NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604101 |
2n4y   |
25686 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4y
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 575
_Distance_constraint_stats_list.Viol_count 565
_Distance_constraint_stats_list.Viol_total 422.183
_Distance_constraint_stats_list.Viol_max 0.757
_Distance_constraint_stats_list.Viol_rms 0.0431
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0747
_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 DC 2.135 0.688 5 1 "[ + 1]"
1 2 DT 1.577 0.135 6 0 "[ . 1]"
1 3 DG 0.500 0.059 8 0 "[ . 1]"
1 4 DG 0.860 0.077 6 0 "[ . 1]"
1 5 DG 4.323 0.516 6 1 "[ .+ 1]"
1 6 DC 2.400 0.757 10 1 "[ . +]"
1 7 DG 2.797 0.355 9 0 "[ . 1]"
1 8 DG 1.801 0.355 9 0 "[ . 1]"
1 9 DG 4.204 0.362 8 0 "[ . 1]"
1 10 DA 6.481 0.589 5 2 "[ - + 1]"
1 11 DC 2.296 0.566 3 1 "[ + . 1]"
1 12 DT 1.632 0.423 10 0 "[ . 1]"
1 13 DG 1.162 0.168 2 0 "[ . 1]"
1 14 DG 1.624 0.378 6 0 "[ . 1]"
1 15 DG 1.017 0.378 6 0 "[ . 1]"
1 16 DG 3.248 0.419 3 0 "[ . 1]"
1 17 DA 6.481 0.419 3 0 "[ . 1]"
1 18 DG 4.193 0.511 7 1 "[ . + 1]"
1 19 DT 2.385 0.331 8 0 "[ . 1]"
1 20 DG 0.671 0.092 8 0 "[ . 1]"
1 21 DG 0.514 0.056 9 0 "[ . 1]"
1 22 DT 0.330 0.057 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 DC H1' 1 1 DC H6 3.000 2.250 3.750 3.719 3.693 3.741 . 0 0 "[ . 1]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.400 . 3.000 2.351 2.257 2.471 . 0 0 "[ . 1]" 1
3 1 1 DC H2'' 1 1 DC H3' 3.200 . 4.600 2.825 2.656 2.933 . 0 0 "[ . 1]" 1
4 1 1 DC H2'' 1 1 DC H6 4.800 3.600 6.000 3.946 3.789 4.110 . 0 0 "[ . 1]" 1
5 1 1 DC H1' 1 1 DC H2' 3.000 2.250 3.750 3.024 3.007 3.032 . 0 0 "[ . 1]" 1
6 1 1 DC H2' 1 1 DC H2'' 2.400 . 3.000 1.792 1.789 1.794 0.011 10 0 "[ . 1]" 1
7 1 1 DC H2' 1 1 DC H3' 2.400 . 3.000 2.331 2.291 2.364 . 0 0 "[ . 1]" 1
8 1 1 DC H2' 1 1 DC Q5' 5.500 3.500 8.000 3.572 2.812 4.048 0.688 5 1 "[ + 1]" 1
9 1 1 DC H2' 1 1 DC H5 6.000 4.500 7.500 4.566 4.488 4.735 0.012 9 0 "[ . 1]" 1
10 1 1 DC H2' 1 1 DC H6 3.200 . 4.600 2.555 2.362 2.774 . 0 0 "[ . 1]" 1
