 27 DG H2' 1 27 DG H8 4.650 . 7.500 2.831 2.581 3.301 . 0 0 "[ . 1]" 1
770 1 27 DG H1' 1 27 DG H2'' 3.000 2.250 3.750 2.446 2.397 2.596 . 0 0 "[ . 1]" 1
771 1 27 DG H1' 1 27 DG H2' 3.800 2.850 4.750 3.023 3.013 3.029 . 0 0 "[ . 1]" 1
772 1 27 DG H3' 1 27 DG H8 3.800 2.850 4.750 4.505 4.269 4.751 0.001 8 0 "[ . 1]" 1
773 1 27 DG H1' 1 27 DG H3' 3.800 2.850 4.750 3.831 3.795 3.868 . 0 0 "[ . 1]" 1
774 1 27 DG H1' 1 27 DG H8 3.800 2.850 4.750 3.887 3.812 3.916 . 0 0 "[ . 1]" 1
775 1 27 DG H2' 1 27 DG H2'' 2.400 . 3.000 1.793 1.791 1.794 0.009 10 0 "[ . 1]" 1
776 1 27 DG H4' 1 27 DG H8 4.800 3.600 6.000 4.763 4.578 4.877 . 0 0 "[ . 1]" 1
777 1 27 DG H1' 1 27 DG H4' 3.800 2.850 4.750 3.026 2.847 3.250 0.003 1 0 "[ . 1]" 1
778 1 27 DG H2'' 1 27 DG H3' 3.000 2.250 3.750 2.697 2.453 2.804 . 0 0 "[ . 1]" 1
779 1 27 DG H2' 1 27 DG H3' 3.000 2.250 3.750 2.330 2.295 2.359 . 0 0 "[ . 1]" 1
780 1 27 DG H3' 1 27 DG H4' 3.000 2.250 3.750 2.851 2.779 2.924 . 0 0 "[ . 1]" 1
781 1 27 DG H2'' 1 27 DG H4' 4.800 3.600 6.000 3.890 3.716 4.035 . 0 0 "[ . 1]" 1
782 1 27 DG H2' 1 27 DG H4' 3.800 2.850 4.750 3.865 3.827 3.896 . 0 0 "[ . 1]" 1
783 1 27 DG H3' 1 28 DT C7 6.000 4.500 8.000 6.805 5.025 8.049 0.049 5 0 "[ . 1]" 1
784 1 27 DG H4' 1 28 DT H3' 3.200 . 4.600 3.231 2.177 4.753 0.153 8 0 "[ . 1]" 1
785 1 27 DG H4' 1 28 DT H2' 4.800 3.600 6.000 4.014 3.490 4.574 0.110 1 0 "[ . 1]" 1
786 1 27 DG H4' 1 28 DT H2'' 5.500 3.500 7.500 5.435 4.833 6.129 . 0 0 "[ . 1]" 1
787 1 28 DT C7 1 28 DT H6 2.400 . 3.500 2.659 2.657 2.660 . 0 0 "[ . 1]" 1
788 1 28 DT H2' 1 28 DT H6 2.400 . 3.000 2.200 2.193 2.216 . 0 0 "[ . 1]" 1
789 1 28 DT H2'' 1 28 DT H6 3.000 2.250 3.750 3.632 3.541 3.697 . 0 0 "[ . 1]" 1
790 1 28 DT C7 1 28 DT H1' 6.000 4.500 8.000 5.831 5.830 5.834 . 0 0 "[ . 1]" 1
791 1 28 DT H1' 1 28 DT H2' 3.000 2.250 3.750 3.022 3.002 3.028 . 0 0 "[ . 1]" 1
792 1 28 DT H1' 1 28 DT H2'' 2.400 . 3.000 2.292 2.196 2.379 . 0 0 "[ . 1]" 1
793 1 28 DT H1' 1 28 DT H6 3.800 2.850 4.750 3.732 3.729 3.734 . 0 0 "[ . 1]" 1
794 1 28 DT H3' 1 28 DT H6 3.200 . 4.600 3.966 3.571 4.130 . 0 0 "[ . 1]" 1
795 1 28 DT H1' 1 28 DT H3' 3.800 2.850 4.750 3.829 3.800 3.884 . 0 0 "[ . 1]" 1
796 1 28 DT C7 1 28 DT H2'' 6.000 4.500 8.000 5.810 5.683 5.907 . 0 0 "[ . 1]" 1
797 1 28 DT H2' 1 28 DT H2'' 2.400 . 3.000 1.792 1.790 1.795 0.010 1 0 "[ . 1]" 1
798 1 28 DT C7 1 28 DT H2' 4.800 3.600 6.500 4.587 4.543 4.605 . 0 0 "[ . 1]" 1
799 1 28 DT C7 1 28 DT H3' 6.000 4.500 8.000 6.563 6.159 6.730 . 0 0 "[ . 1]" 1
800 1 28 DT H4' 1 28 DT H6 3.800 2.850 4.750 4.616 4.475 4.695 . 0 0 "[ . 1]" 1
801 1 28 DT H1' 1 28 DT H4' 3.000 2.250 3.750 2.990 2.707 3.308 . 0 0 "[ . 1]" 1
802 1 28 DT H2' 1 28 DT H3' 3.000 2.250 3.750 2.332 2.290 2.375 . 0 0 "[ . 1]" 1
803 1 28 DT H2'' 1 28 DT H3' 3.000 2.250 3.750 2.888 2.789 2.995 . 0 0 "[ . 1]" 1
804 1 28 DT H3' 1 28 DT H4' 3.000 2.250 3.750 2.861 2.760 2.976 . 0 0 "[ . 1]" 1
805 1 28 DT H2' 1 28 DT H4' 3.800 2.850 4.750 3.858 3.812 3.895 . 0 0 "[ . 1]" 1
806 1 28 DT H2'' 1 28 DT H4' 4.800 3.600 6.000 3.905 3.558 4.123 0.042 1 0 "[ . 1]" 1
807 1 28 DT H4' 1 29 DG H8 6.000 4.500 7.500 6.333 4.679 6.981 . 0 0 "[ . 1]" 1
808 1 28 DT H1' 1 29 DG H4' 6.000 4.500 7.500 6.665 5.817 7.582 0.082 8 0 "[ . 1]" 1
809 1 28 DT H4' 1 29 DG H3' 3.000 2.250 3.750 3.081 2.579 3.563 . 0 0 "[ . 1]" 1
810 1 28 DT H4' 1 29 DG H2' 4.800 3.600 6.000 4.532 3.885 4.996 . 0 0 "[ . 1]" 1
811 1 28 DT H4' 1 29 DG H2'' 6.000 4.500 7.500 5.183 4.446 5.945 0.054 10 0 "[ . 1]" 1
812 1 28 DT H4' 1 30 DG H8 6.000 4.500 7.500 6.474 5.573 7.230 . 0 0 "[ . 1]" 1
813 1 29 DG H2' 1 29 DG H8 3.000 2.250 3.750 2.778 2.576 3.147 . 0 0 "[ . 1]" 1
814 1 29 DG H2'' 1 29 DG H8 3.800 2.850 4.750 4.187 4.066 4.476 . 0 0 "[ . 1]" 1