11 1 1 DC H1' 1 1 DC H3' 4.800 3.600 6.000 3.826 3.778 3.897 . 0 0 "[ . 1]" 1
12 1 1 DC H3' 1 1 DC H6 3.800 2.850 4.750 4.147 3.868 4.405 . 0 0 "[ . 1]" 1
13 1 1 DC H1' 1 1 DC H4' 3.800 2.850 4.750 3.003 2.906 3.116 . 0 0 "[ . 1]" 1
14 1 1 DC H3' 1 1 DC H4' 3.000 2.250 3.750 2.859 2.804 2.920 . 0 0 "[ . 1]" 1
15 1 1 DC H4' 1 1 DC H6 4.800 3.600 6.000 4.482 4.350 4.579 . 0 0 "[ . 1]" 1
16 1 1 DC H1' 1 1 DC Q5' 4.800 3.600 6.500 4.173 4.024 4.265 . 0 0 "[ . 1]" 1
17 1 1 DC H3' 1 1 DC Q5' 3.000 2.250 4.250 2.495 2.392 2.623 . 0 0 "[ . 1]" 1
18 1 1 DC H5 1 1 DC Q5' 6.000 4.500 8.000 5.568 4.946 5.858 . 0 0 "[ . 1]" 1
19 1 1 DC Q5' 1 1 DC H6 3.000 2.250 4.250 3.521 2.839 3.835 . 0 0 "[ . 1]" 1
20 1 1 DC H5 1 1 DC H6 2.400 . 3.000 2.452 2.449 2.455 . 0 0 "[ . 1]" 1
21 1 1 DC H1' 1 2 DT H6 3.800 2.850 4.750 4.359 4.030 4.737 . 0 0 "[ . 1]" 1
22 1 1 DC H3' 1 2 DT H6 4.800 3.600 6.000 5.481 5.175 5.893 . 0 0 "[ . 1]" 1
23 1 1 DC H4' 1 2 DT H6 6.000 4.500 7.500 4.527 4.472 4.841 0.028 7 0 "[ . 1]" 1
24 1 1 DC H1' 1 2 DT C7 3.000 2.250 3.750 3.396 2.906 3.793 0.043 7 0 "[ . 1]" 1
25 1 1 DC H2'' 1 2 DT C7 4.800 3.600 6.500 3.993 3.636 4.755 . 0 0 "[ . 1]" 1
26 1 1 DC H4' 1 2 DT C7 3.800 2.850 5.250 5.250 5.166 5.317 0.067 3 0 "[ . 1]" 1
27 1 1 DC H6 1 2 DT C7 6.000 4.500 7.500 6.965 6.419 7.342 . 0 0 "[ . 1]" 1
28 1 2 DT C7 1 2 DT H2' 4.800 3.600 6.500 4.676 4.624 4.722 . 0 0 "[ . 1]" 1
29 1 2 DT C7 1 2 DT H6 2.400 . 3.500 2.667 2.656 2.679 . 0 0 "[ . 1]" 1
30 1 2 DT H1' 1 2 DT H6 3.000 2.250 3.750 3.693 3.687 3.703 . 0 0 "[ . 1]" 1
31 1 2 DT H1' 1 2 DT H2'' 2.400 . 3.000 1.893 1.820 2.007 . 0 0 "[ . 1]" 1
32 1 2 DT H2'' 1 2 DT H3' 3.200 . 4.600 3.105 3.036 3.157 . 0 0 "[ . 1]" 1
33 1 2 DT H2'' 1 2 DT H4' 3.800 2.850 4.750 4.042 3.961 4.080 . 0 0 "[ . 1]" 1
34 1 2 DT H2'' 1 2 DT H6 3.000 2.250 3.750 3.596 3.474 3.739 . 0 0 "[ . 1]" 1
35 1 2 DT H1' 1 2 DT H2' 3.000 2.250 3.750 3.004 2.996 3.017 . 0 0 "[ . 1]" 1
36 1 2 DT H2' 1 2 DT H2'' 2.400 . 3.000 1.795 1.791 1.797 0.009 10 0 "[ . 1]" 1
37 1 2 DT H2' 1 2 DT H3' 3.200 . 4.600 2.325 2.311 2.339 . 0 0 "[ . 1]" 1
38 1 2 DT H2' 1 2 DT H4' 4.800 3.600 6.000 3.880 3.861 3.903 . 0 0 "[ . 1]" 1
39 1 2 DT H2' 1 2 DT H6 2.400 . 3.000 2.385 2.260 2.487 . 0 0 "[ . 1]" 1
40 1 2 DT H1' 1 2 DT H3' 3.800 2.850 4.750 3.916 3.887 3.941 . 0 0 "[ . 1]" 1
41 1 2 DT H3' 1 2 DT H6 3.000 2.250 3.750 3.854 3.836 3.885 0.135 6 0 "[ . 1]" 1
42 1 2 DT H1' 1 2 DT H4' 3.800 2.850 4.750 3.416 3.260 3.482 . 0 0 "[ . 1]" 1
43 1 2 DT H4' 1 2 DT H6 4.800 3.600 6.000 4.200 4.101 4.297 . 0 0 "[ . 1]" 1
44 1 2 DT H4' 1 2 DT H5'' 2.400 . 3.500 2.388 2.362 2.422 . 0 0 "[ . 1]" 1
45 1 2 DT H5'' 1 2 DT H6 3.800 2.850 4.750 3.950 3.778 4.256 . 0 0 "[ . 1]" 1
46 1 2 DT H4' 1 2 DT H5' 2.400 . 3.500 2.503 2.485 2.516 . 0 0 "[ . 1]" 1
47 1 2 DT H5' 1 2 DT H6 3.800 2.850 4.750 3.144 2.939 3.389 . 0 0 "[ . 1]" 1
48 1 2 DT H3' 1 2 DT Q5' 3.200 . 5.100 2.550 2.484 2.597 . 0 0 "[ . 1]" 1
49 1 2 DT H1' 1 3 DG H8 4.800 3.600 6.000 3.989 3.838 4.212 . 0 0 "[ . 1]" 1
50 1 2 DT H2'' 1 3 DG H8 4.800 3.600 6.000 5.649 5.442 5.783 . 0 0 "[ . 1]" 1
51 1 2 DT H2' 1 3 DG H8 6.000 4.500 7.500 6.095 5.949 6.340 . 0 0 "[ . 1]" 1
52 1 2 DT H3' 1 3 DG H8 6.000 4.500 7.500 5.811 5.536 6.427 . 0 0 "[ . 1]" 1
53 1 2 DT H4' 1 3 DG H3' 3.800 2.850 4.750 4.453 4.334 4.544 . 0 0 "[ . 1]" 1
54 1 2 DT H4' 1 3 DG H4' 3.000 2.250 3.750 3.642 3.481 3.762 0.012 1 0 "[ . 1]" 1
55 1 2 DT H4' 1 3 DG H8 3.800 2.850 4.750 3.241 2.834 4.087 0.016 6 0 "[ . 1]" 1
56 1 2 DT H6 1 3 DG H8 5.500 3.500 7.500 5.747 5.621 5.880 . 0 0 "[ . 1]" 1
57 1 2 DT C7 1 18 DG H1' 6.000 4.500 8.000 7.277 6.425 8.011 0.011 6 0 "[ . 1]" 1
58 1 2 DT H1' 1 3 DG Q5' 6.000 4.500 8.000 4.704 4.520 4.822 . 0 0 "[ . 1]" 1
59 1 3 DG H1' 1 3 DG H8 3.800 2.850 4.750 3.849 3.804 3.880 . 0 0 "[ . 1]" 1
60 1 3 DG H1' 1 3 DG H2'' 3.200 . 4.600 2.363 2.224 2.471 . 0 0 "[ . 1]" 1
61 1 3 DG H2'' 1 3 DG H3' 2.400 . 3.000 2.740 2.606 2.911 . 0 0 "[ . 1]" 1
62 1 3 DG H2'' 1 3 DG H4' 4.800 3.600 6.000 4.046 4.001 4.088 . 0 0 "[ . 1]" 1