815 1 29 DG H1' 1 29 DG H8 3.800 2.850 4.750 3.899 3.849 3.912 . 0 0 "[ . 1]" 1
816 1 29 DG H1' 1 29 DG H2' 3.800 2.850 4.750 3.013 2.996 3.022 . 0 0 "[ . 1]" 1
817 1 29 DG H1' 1 29 DG H2'' 3.000 2.250 3.750 2.330 2.196 2.454 0.054 1 0 "[ . 1]" 1
818 1 29 DG H3' 1 29 DG H8 3.800 2.850 4.750 4.251 3.972 4.507 . 0 0 "[ . 1]" 1
819 1 29 DG H1' 1 29 DG H3' 4.800 3.600 6.000 3.865 3.836 3.891 . 0 0 "[ . 1]" 1
820 1 29 DG H2' 1 29 DG H2'' 2.400 . 3.000 1.791 1.788 1.793 0.012 1 0 "[ . 1]" 1
821 1 29 DG H4' 1 29 DG H8 4.800 3.600 6.000 4.808 4.712 4.846 . 0 0 "[ . 1]" 1
822 1 29 DG H1' 1 29 DG H4' 3.200 . 4.600 2.884 2.689 3.117 . 0 0 "[ . 1]" 1
823 1 29 DG H2' 1 29 DG H3' 3.000 2.250 3.750 2.303 2.282 2.327 . 0 0 "[ . 1]" 1
824 1 29 DG H2'' 1 29 DG H3' 3.000 2.250 3.750 2.859 2.670 3.031 . 0 0 "[ . 1]" 1
825 1 29 DG H3' 1 29 DG H4' 3.000 2.250 3.750 2.913 2.838 2.985 . 0 0 "[ . 1]" 1
826 1 29 DG H2' 1 29 DG H4' 3.800 2.850 4.750 3.887 3.870 3.899 . 0 0 "[ . 1]" 1
827 1 29 DG H2'' 1 29 DG H4' 5.500 3.500 7.500 3.749 3.496 3.933 0.004 1 0 "[ . 1]" 1
828 1 29 DG H2' 1 30 DG H8 3.000 2.250 3.750 2.977 2.723 3.232 . 0 0 "[ . 1]" 1
829 1 29 DG H2'' 1 30 DG H8 2.400 . 3.000 2.240 2.187 2.495 . 0 0 "[ . 1]" 1
830 1 29 DG H1' 1 30 DG H8 3.800 2.850 4.750 3.780 3.386 4.166 . 0 0 "[ . 1]" 1
831 1 29 DG H3' 1 30 DG H8 3.800 2.850 4.750 4.763 4.556 4.816 0.066 2 0 "[ . 1]" 1
832 1 29 DG H4' 1 30 DG H8 5.500 3.500 7.500 5.894 5.715 5.991 . 0 0 "[ . 1]" 1
833 1 29 DG H2'' 1 30 DG H3' 4.800 3.600 6.000 4.470 4.302 4.683 . 0 0 "[ . 1]" 1
834 1 30 DG Q2' 1 30 DG H8 2.400 . 3.500 2.639 2.558 2.753 . 0 0 "[ . 1]" 1
835 1 30 DG H1' 1 30 DG H8 3.800 2.850 4.750 3.908 3.898 3.913 . 0 0 "[ . 1]" 1
836 1 30 DG H1' 1 30 DG Q2' 3.000 2.250 4.250 2.297 2.260 2.318 . 0 0 "[ . 1]" 1
837 1 30 DG H3' 1 30 DG H8 3.800 2.850 4.750 4.292 4.161 4.370 . 0 0 "[ . 1]" 1
838 1 30 DG H1' 1 30 DG H3' 3.800 2.850 4.750 3.856 3.843 3.881 . 0 0 "[ . 1]" 1
839 1 30 DG H4' 1 30 DG H8 4.800 3.600 6.000 4.838 4.804 4.878 . 0 0 "[ . 1]" 1
840 1 30 DG H1' 1 30 DG H4' 3.000 2.250 3.750 2.939 2.836 3.023 . 0 0 "[ . 1]" 1
841 1 30 DG Q2' 1 30 DG H3' 3.000 2.250 4.250 2.207 2.201 2.213 0.049 4 0 "[ . 1]" 1
842 1 30 DG H3' 1 30 DG H4' 3.000 2.250 3.750 2.891 2.863 2.935 . 0 0 "[ . 1]" 1
843 1 30 DG Q2' 1 30 DG H4' 4.800 3.600 6.500 3.435 3.372 3.465 0.228 6 0 "[ . 1]" 1
844 1 30 DG Q2' 1 31 DG H8 3.000 2.250 4.250 2.210 2.155 2.297 0.095 6 0 "[ . 1]" 1
845 1 30 DG H1' 1 31 DG H1' 6.000 4.500 7.500 5.525 5.412 5.570 . 0 0 "[ . 1]" 1
846 1 30 DG H3' 1 31 DG H8 4.800 3.600 6.000 4.902 4.785 5.040 . 0 0 "[ . 1]" 1
847 1 30 DG H1' 1 31 DG H3' 6.000 4.500 7.500 5.895 5.753 6.073 . 0 0 "[ . 1]" 1
848 1 30 DG H1' 1 31 DG H8 3.000 2.250 3.750 3.614 3.457 3.752 0.002 3 0 "[ . 1]" 1
849 1 30 DG H4' 1 31 DG H8 6.000 4.500 7.500 5.915 5.811 6.020 . 0 0 "[ . 1]" 1
850 1 30 DG H1' 1 31 DG H4' 4.800 3.600 6.000 4.923 4.851 4.996 . 0 0 "[ . 1]" 1
851 1 30 DG Q2' 1 31 DG H4' 4.800 3.600 6.500 4.810 4.566 4.939 . 0 0 "[ . 1]" 1
852 1 30 DG H8 1 31 DG H8 3.800 2.850 4.750 4.817 4.783 4.848 0.098 9 0 "[ . 1]" 1
853 1 30 DG H8 1 32 DT C7 6.000 4.500 8.000 7.862 7.746 7.961 . 0 0 "[ . 1]" 1
854 1 30 DG H1' 1 32 DT C7 6.000 4.500 8.000 7.482 7.362 7.654 . 0 0 "[ . 1]" 1
855 1 30 DG Q2' 1 32 DT C7 6.000 4.500 8.500 5.090 5.000 5.161 . 0 0 "[ . 1]" 1
856 1 30 DG H3' 1 32 DT C7 6.000 4.500 8.000 7.324 7.139 7.479 . 0 0 "[ . 1]" 1
857 1 31 DG H2' 1 31 DG H8 2.400 . 3.000 2.521 2.476 2.570 . 0 0 "[ . 1]" 1
858 1 31 DG H2'' 1 31 DG H8 3.000 2.250 3.750 3.795 3.789 3.799 0.049 4 0 "[ . 1]" 1
859 1 31 DG H1' 1 31 DG H2' 3.000 2.250 3.750 3.029 3.028 3.031 . 0 0 "[ . 1]" 1
860 1 31 DG H1' 1 31 DG H2'' 3.000 2.250 3.750 2.287 2.243 2.340 0.007 6 0 "[ . 1]" 1