63 1 3 DG H2'' 1 3 DG H8 3.000 2.250 3.750 3.430 3.146 3.627 . 0 0 "[ . 1]" 1
64 1 3 DG H1' 1 3 DG H2' 3.200 . 4.600 3.017 3.008 3.022 . 0 0 "[ . 1]" 1
65 1 3 DG H2' 1 3 DG H2'' 2.400 . 3.000 1.794 1.787 1.798 0.013 6 0 "[ . 1]" 1
66 1 3 DG H2' 1 3 DG H3' 2.400 . 3.000 2.344 2.327 2.358 . 0 0 "[ . 1]" 1
67 1 3 DG H2' 1 3 DG H4' 4.800 3.600 6.000 3.841 3.820 3.861 . 0 0 "[ . 1]" 1
68 1 3 DG H2' 1 3 DG H8 2.400 . 3.000 2.027 1.938 2.117 . 0 0 "[ . 1]" 1
69 1 3 DG H1' 1 3 DG H3' 3.800 2.850 4.750 3.875 3.850 3.912 . 0 0 "[ . 1]" 1
70 1 3 DG H3' 1 3 DG H8 3.800 2.850 4.750 4.182 4.099 4.248 . 0 0 "[ . 1]" 1
71 1 3 DG H1' 1 3 DG H4' 3.800 2.850 4.750 3.362 3.262 3.446 . 0 0 "[ . 1]" 1
72 1 3 DG H3' 1 3 DG H4' 3.000 2.250 3.750 2.767 2.747 2.802 . 0 0 "[ . 1]" 1
73 1 3 DG H4' 1 3 DG H8 6.000 4.500 7.500 5.065 4.971 5.220 . 0 0 "[ . 1]" 1
74 1 3 DG H3' 1 3 DG Q5' 3.200 . 5.100 2.321 2.304 2.347 . 0 0 "[ . 1]" 1
75 1 3 DG H4' 1 3 DG Q5' 2.400 . 3.500 2.185 2.184 2.188 . 0 0 "[ . 1]" 1
76 1 3 DG Q5' 1 3 DG H8 4.800 3.600 6.500 4.177 3.979 4.521 . 0 0 "[ . 1]" 1
77 1 3 DG H1' 1 4 DG H8 3.800 2.850 4.750 3.265 3.048 3.581 . 0 0 "[ . 1]" 1
78 1 3 DG H2'' 1 4 DG H8 3.800 2.850 4.750 2.979 2.905 3.157 . 0 0 "[ . 1]" 1
79 1 3 DG H2' 1 4 DG H8 3.800 2.850 4.750 4.117 3.899 4.292 . 0 0 "[ . 1]" 1
80 1 3 DG H8 1 4 DG H8 5.500 3.500 7.500 4.548 4.223 4.901 . 0 0 "[ . 1]" 1
81 1 3 DG H1' 1 4 DG H4' 3.800 2.850 4.750 4.330 3.949 4.595 . 0 0 "[ . 1]" 1
82 1 4 DG H1' 1 4 DG H8 4.800 3.600 6.000 3.912 3.889 3.918 . 0 0 "[ . 1]" 1
83 1 4 DG H1' 1 4 DG H2'' 2.400 . 3.000 2.445 2.378 2.590 . 0 0 "[ . 1]" 1
84 1 4 DG H2'' 1 4 DG H3' 3.200 . 4.600 2.698 2.406 2.802 . 0 0 "[ . 1]" 1
85 1 4 DG H2'' 1 4 DG H4' 3.800 2.850 4.750 3.970 3.833 4.010 . 0 0 "[ . 1]" 1
86 1 4 DG H2'' 1 4 DG H8 3.000 2.250 3.750 3.743 3.700 3.775 0.025 1 0 "[ . 1]" 1
87 1 4 DG H1' 1 4 DG H2' 3.000 2.250 3.750 3.032 3.028 3.035 . 0 0 "[ . 1]" 1
88 1 4 DG H2' 1 4 DG H2'' 2.400 . 3.000 1.792 1.790 1.794 0.010 8 0 "[ . 1]" 1
89 1 4 DG H2' 1 4 DG H3' 3.200 . 4.600 2.355 2.348 2.367 . 0 0 "[ . 1]" 1
90 1 4 DG H2' 1 4 DG H4' 3.800 2.850 4.750 3.822 3.807 3.834 . 0 0 "[ . 1]" 1
91 1 4 DG H2' 1 4 DG H8 3.200 . 4.600 2.355 2.205 2.433 . 0 0 "[ . 1]" 1
92 1 4 DG H1' 1 4 DG H3' 3.800 2.850 4.750 3.768 3.751 3.789 . 0 0 "[ . 1]" 1
93 1 4 DG H3' 1 4 DG H8 3.800 2.850 4.750 4.460 4.404 4.518 . 0 0 "[ . 1]" 1
94 1 4 DG H1' 1 4 DG H4' 3.800 2.850 4.750 3.003 2.903 3.046 . 0 0 "[ . 1]" 1
95 1 4 DG H3' 1 4 DG H4' 3.000 2.250 3.750 2.833 2.819 2.858 . 0 0 "[ . 1]" 1
96 1 4 DG H4' 1 4 DG H8 6.000 4.500 7.500 5.035 4.994 5.136 . 0 0 "[ . 1]" 1
97 1 4 DG H4' 1 4 DG H5' 2.400 . 3.500 2.458 2.429 2.473 . 0 0 "[ . 1]" 1
98 1 4 DG H1' 1 4 DG Q5' 4.800 3.600 6.500 4.219 4.189 4.239 . 0 0 "[ . 1]" 1
99 1 4 DG H3' 1 4 DG Q5' 3.000 2.250 4.250 2.485 2.448 2.502 . 0 0 "[ . 1]" 1
100 1 4 DG Q5' 1 4 DG H8 4.800 3.600 6.500 4.346 4.251 4.520 . 0 0 "[ . 1]" 1
101 1 4 DG H1' 1 5 DG H8 3.800 2.850 4.750 3.491 2.925 3.685 . 0 0 "[ . 1]" 1
102 1 4 DG H2'' 1 5 DG H8 3.800 2.850 4.750 2.796 2.773 2.819 0.077 6 0 "[ . 1]" 1
103 1 4 DG H2' 1 5 DG H8 3.200 . 4.600 4.205 4.015 4.382 . 0 0 "[ . 1]" 1
104 1 5 DG H1' 1 5 DG H8 3.800 2.850 4.750 3.912 3.905 3.916 . 0 0 "[ . 1]" 1
105 1 5 DG H1' 1 5 DG H2'' 3.000 2.250 3.750 2.440 2.414 2.475 . 0 0 "[ . 1]" 1
106 1 5 DG H2'' 1 5 DG H3' 3.200 . 4.600 2.698 2.650 2.725 . 0 0 "[ . 1]" 1
107 1 5 DG H2'' 1 5 DG H4' 4.800 3.600 6.000 4.007 3.961 4.064 . 0 0 "[ . 1]" 1
108 1 5 DG H2'' 1 5 DG H8 3.200 . 4.600 3.888 3.718 4.051 . 0 0 "[ . 1]" 1
109 1 5 DG H1' 1 5 DG H2' 3.800 2.850 4.750 3.031 3.029 3.035 . 0 0 "[ . 1]" 1
110 1 5 DG H2' 1 5 DG H2'' 2.400 . 3.000 1.793 1.792 1.795 0.008 4 0 "[ . 1]" 1
111 1 5 DG H2' 1 5 DG H3' 2.400 . 3.000 2.358 2.346 2.376 . 0 0 "[ . 1]" 1
112 1 5 DG H2' 1 5 DG H4' 4.800 3.600 6.000 3.822 3.791 3.845 . 0 0 "[ . 1]" 1
113 1 5 DG H2' 1 5 DG H8 3.200 . 4.600 2.471 2.312 2.685 . 0 0 "[ . 1]" 1
114 1 5 DG H1' 1 5 DG H3' 3.800 2.850 4.750 3.782 3.746 3.818 . 0 0 "[ . 1]" 1