861 1 31 DG H3' 1 31 DG H8 3.800 2.850 4.750 4.502 4.481 4.531 . 0 0 "[ . 1]" 1
862 1 31 DG H1' 1 31 DG H3' 3.800 2.850 4.750 3.777 3.771 3.785 . 0 0 "[ . 1]" 1
863 1 31 DG H2' 1 31 DG H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 10 0 "[ . 1]" 1
864 1 31 DG H1' 1 31 DG H8 3.800 2.850 4.750 3.918 3.917 3.920 . 0 0 "[ . 1]" 1
865 1 31 DG H4' 1 31 DG H8 4.800 3.600 6.000 4.940 4.922 4.963 . 0 0 "[ . 1]" 1
866 1 31 DG H1' 1 31 DG H4' 3.800 2.850 4.750 3.011 2.988 3.045 . 0 0 "[ . 1]" 1
867 1 31 DG H2' 1 31 DG H3' 2.400 . 3.000 2.348 2.345 2.351 . 0 0 "[ . 1]" 1
868 1 31 DG H2'' 1 31 DG H3' 3.000 2.250 3.750 2.897 2.841 2.944 . 0 0 "[ . 1]" 1
869 1 31 DG H3' 1 31 DG H4' 3.000 2.250 3.750 2.835 2.829 2.840 . 0 0 "[ . 1]" 1
870 1 31 DG H2' 1 31 DG H4' 4.800 3.600 6.000 3.831 3.828 3.833 . 0 0 "[ . 1]" 1
871 1 31 DG H2'' 1 31 DG H4' 3.800 2.850 4.750 4.014 4.007 4.022 . 0 0 "[ . 1]" 1
872 1 31 DG H8 1 32 DT H6 4.800 3.600 6.000 4.808 4.732 4.880 . 0 0 "[ . 1]" 1
873 1 31 DG H8 1 32 DT C7 3.000 2.250 4.250 3.987 3.898 4.082 . 0 0 "[ . 1]" 1
874 1 31 DG H2' 1 32 DT H6 3.800 2.850 4.750 3.280 3.256 3.302 . 0 0 "[ . 1]" 1
875 1 31 DG H2'' 1 32 DT H6 3.000 2.250 3.750 2.395 2.343 2.448 . 0 0 "[ . 1]" 1
876 1 31 DG H1' 1 32 DT C7 4.800 3.600 6.500 5.732 5.647 5.823 . 0 0 "[ . 1]" 1
877 1 31 DG H1' 1 32 DT H1' 6.000 4.500 7.500 5.235 5.052 5.431 . 0 0 "[ . 1]" 1
878 1 31 DG H3' 1 32 DT H6 4.800 3.600 6.000 4.729 4.688 4.771 . 0 0 "[ . 1]" 1
879 1 31 DG H1' 1 32 DT H3' 6.000 4.500 7.500 5.644 5.559 5.733 . 0 0 "[ . 1]" 1
880 1 31 DG H2'' 1 32 DT C7 4.800 3.600 6.500 3.916 3.847 3.984 . 0 0 "[ . 1]" 1
881 1 31 DG H2' 1 32 DT C7 5.500 3.500 8.000 3.423 3.407 3.443 0.093 2 0 "[ . 1]" 1
882 1 31 DG H3' 1 32 DT C7 3.800 2.850 5.250 5.304 5.286 5.321 0.071 2 0 "[ . 1]" 1
883 1 31 DG H8 1 32 DT H4' 6.000 4.500 7.500 7.545 7.532 7.555 0.055 3 0 "[ . 1]" 1
884 1 31 DG H4' 1 32 DT H6 6.000 4.500 7.500 6.390 6.349 6.424 . 0 0 "[ . 1]" 1
885 1 31 DG H1' 1 32 DT H4' 4.800 3.600 6.000 4.429 4.308 4.557 . 0 0 "[ . 1]" 1
886 1 31 DG H1' 1 32 DT H5'' 4.800 3.600 6.000 4.472 4.451 4.490 . 0 0 "[ . 1]" 1
887 1 31 DG H1' 1 32 DT H5' 3.800 2.850 4.750 2.795 2.785 2.806 0.065 2 0 "[ . 1]" 1
888 1 31 DG H4' 1 32 DT C7 6.000 4.500 8.000 7.245 7.223 7.267 . 0 0 "[ . 1]" 1
889 1 31 DG H1' 1 32 DT H6 4.800 3.600 6.000 4.401 4.287 4.519 . 0 0 "[ . 1]" 1
890 1 31 DG H2'' 1 32 DT H4' 6.000 4.500 7.500 4.417 4.407 4.433 0.093 7 0 "[ . 1]" 1
891 1 32 DT H4' 1 32 DT H5' 2.400 . 3.000 2.427 2.419 2.436 . 0 0 "[ . 1]" 1
892 1 32 DT H4' 1 32 DT H5'' 2.400 . 3.000 2.489 2.481 2.498 . 0 0 "[ . 1]" 1
893 1 32 DT H5' 1 32 DT H5'' 2.400 . 3.000 1.775 1.774 1.776 0.026 9 0 "[ . 1]" 1
894 1 32 DT C7 1 32 DT H6 2.400 . 3.500 2.660 2.659 2.661 . 0 0 "[ . 1]" 1
895 1 32 DT Q2' 1 32 DT H6 3.000 2.250 4.250 2.162 2.160 2.164 0.090 2 0 "[ . 1]" 1
896 1 32 DT C7 1 32 DT H1' 6.000 4.500 8.000 5.833 5.833 5.835 . 0 0 "[ . 1]" 1
897 1 32 DT H1' 1 32 DT Q2' 3.000 2.250 4.250 2.294 2.268 2.303 . 0 0 "[ . 1]" 1
898 1 32 DT H3' 1 32 DT H6 3.000 2.250 3.750 3.834 3.826 3.840 0.090 3 0 "[ . 1]" 1
899 1 32 DT H1' 1 32 DT H3' 3.800 2.850 4.750 3.836 3.834 3.837 . 0 0 "[ . 1]" 1
900 1 32 DT C7 1 32 DT Q2' 4.800 3.600 7.000 4.416 4.412 4.419 . 0 0 "[ . 1]" 1
901 1 32 DT C7 1 32 DT H3' 4.800 3.600 6.500 6.432 6.423 6.438 . 0 0 "[ . 1]" 1
902 1 32 DT H4' 1 32 DT H6 4.800 3.600 6.000 4.681 4.677 4.685 . 0 0 "[ . 1]" 1
903 1 32 DT H1' 1 32 DT H4' 3.000 2.250 3.750 2.831 2.819 2.837 . 0 0 "[ . 1]" 1
904 1 32 DT H5'' 1 32 DT H6 4.800 3.600 6.000 4.959 4.941 4.981 . 0 0 "[ . 1]" 1
905 1 32 DT H5' 1 32 DT H6 4.800 3.600 6.000 4.576 4.556 4.592 . 0 0 "[ . 1]" 1
906 1 32 DT H1' 1 32 DT H5'' 5.500 3.500 7.500 4.864 4.861 4.867 . 0 0 "[ . 1]" 1