115 1 5 DG H3' 1 5 DG H8 3.800 2.850 4.750 4.486 4.396 4.651 . 0 0 "[ . 1]" 1
116 1 5 DG H1' 1 5 DG H4' 3.800 2.850 4.750 3.096 2.999 3.151 . 0 0 "[ . 1]" 1
117 1 5 DG H3' 1 5 DG H4' 3.200 . 4.600 2.813 2.792 2.837 . 0 0 "[ . 1]" 1
118 1 5 DG H4' 1 5 DG H8 6.000 4.500 7.500 4.921 4.822 5.022 . 0 0 "[ . 1]" 1
119 1 5 DG H1' 1 5 DG Q5' 4.800 3.600 6.500 4.259 4.227 4.279 . 0 0 "[ . 1]" 1
120 1 5 DG H3' 1 5 DG Q5' 3.200 . 5.100 2.412 2.361 2.457 . 0 0 "[ . 1]" 1
121 1 5 DG H4' 1 5 DG Q5' 2.400 . 3.500 2.186 2.181 2.189 . 0 0 "[ . 1]" 1
122 1 5 DG Q5' 1 5 DG H8 6.000 4.500 7.700 4.151 3.984 4.257 0.516 6 1 "[ .+ 1]" 1
123 1 5 DG H5'' 1 6 DC H2' 5.500 3.500 7.500 4.393 3.515 5.909 . 0 0 "[ . 1]" 1
124 1 5 DG H5' 1 6 DC H2' 5.500 4.000 7.000 4.767 3.950 6.437 0.050 9 0 "[ . 1]" 1
125 1 6 DC H1' 1 6 DC H6 3.000 2.250 3.750 3.695 3.394 3.737 . 0 0 "[ . 1]" 1
126 1 6 DC H1' 1 6 DC H2'' 2.400 . 3.000 2.332 2.177 2.436 . 0 0 "[ . 1]" 1
127 1 6 DC H2'' 1 6 DC H3' 2.400 . 3.000 2.820 2.680 3.001 0.001 7 0 "[ . 1]" 1
128 1 6 DC H2'' 1 6 DC H4' 3.800 2.850 4.750 4.018 3.780 4.104 . 0 0 "[ . 1]" 1
129 1 6 DC H2'' 1 6 DC H6 3.000 2.250 3.750 3.618 2.580 3.763 0.013 6 0 "[ . 1]" 1
130 1 6 DC H1' 1 6 DC H2' 2.400 . 3.000 3.023 3.013 3.031 0.031 10 0 "[ . 1]" 1
131 1 6 DC H2' 1 6 DC H2'' 2.400 . 3.000 1.792 1.789 1.794 0.011 9 0 "[ . 1]" 1
132 1 6 DC H2' 1 6 DC H3' 2.400 . 3.000 2.352 2.294 2.387 . 0 0 "[ . 1]" 1
133 1 6 DC H2' 1 6 DC H4' 3.800 2.850 4.750 3.832 3.777 3.896 . 0 0 "[ . 1]" 1
134 1 6 DC H2' 1 6 DC H6 2.400 . 3.000 2.275 1.821 2.454 . 0 0 "[ . 1]" 1
135 1 6 DC H1' 1 6 DC H3' 3.200 . 4.600 3.809 3.746 3.873 . 0 0 "[ . 1]" 1
136 1 6 DC H3' 1 6 DC H6 3.800 2.850 4.750 4.155 3.961 4.333 . 0 0 "[ . 1]" 1
137 1 6 DC H1' 1 6 DC H4' 3.800 2.850 4.750 3.141 2.912 3.381 . 0 0 "[ . 1]" 1
138 1 6 DC H3' 1 6 DC H4' 3.200 . 4.600 2.810 2.756 2.910 . 0 0 "[ . 1]" 1
139 1 6 DC H4' 1 6 DC H6 4.800 3.600 6.000 4.574 4.441 5.266 . 0 0 "[ . 1]" 1
140 1 6 DC H4' 1 6 DC H5'' 2.400 . 3.500 2.539 2.395 3.038 . 0 0 "[ . 1]" 1
141 1 6 DC H4' 1 6 DC H5' 2.400 . 3.500 2.532 2.378 3.030 . 0 0 "[ . 1]" 1
142 1 6 DC Q5' 1 6 DC H6 4.800 3.600 6.500 3.539 2.843 4.658 0.757 10 1 "[ . +]" 1
143 1 6 DC H5 1 6 DC H6 2.400 . 3.000 2.449 2.438 2.453 . 0 0 "[ . 1]" 1
144 1 6 DC H4' 1 7 DG H3' 3.800 2.850 4.750 3.711 2.842 4.774 0.024 10 0 "[ . 1]" 1
145 1 7 DG H1' 1 7 DG H2'' 2.400 . 3.000 2.379 2.335 2.433 . 0 0 "[ . 1]" 1
146 1 7 DG H2'' 1 7 DG H3' 3.000 2.250 3.750 2.770 2.698 2.869 . 0 0 "[ . 1]" 1
147 1 7 DG H2'' 1 7 DG H4' 3.800 2.850 4.750 3.945 3.757 4.052 . 0 0 "[ . 1]" 1
148 1 7 DG H2'' 1 7 DG H8 3.800 2.850 4.750 4.366 4.104 4.566 . 0 0 "[ . 1]" 1
149 1 7 DG H1' 1 7 DG H2' 3.000 2.250 3.750 3.022 3.015 3.027 . 0 0 "[ . 1]" 1
150 1 7 DG H2' 1 7 DG H2'' 2.400 . 3.000 1.792 1.790 1.794 0.010 4 0 "[ . 1]" 1
151 1 7 DG H2' 1 7 DG H3' 2.400 . 3.000 2.334 2.296 2.352 . 0 0 "[ . 1]" 1
152 1 7 DG H2' 1 7 DG H4' 3.800 2.850 4.750 3.860 3.839 3.897 . 0 0 "[ . 1]" 1
153 1 7 DG H2' 1 7 DG H8 3.000 2.250 3.750 3.039 2.685 3.326 . 0 0 "[ . 1]" 1
154 1 7 DG H1' 1 7 DG H3' 3.800 2.850 4.750 3.836 3.816 3.867 . 0 0 "[ . 1]" 1
155 1 7 DG H3' 1 7 DG H8 3.800 2.850 4.750 4.623 4.375 4.805 0.055 10 0 "[ . 1]" 1
156 1 7 DG H1' 1 7 DG H4' 3.800 2.850 4.750 3.082 2.820 3.306 0.030 7 0 "[ . 1]" 1
157 1 7 DG H3' 1 7 DG H4' 3.200 . 4.600 2.844 2.787 2.925 . 0 0 "[ . 1]" 1
158 1 7 DG H4' 1 7 DG H8 4.800 3.600 6.000 4.640 4.579 4.729 . 0 0 "[ . 1]" 1
159 1 7 DG H3' 1 7 DG H5'' 3.800 2.850 4.750 3.075 2.672 3.637 0.178 5 0 "[ . 1]" 1
160 1 7 DG H4' 1 7 DG H5'' 2.400 . 3.500 2.448 2.401 2.551 . 0 0 "[ . 1]" 1
161 1 7 DG H5'' 1 7 DG H8 4.800 3.600 6.000 4.411 3.690 5.118 . 0 0 "[ . 1]" 1
162 1 7 DG H3' 1 7 DG H5' 3.000 2.250 3.750 3.203 2.429 3.703 . 0 0 "[ . 1]" 1
163 1 7 DG H4' 1 7 DG H5' 2.400 . 3.500 2.725 2.503 3.039 . 0 0 "[ . 1]" 1
164 1 7 DG H5' 1 7 DG H8 4.800 3.600 6.000 3.653 3.565 4.104 0.035 1 0 "[ . 1]" 1
165 1 7 DG H1' 1 7 DG Q5' 4.800 3.600 6.500 4.159 4.023 4.274 . 0 0 "[ . 1]" 1