907 1 32 DT H1' 1 32 DT H5' 5.500 3.500 7.500 4.546 4.538 4.553 . 0 0 "[ . 1]" 1
908 1 32 DT C7 1 32 DT H4' 6.000 4.500 8.000 7.213 7.209 7.216 . 0 0 "[ . 1]" 1
909 1 32 DT H1' 1 32 DT H6 3.000 2.250 3.750 3.733 3.732 3.734 . 0 0 "[ . 1]" 1
910 1 32 DT Q2' 1 32 DT H3' 3.000 2.250 4.250 2.189 2.187 2.196 0.063 8 0 "[ . 1]" 1
911 1 32 DT H3' 1 32 DT H4' 3.000 2.250 3.750 2.915 2.912 2.918 . 0 0 "[ . 1]" 1
912 1 32 DT Q2' 1 32 DT H4' 5.500 3.500 8.000 3.407 3.402 3.414 0.098 9 0 "[ . 1]" 1
913 1 13 DG H1 1 20 DT H3 5.800 3.800 7.800 4.458 4.372 4.581 . 0 0 "[ . 1]" 1
914 1 11 DG H1 1 22 DG H1 5.800 3.800 7.800 4.098 3.747 4.654 0.053 6 0 "[ . 1]" 1
915 1 13 DG H1 1 22 DG H1 3.150 . 4.500 3.681 3.489 3.781 . 0 0 "[ . 1]" 1
916 1 3 DG H1 1 29 DG H1 5.800 3.800 7.800 4.621 4.543 4.674 . 0 0 "[ . 1]" 1
917 1 3 DG H1 1 30 DG H1 5.800 3.800 7.800 4.482 4.337 4.648 . 0 0 "[ . 1]" 1
918 1 3 DG H1 1 7 DG H1 5.800 3.800 7.800 4.632 4.561 4.674 . 0 0 "[ . 1]" 1
919 1 3 DG H1 1 4 DG H1 3.150 . 4.500 3.830 3.425 4.293 . 0 0 "[ . 1]" 1
920 1 25 DG H1 1 29 DG H1 5.800 3.800 7.800 4.606 4.394 4.662 . 0 0 "[ . 1]" 1
921 1 8 DG H1 1 25 DG H1 5.800 3.800 7.800 4.609 4.294 5.241 . 0 0 "[ . 1]" 1
922 1 7 DG H1 1 25 DG H1 5.800 3.800 7.800 4.613 4.565 4.672 . 0 0 "[ . 1]" 1
923 1 25 DG H1 1 26 DG H1 3.150 . 4.500 3.690 3.333 3.968 . 0 0 "[ . 1]" 1
924 1 27 DG H1 1 30 DG H1 5.800 3.800 7.800 4.523 4.406 4.699 . 0 0 "[ . 1]" 1
925 1 5 DG H1 1 8 DG H1 5.800 3.800 7.800 4.463 4.184 4.658 . 0 0 "[ . 1]" 1
926 1 20 DT H3 1 21 DC H42 5.800 3.800 7.800 4.533 3.997 4.945 . 0 0 "[ . 1]" 1
927 1 14 DA H2 1 20 DT H3 2.500 . 3.200 2.584 2.372 2.783 . 0 0 "[ . 1]" 1
928 1 15 DA H2 1 20 DT H3 4.200 3.000 5.400 3.649 3.344 3.971 . 0 0 "[ . 1]" 1
929 1 20 DT H3 1 21 DC H41 5.800 3.800 7.800 4.180 3.781 4.508 0.019 9 0 "[ . 1]" 1
930 1 15 DA H2 1 19 DT H3 2.500 . 3.200 2.217 2.191 2.266 . 0 0 "[ . 1]" 1
931 1 11 DG H1 1 23 DC H42 3.200 2.400 4.000 3.966 3.741 4.187 0.187 9 0 "[ . 1]" 1
932 1 11 DG H1 1 23 DC H41 2.500 . 3.200 2.461 2.151 2.752 . 0 0 "[ . 1]" 1
933 1 12 DC H42 1 22 DG H1 3.200 2.400 4.000 3.780 3.658 3.913 . 0 0 "[ . 1]" 1
934 1 21 DC H42 1 22 DG H1 5.800 3.800 7.800 5.687 5.332 5.916 . 0 0 "[ . 1]" 1
935 1 12 DC H41 1 22 DG H1 2.500 . 3.200 2.230 2.080 2.386 . 0 0 "[ . 1]" 1
936 1 21 DC H41 1 22 DG H1 5.000 3.600 6.400 4.450 4.059 4.669 . 0 0 "[ . 1]" 1
937 1 12 DC H42 1 13 DG H1 5.800 3.800 7.800 5.760 5.655 5.849 . 0 0 "[ . 1]" 1
938 1 13 DG H1 1 21 DC H42 3.200 2.400 4.000 4.028 4.007 4.042 0.042 1 0 "[ . 1]" 1
939 1 13 DG H1 1 14 DA H2 4.200 3.000 5.400 4.295 4.048 4.468 . 0 0 "[ . 1]" 1
940 1 12 DC H41 1 13 DG H1 5.000 3.600 6.400 4.397 4.319 4.478 . 0 0 "[ . 1]" 1
941 1 13 DG H1 1 21 DC H41 2.500 . 3.200 2.535 2.512 2.573 . 0 0 "[ . 1]" 1
942 1 3 DG H1 1 7 DG H8 4.200 3.000 5.400 4.471 4.145 4.902 . 0 0 "[ . 1]" 1
943 1 25 DG H1 1 29 DG H8 4.200 3.000 5.400 4.424 4.060 4.949 . 0 0 "[ . 1]" 1
944 1 29 DG H1 1 30 DG H8 6.000 4.200 7.800 5.897 5.594 6.063 . 0 0 "[ . 1]" 1
945 1 3 DG H8 1 29 DG H1 4.200 3.000 5.400 4.464 4.127 5.041 . 0 0 "[ . 1]" 1
946 1 4 DG H8 1 30 DG H1 4.200 3.000 5.400 4.575 4.331 4.782 . 0 0 "[ . 1]" 1
947 1 3 DG H8 1 30 DG H1 5.000 3.600 6.400 5.259 4.884 5.811 . 0 0 "[ . 1]" 1
948 1 8 DG H1 1 26 DG H8 4.200 3.000 5.400 4.591 4.369 4.790 . 0 0 "[ . 1]" 1
949 1 8 DG H1 1 25 DG H8 5.000 3.600 6.400 4.787 4.638 4.966 . 0 0 "[ . 1]" 1
950 1 7 DG H1 1 24 DG H8 5.000 3.600 6.400 6.137 5.697 6.425 0.025 4 0 "[ . 1]" 1
951 1 7 DG H1 1 25 DG H8 4.200 3.000 5.400 4.142 3.923 4.571 . 0 0 "[ . 1]" 1
952 1 26 DG H1 1 27 DG H8 5.800 3.800 7.800 5.767 5.588 5.868 . 0 0 "[ . 1]" 1
953 1 4 DG H1 1 5 DG H8 5.800 3.800 7.800 5.559 5.336 5.729 . 0 0 "[ . 1]" 1
954 1 26 DG H1 1 30 DG H8 4.200 3.000 5.400 4.182 3.980 4.345 . 0 0 "[ . 1]" 1
955 1 4 DG H1 1 8 DG H8 4.200 3.000 5.400 4.182 3.920 4.458 . 0 0 "[ . 1]" 1
956 1 9 DG H1 1 27 DG H8 4.200 3.000 5.400 4.402 4.019 4.653 . 0 0 "[ . 1]" 1
957 1 5 DG H8 1 31 DG H1 4.200 3.000 5.400 4.223 4.008 4.537 . 0 0 "[ . 1]" 1
958 1 5 DG H1 1 9 DG H8 4.200 3.000 5.400 4.436 4.066 4.702 . 0 0 "[ . 1]" 1
959 1 5 DG H1 1 8 DG H8 5.000 3.600 6.400 4.906 4.583 5.317 . 0 0 "[ . 1]" 1
960 1 27 DG H1 1 31 DG H8 4.200 3.000 5.400 4.165 4.012 4.397 . 0 0 "[ . 1]" 1
961 1 27 DG H1 1 30 DG H8 5.000 3.600 6.400 5.037 4.855 5.327 . 0 0 "[ . 1]" 1
962 1 11 DG H1 1 23 DC H5 5.800 3.800 7.800 4.997 4.891 5.107 . 0 0 "[ . 1]" 1
963 1 12 DC H5 1 22 DG H1 5.000 3.600 6.400 4.911 4.838 4.999 . 0 0 "[ . 1]" 1
964 1 12 DC H1' 1 22 DG H1 6.000 4.200 7.800 5.267 5.152 5.415 . 0 0 "[ . 1]" 1
965 1 22 DG H1 1 23 DC H1' 6.000 4.200 7.800 5.984 5.457 6.792 . 0 0 "[ . 1]" 1
966 1 13 DG H1 1 21 DC H1' 5.800 3.800 7.800 5.082 5.026 5.168 . 0 0 "[ . 1]" 1
967 1 3 DG H1 1 4 DG H1' 6.000 4.200 7.800 5.989 5.762 6.336 . 0 0 "[ . 1]" 1
968 1 25 DG H1 1 26 DG H1' 6.000 4.200 7.800 6.234 5.974 6.675 . 0 0 "[ . 1]" 1
969 1 2 DT H1' 1 29 DG H1 5.000 3.600 6.400 6.162 5.713 6.418 0.018 5 0 "[ . 1]" 1
970 1 1 DT H1' 1 29 DG H1 5.800 3.800 7.800 6.850 4.935 7.709 . 0 0 "[ . 1]" 1
971 1 7 DG H1 1 24 DG H1' 5.000 3.600 6.400 6.053 5.525 6.464 0.064 7 0 "[ . 1]" 1
972 1 26 DG H1 1 27 DG H1' 6.000 4.200 7.800 5.582 5.288 5.935 . 0 0 "[ . 1]" 1
973 1 4 DG H1 1 5 DG H1' 6.000 4.200 7.800 5.669 5.316 5.926 . 0 0 "[ . 1]" 1
974 1 5 DG H1 1 8 DG H1' 6.000 4.200 7.800 5.752 5.419 6.244 . 0 0 "[ . 1]" 1
975 1 27 DG H1 1 30 DG H1' 6.000 4.200 7.800 6.275 6.154 6.551 . 0 0 "[ . 1]" 1
976 1 13 DG H1 1 21 DC H5 5.800 3.800 7.800 5.035 5.016 5.087 . 0 0 "[ . 1]" 1
977 1 31 DG H1 1 32 DT H1' 5.000 3.600 6.400 5.091 4.724 5.441 . 0 0 "[ . 1]" 1
978 1 13 DG H1 1 20 DT C7 5.800 3.800 8.300 7.188 6.970 7.314 . 0 0 "[ . 1]" 1
979 1 2 DT C7 1 3 DG H1 6.000 4.200 8.300 6.992 6.223 7.705 . 0 0 "[ . 1]" 1
980 1 2 DT C7 1 25 DG H1 5.000 3.600 6.900 5.552 4.754 6.180 . 0 0 "[ . 1]" 1
981 1 2 DT C7 1 29 DG H1 4.200 3.000 5.900 4.122 3.356 4.797 . 0 0 "[ . 1]" 1
982 1 1 DT H2' 1 29 DG H1 6.000 4.200 7.800 7.828 7.586 7.991 0.191 8 0 "[ . 1]" 1
983 1 2 DT H2' 1 29 DG H1 5.000 3.600 6.400 4.776 3.844 5.654 . 0 0 "[ . 1]" 1
984 1 1 DT H2'' 1 29 DG H1 6.000 4.200 7.800 6.262 5.901 6.702 . 0 0 "[ . 1]" 1
985 1 2 DT H2'' 1 29 DG H1 4.200 3.000 5.400 4.746 4.318 5.512 0.112 8 0 "[ . 1]" 1
986 1 3 DG H2' 1 29 DG H1 6.000 4.200 7.800 6.454 6.180 6.932 . 0 0 "[ . 1]" 1
987 1 3 DG H2' 1 30 DG H1 6.000 4.200 7.800 6.110 5.731 6.559 . 0 0 "[ . 1]" 1
988 1 3 DG H2'' 1 30 DG H1 6.000 4.200 7.800 6.238 5.953 6.594 . 0 0 "[ . 1]" 1
989 1 8 DG H1 1 25 DG H2' 5.000 3.600 6.400 5.461 5.358 5.540 . 0 0 "[ . 1]" 1
990 1 8 DG H1 1 25 DG H2'' 6.000 4.200 7.800 5.747 5.610 5.958 . 0 0 "[ . 1]" 1
991 1 7 DG H1 1 24 DG H2'' 5.000 3.600 6.400 4.371 3.870 4.744 . 0 0 "[ . 1]" 1
992 1 7 DG H1 1 24 DG H2' 5.000 3.600 6.400 4.897 4.359 5.328 . 0 0 "[ . 1]" 1
993 1 26 DG H1 1 29 DG H2' 5.000 3.600 6.400 5.145 4.968 5.263 . 0 0 "[ . 1]" 1
994 1 4 DG H1 1 7 DG H2' 5.000 3.600 6.400 5.157 4.986 5.395 . 0 0 "[ . 1]" 1
995 1 26 DG H1 1 29 DG H2'' 6.000 4.200 7.800 5.704 5.432 5.967 . 0 0 "[ . 1]" 1
996 1 4 DG H1 1 7 DG H2'' 6.000 4.200 7.800 5.500 4.531 5.833 . 0 0 "[ . 1]" 1
997 1 31 DG H1 1 32 DT C7 6.000 4.200 8.300 7.667 7.477 7.868 . 0 0 "[ . 1]" 1
998 1 9 DG H1 1 26 DG H2' 5.000 3.600 6.400 5.416 5.143 5.543 . 0 0 "[ . 1]" 1
999 1 4 DG H2' 1 31 DG H1 5.000 3.600 6.400 5.562 5.242 6.201 . 0 0 "[ . 1]" 1
1000 1 9 DG H1 1 26 DG H2'' 6.000 4.200 7.800 5.798 5.297 5.987 . 0 0 "[ . 1]" 1
1001 1 4 DG H2'' 1 31 DG H1 6.000 4.200 7.800 5.907 5.646 6.213 . 0 0 "[ . 1]" 1
1002 1 5 DG H1 1 8 DG H2' 4.200 3.000 5.400 5.246 5.022 5.421 0.021 4 0 "[ . 1]" 1
1003 1 5 DG H1 1 8 DG H2'' 4.200 3.000 5.400 5.034 4.588 5.420 0.020 7 0 "[ . 1]" 1
1004 1 27 DG H1 1 32 DT C7 4.200 3.000 5.900 5.664 5.548 5.727 . 0 0 "[ . 1]" 1
1005 1 27 DG H1 1 31 DG H2' 6.000 4.200 7.800 6.196 6.051 6.407 . 0 0 "[ . 1]" 1
1006 1 27 DG H1 1 30 DG Q2' 4.200 3.000 5.900 4.985 4.853 5.167 . 0 0 "[ . 1]" 1
1007 1 8 DG H1 1 25 DG H3' 6.000 4.200 7.800 7.789 7.682 7.863 0.063 4 0 "[ . 1]" 1
1008 1 7 DG H1 1 24 DG H3' 6.000 4.200 7.800 6.621 5.926 7.164 . 0 0 "[ . 1]" 1
1009 1 9 DG H1 1 26 DG H3' 6.000 4.200 7.800 7.717 7.432 7.834 0.034 8 0 "[ . 1]" 1
1010 1 5 DG H1 1 8 DG H3' 6.000 4.200 7.800 7.472 7.198 7.645 . 0 0 "[ . 1]" 1
1011 1 27 DG H1 1 30 DG H3' 6.000 4.200 7.800 7.737 7.553 7.869 0.069 6 0 "[ . 1]" 1
1012 1 26 DG H1 1 28 DT H3' 6.000 4.200 7.800 7.733 7.157 7.986 0.186 7 0 "[ . 1]" 1
1013 1 4 DG H1 1 6 DT H3' 6.000 4.200 7.800 7.835 7.728 7.949 0.149 3 0 "[ . 1]" 1
1014 1 21 DC H41 1 21 DC H5 3.150 . 4.500 3.671 3.669 3.672 . 0 0 "[ . 1]" 1
1015 1 12 DC H42 1 21 DC H41 3.150 . 4.500 4.549 4.469 4.593 0.093 5 0 "[ . 1]" 1
1016 1 21 DC H41 1 21 DC H42 3.150 . 4.500 1.749 1.749 1.751 0.051 1 0 "[ . 1]" 1
1017 1 20 DT H6 1 21 DC H41 5.800 3.800 7.800 6.343 6.287 6.383 . 0 0 "[ . 1]" 1
1018 1 21 DC H41 1 21 DC H6 5.800 3.800 7.800 5.378 5.376 5.379 . 0 0 "[ . 1]" 1
1019 1 12 DC H41 1 21 DC H41 3.150 . 4.500 3.809 3.614 3.868 . 0 0 "[ . 1]" 1
1020 1 23 DC H41 1 23 DC H5 3.150 . 4.500 3.674 3.672 3.676 . 0 0 "[ . 1]" 1
1021 1 23 DC H41 1 23 DC H42 3.150 . 4.500 1.750 1.749 1.751 0.051 9 0 "[ . 1]" 1
1022 1 23 DC H41 1 23 DC H6 5.800 3.800 7.800 5.378 5.377 5.379 . 0 0 "[ . 1]" 1
1023 1 12 DC H41 1 23 DC H41 5.800 3.800 7.800 4.000 3.757 4.505 0.043 9 0 "[ . 1]" 1
1024 1 12 DC H41 1 12 DC H5 3.150 . 4.500 3.674 3.671 3.675 . 0 0 "[ . 1]" 1
1025 1 12 DC H41 1 21 DC H5 5.800 3.800 7.800 6.247 6.183 6.308 . 0 0 "[ . 1]" 1
1026 1 12 DC H41 1 12 DC H42 3.150 . 4.500 1.750 1.749 1.751 0.051 8 0 "[ . 1]" 1
1027 1 12 DC H41 1 23 DC H42 5.800 3.800 7.800 5.039 4.579 5.522 . 0 0 "[ . 1]" 1
1028 1 12 DC H41 1 21 DC H42 3.150 . 4.500 4.523 4.387 4.572 0.072 8 0 "[ . 1]" 1
1029 1 12 DC H41 1 12 DC H6 5.800 3.800 7.800 5.379 5.378 5.380 . 0 0 "[ . 1]" 1
1030 1 21 DC H42 1 21 DC H6 5.800 3.800 7.800 4.634 4.633 4.637 . 0 0 "[ . 1]" 1
1031 1 22 DG H8 1 23 DC H42 5.800 3.800 7.800 5.345 5.192 5.565 . 0 0 "[ . 1]" 1
1032 1 23 DC H42 1 23 DC H6 5.800 3.800 7.800 4.637 4.635 4.640 . 0 0 "[ . 1]" 1
1033 1 11 DG H8 1 12 DC H42 5.800 3.800 7.800 5.785 5.606 6.171 . 0 0 "[ . 1]" 1
1034 1 12 DC H42 1 12 DC H6 5.800 3.800 7.800 4.637 4.636 4.640 . 0 0 "[ . 1]" 1
1035 1 12 DC H42 1 21 DC H42 5.800 3.800 7.800 4.944 4.905 5.016 . 0 0 "[ . 1]" 1
1036 1 21 DC H42 1 21 DC H5 3.150 . 4.500 2.407 2.405 2.408 . 0 0 "[ . 1]" 1
1037 1 23 DC H42 1 23 DC H5 3.150 . 4.500 2.411 2.409 2.415 . 0 0 "[ . 1]" 1
1038 1 12 DC H42 1 12 DC H5 3.150 . 4.500 2.411 2.408 2.413 . 0 0 "[ . 1]" 1
1039 1 20 DT C7 1 21 DC H41 3.150 . 5.000 5.134 5.100 5.189 0.189 8 0 "[ . 1]" 1
1040 1 11 DG Q2' 1 12 DC H41 5.800 3.800 8.300 6.372 6.309 6.462 . 0 0 "[ . 1]" 1
1041 1 20 DT C7 1 21 DC H42 5.800 3.800 8.300 4.093 3.811 4.311 . 0 0 "[ . 1]" 1
1042 1 19 DT H3 1 20 DT H3 5.800 3.800 7.800 4.224 4.019 4.357 . 0 0 "[ . 1]" 1
1043 1 12 DC H5 1 21 DC H41 5.800 3.800 7.800 6.381 6.307 6.443 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 5
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 17.381
_Distance_constraint_stats_list.Viol_max 0.236
_Distance_constraint_stats_list.Viol_rms 0.0583
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0348
_Distance_constraint_stats_list.Viol_average_violations_only 0.0828
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 0.757 0.217 5 0 "[ . 1]"
1 9 DG 0.208 0.208 9 0 "[ . 1]"
1 10 DC 0.208 0.208 9 0 "[ . 1]"
1 11 DG 0.773 0.236 6 0 "[ . 1]"
1 25 DG 0.773 0.236 6 0 "[ . 1]"
1 29 DG 0.757 0.217 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT H2' 1 29 DG H1' 8.000 4.200 80.000 4.126 3.983 4.214 0.217 5 0 "[ . 1]" 2
2 1 9 DG H4' 1 10 DC H2' 8.000 4.200 80.000 4.944 3.992 6.516 0.208 9 0 "[ . 1]" 2
3 1 10 DC H5 1 25 DG H3' 8.000 4.200 80.000 9.367 4.455 10.991 . 0 0 "[ . 1]" 2
4 1 11 DG H1 1 25 DG H5' 8.000 4.200 80.000 4.273 3.964 4.733 0.236 6 0 "[ . 1]" 2
5 1 11 DG H1 1 25 DG H5'' 8.000 4.200 80.000 4.230 4.106 4.398 0.094 3 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 74
_Distance_constraint_stats_list.Viol_count 195
_Distance_constraint_stats_list.Viol_total 46.792
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0240
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 DG 0.358 0.052 8 0 "[ . 1]"
1 4 DG 0.355 0.040 5 0 "[ . 1]"
1 5 DG 0.766 0.055 3 0 "[ . 1]"
1 7 DG 0.815 0.070 7 0 "[ . 1]"
1 8 DG 0.715 0.072 6 0 "[ . 1]"
1 9 DG 0.646 0.066 2 0 "[ . 1]"
1 11 DG 0.284 0.039 7 0 "[ . 1]"
1 12 DC 0.040 0.015 7 0 "[ . 1]"
1 13 DG 0.009 0.006 1 0 "[ . 1]"
1 14 DA 0.243 0.032 5 0 "[ . 1]"
1 15 DA 0.128 0.047 5 0 "[ . 1]"
1 19 DT 0.128 0.047 5 0 "[ . 1]"
1 20 DT 0.243 0.032 5 0 "[ . 1]"
1 21 DC 0.009 0.006 1 0 "[ . 1]"
1 22 DG 0.040 0.015 7 0 "[ . 1]"
1 23 DC 0.284 0.039 7 0 "[ . 1]"
1 25 DG 0.828 0.070 7 0 "[ . 1]"
1 26 DG 0.804 0.072 6 0 "[ . 1]"
1 27 DG 0.863 0.066 2 0 "[ . 1]"
1 29 DG 0.372 0.052 8 0 "[ . 1]"
1 30 DG 0.444 0.040 5 0 "[ . 1]"
1 31 DG 0.983 0.055 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 DG H21 1 23 DC O2 2.000 . 2.200 1.778 1.761 1.795 0.039 7 0 "[ . 1]" 3
2 1 11 DG N2 1 23 DC O2 2.900 2.600 3.200 2.756 2.650 2.799 . 0 0 "[ . 1]" 3
3 1 11 DG H1 1 23 DC N3 2.000 . 2.200 1.910 1.779 2.014 0.021 1 0 "[ . 1]" 3
4 1 11 DG N1 1 23 DC N3 2.900 2.600 3.200 2.901 2.765 3.005 . 0 0 "[ . 1]" 3
5 1 11 DG O6 1 23 DC H41 2.000 . 2.200 2.018 1.823 2.222 0.022 7 0 "[ . 1]" 3
6 1 11 DG O6 1 23 DC N4 2.900 2.600 3.200 2.979 2.745 3.213 0.013 6 0 "[ . 1]" 3
7 1 12 DC O2 1 22 DG H21 2.000 . 2.200 1.880 1.805 1.976 . 0 0 "[ . 1]" 3
8 1 12 DC O2 1 22 DG N2 2.900 2.600 3.200 2.859 2.782 2.941 . 0 0 "[ . 1]" 3
9 1 12 DC N3 1 22 DG H1 2.000 . 2.200 1.914 1.858 1.992 . 0 0 "[ . 1]" 3
10 1 12 DC N3 1 22 DG N1 2.900 2.600 3.200 2.905 2.844 2.973 . 0 0 "[ . 1]" 3
11 1 12 DC H41 1 22 DG O6 2.000 . 2.200 1.837 1.785 1.980 0.015 7 0 "[ . 1]" 3
12 1 12 DC N4 1 22 DG O6 2.900 2.600 3.200 2.836 2.791 2.966 . 0 0 "[ . 1]" 3
13 1 13 DG H21 1 21 DC O2 2.000 . 2.200 1.866 1.794 2.006 0.006 1 0 "[ . 1]" 3
14 1 13 DG N2 1 21 DC O2 2.900 2.600 3.200 2.858 2.781 3.001 . 0 0 "[ . 1]" 3
15 1 13 DG H1 1 21 DC N3 2.000 . 2.200 1.929 1.902 2.001 . 0 0 "[ . 1]" 3
16 1 13 DG N1 1 21 DC N3 2.900 2.600 3.200 2.932 2.905 3.007 . 0 0 "[ . 1]" 3
17 1 13 DG O6 1 21 DC H41 2.000 . 2.200 1.911 1.850 1.980 . 0 0 "[ . 1]" 3
18 1 13 DG O6 1 21 DC N4 2.900 2.600 3.200 2.903 2.852 2.975 . 0 0 "[ . 1]" 3
19 1 14 DA N1 1 20 DT H3 2.000 . 2.200 1.926 1.813 2.004 . 0 0 "[ . 1]" 3
20 1 14 DA N1 1 20 DT N3 2.900 2.600 3.200 2.893 2.773 2.959 . 0 0 "[ . 1]" 3
21 1 14 DA H61 1 20 DT O4 2.000 . 2.200 1.776 1.768 1.786 0.032 5 0 "[ . 1]" 3
22 1 14 DA N6 1 20 DT O4 2.900 2.600 3.200 2.748 2.726 2.777 . 0 0 "[ . 1]" 3
23 1 15 DA N1 1 19 DT H3 2.000 . 2.200 2.046 1.930 2.213 0.013 4 0 "[ . 1]" 3
24 1 15 DA N1 1 19 DT N3 2.900 2.600 3.200 2.946 2.883 3.038 . 0 0 "[ . 1]" 3
25 1 15 DA H61 1 19 DT O4 2.000 . 2.200 2.147 1.945 2.247 0.047 5 0 "[ . 1]" 3
26 1 15 DA N6 1 19 DT O4 2.900 2.600 3.200 3.000 2.779 3.123 . 0 0 "[ . 1]" 3
27 1 3 DG H21 1 7 DG N7 2.000 . 2.200 1.840 1.781 2.005 0.019 1 0 "[ . 1]" 3
28 1 3 DG N2 1 7 DG N7 2.900 2.600 3.200 2.837 2.755 3.002 . 0 0 "[ . 1]" 3
29 1 3 DG H1 1 7 DG O6 2.000 . 2.200 2.207 2.169 2.233 0.033 1 0 "[ . 1]" 3
30 1 3 DG N1 1 7 DG O6 2.900 2.600 3.200 3.103 2.997 3.179 . 0 0 "[ . 1]" 3
31 1 7 DG H21 1 25 DG N7 2.000 . 2.200 1.778 1.730 1.864 0.070 7 0 "[ . 1]" 3
32 1 7 DG N2 1 25 DG N7 2.900 2.600 3.200 2.754 2.721 2.849 . 0 0 "[ . 1]" 3
33 1 7 DG H1 1 25 DG O6 2.000 . 2.200 2.234 2.214 2.251 0.051 4 0 "[ . 1]" 3
34 1 7 DG N1 1 25 DG O6 2.900 2.600 3.200 3.062 2.987 3.176 . 0 0 "[ . 1]" 3
35 1 25 DG H21 1 29 DG N7 2.000 . 2.200 1.909 1.779 2.135 0.021 2 0 "[ . 1]" 3
36 1 25 DG N2 1 29 DG N7 2.900 2.600 3.200 2.902 2.774 3.134 . 0 0 "[ . 1]" 3
37 1 25 DG H1 1 29 DG O6 2.000 . 2.200 2.187 1.940 2.233 0.033 8 0 "[ . 1]" 3
38 1 25 DG N1 1 29 DG O6 2.900 2.600 3.200 3.055 2.864 3.136 . 0 0 "[ . 1]" 3
39 1 3 DG N7 1 29 DG H21 2.000 . 2.200 2.025 1.828 2.209 0.009 3 0 "[ . 1]" 3
40 1 3 DG N7 1 29 DG N2 2.900 2.600 3.200 3.012 2.806 3.205 0.005 7 0 "[ . 1]" 3
41 1 3 DG O6 1 29 DG H1 2.000 . 2.200 2.209 2.165 2.252 0.052 8 0 "[ . 1]" 3
42 1 3 DG O6 1 29 DG N1 2.900 2.600 3.200 3.063 2.996 3.186 . 0 0 "[ . 1]" 3
43 1 4 DG H21 1 8 DG N7 2.000 . 2.200 1.833 1.765 2.055 0.035 2 0 "[ . 1]" 3
44 1 4 DG N2 1 8 DG N7 2.900 2.600 3.200 2.809 2.734 3.035 . 0 0 "[ . 1]" 3
45 1 4 DG H1 1 8 DG O6 2.000 . 2.200 2.092 1.896 2.188 . 0 0 "[ . 1]" 3
46 1 4 DG N1 1 8 DG O6 2.900 2.600 3.200 2.877 2.735 2.951 . 0 0 "[ . 1]" 3
47 1 8 DG H21 1 26 DG N7 2.000 . 2.200 1.784 1.728 1.919 0.072 6 0 "[ . 1]" 3
48 1 8 DG N2 1 26 DG N7 2.900 2.600 3.200 2.788 2.735 2.922 . 0 0 "[ . 1]" 3
49 1 8 DG H1 1 26 DG O6 2.000 . 2.200 2.234 2.216 2.262 0.062 6 0 "[ . 1]" 3
50 1 8 DG N1 1 26 DG O6 2.900 2.600 3.200 3.171 3.107 3.214 0.014 7 0 "[ . 1]" 3
51 1 26 DG H21 1 30 DG N7 2.000 . 2.200 2.013 1.818 2.156 . 0 0 "[ . 1]" 3
52 1 26 DG N2 1 30 DG N7 2.900 2.600 3.200 2.984 2.781 3.114 . 0 0 "[ . 1]" 3
53 1 26 DG H1 1 30 DG O6 2.000 . 2.200 2.215 2.196 2.227 0.027 10 0 "[ . 1]" 3
54 1 26 DG N1 1 30 DG O6 2.900 2.600 3.200 2.990 2.947 3.043 . 0 0 "[ . 1]" 3
55 1 4 DG N7 1 30 DG H21 2.000 . 2.200 1.814 1.771 1.876 0.029 5 0 "[ . 1]" 3
56 1 4 DG N7 1 30 DG N2 2.900 2.600 3.200 2.819 2.769 2.885 . 0 0 "[ . 1]" 3
57 1 4 DG O6 1 30 DG H1 2.000 . 2.200 2.222 2.203 2.240 0.040 5 0 "[ . 1]" 3
58 1 4 DG O6 1 30 DG N1 2.900 2.600 3.200 3.151 3.113 3.194 . 0 0 "[ . 1]" 3
59 1 5 DG H21 1 9 DG N7 2.000 . 2.200 1.984 1.862 2.206 0.006 6 0 "[ . 1]" 3
60 1 5 DG N2 1 9 DG N7 2.900 2.600 3.200 2.977 2.848 3.213 0.013 6 0 "[ . 1]" 3
61 1 5 DG H1 1 9 DG O6 2.000 . 2.200 2.079 1.846 2.218 0.018 2 0 "[ . 1]" 3
62 1 5 DG N1 1 9 DG O6 2.900 2.600 3.200 2.912 2.706 3.110 . 0 0 "[ . 1]" 3
63 1 9 DG H21 1 27 DG N7 2.000 . 2.200 1.777 1.734 1.817 0.066 2 0 "[ . 1]" 3
64 1 9 DG N2 1 27 DG N7 2.900 2.600 3.200 2.778 2.704 2.825 . 0 0 "[ . 1]" 3
65 1 9 DG H1 1 27 DG O6 2.000 . 2.200 2.234 2.209 2.265 0.065 2 0 "[ . 1]" 3
66 1 9 DG N1 1 27 DG O6 2.900 2.600 3.200 3.132 3.082 3.178 . 0 0 "[ . 1]" 3
67 1 27 DG H21 1 31 DG N7 2.000 . 2.200 1.780 1.752 1.798 0.048 9 0 "[ . 1]" 3
68 1 27 DG N2 1 31 DG N7 2.900 2.600 3.200 2.762 2.729 2.795 . 0 0 "[ . 1]" 3
69 1 27 DG H1 1 31 DG O6 2.000 . 2.200 2.164 2.092 2.225 0.025 9 0 "[ . 1]" 3
70 1 27 DG N1 1 31 DG O6 2.900 2.600 3.200 2.978 2.875 3.056 . 0 0 "[ . 1]" 3
71 1 5 DG N7 1 31 DG H21 2.000 . 2.200 1.759 1.745 1.772 0.055 3 0 "[ . 1]" 3
72 1 5 DG N7 1 31 DG N2 2.900 2.600 3.200 2.746 2.725 2.780 . 0 0 "[ . 1]" 3
73 1 5 DG O6 1 31 DG H1 2.000 . 2.200 2.230 2.208 2.250 0.050 3 0 "[ . 1]" 3
74 1 5 DG O6 1 31 DG N1 2.900 2.600 3.200 3.082 3.005 3.173 . 0 0 "[ . 1]" 3
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