166 1 7 DG H1' 1 8 DG H8 4.800 3.600 6.000 4.330 4.106 4.592 . 0 0 "[ . 1]" 1
167 1 7 DG H2'' 1 8 DG Q5' 5.500 3.500 8.000 3.349 3.145 3.456 0.355 9 0 "[ . 1]" 1
168 1 7 DG H2'' 1 8 DG H8 3.000 2.250 3.750 2.416 2.301 2.696 . 0 0 "[ . 1]" 1
169 1 7 DG H2' 1 8 DG Q5' 5.500 3.500 8.000 4.897 4.720 5.006 . 0 0 "[ . 1]" 1
170 1 7 DG H2' 1 8 DG H8 3.000 2.250 3.750 2.847 2.235 3.249 0.015 6 0 "[ . 1]" 1
171 1 7 DG H3' 1 8 DG H8 3.800 2.850 4.750 4.493 3.962 4.738 . 0 0 "[ . 1]" 1
172 1 8 DG H1' 1 8 DG H8 3.800 2.850 4.750 3.898 3.851 3.918 . 0 0 "[ . 1]" 1
173 1 8 DG H1' 1 8 DG H2'' 3.200 . 4.600 2.377 2.321 2.446 . 0 0 "[ . 1]" 1
174 1 8 DG H2'' 1 8 DG H3' 3.200 . 4.600 2.807 2.725 2.869 . 0 0 "[ . 1]" 1
175 1 8 DG H2'' 1 8 DG H4' 4.800 3.600 6.000 3.968 3.915 4.042 . 0 0 "[ . 1]" 1
176 1 8 DG H2'' 1 8 DG H8 3.800 2.850 4.750 3.540 3.254 3.748 . 0 0 "[ . 1]" 1
177 1 8 DG H1' 1 8 DG H2' 3.200 . 4.600 3.031 3.027 3.036 . 0 0 "[ . 1]" 1
178 1 8 DG H2' 1 8 DG H3' 3.200 . 4.600 2.349 2.332 2.385 . 0 0 "[ . 1]" 1
179 1 8 DG H2' 1 8 DG H4' 4.800 3.600 6.000 3.836 3.790 3.862 . 0 0 "[ . 1]" 1
180 1 8 DG H2' 1 8 DG H8 3.000 2.250 3.750 2.275 2.203 2.354 0.047 10 0 "[ . 1]" 1
181 1 8 DG H1' 1 8 DG H3' 3.800 2.850 4.750 3.775 3.689 3.822 . 0 0 "[ . 1]" 1
182 1 8 DG H3' 1 8 DG H8 3.800 2.850 4.750 4.421 4.326 4.593 . 0 0 "[ . 1]" 1
183 1 8 DG H1' 1 8 DG H4' 3.800 2.850 4.750 2.958 2.914 3.046 . 0 0 "[ . 1]" 1
184 1 8 DG H3' 1 8 DG H4' 3.000 2.250 3.750 2.848 2.830 2.865 . 0 0 "[ . 1]" 1
185 1 8 DG H4' 1 8 DG H8 4.800 3.600 6.000 5.153 5.035 5.357 . 0 0 "[ . 1]" 1
186 1 8 DG H3' 1 8 DG Q5' 3.200 . 5.100 2.552 2.515 2.585 . 0 0 "[ . 1]" 1
187 1 8 DG H4' 1 8 DG Q5' 2.400 . 3.500 2.186 2.184 2.188 . 0 0 "[ . 1]" 1
188 1 8 DG Q5' 1 8 DG H8 4.800 3.600 6.500 4.544 4.307 4.874 . 0 0 "[ . 1]" 1
189 1 8 DG H1' 1 9 DG H8 3.000 2.250 3.750 3.184 2.233 3.808 0.058 2 0 "[ . 1]" 1
190 1 8 DG H2'' 1 9 DG H8 3.200 . 4.600 2.349 1.932 2.663 . 0 0 "[ . 1]" 1
191 1 8 DG H2' 1 9 DG H8 3.200 . 4.600 4.000 3.644 4.252 . 0 0 "[ . 1]" 1
192 1 8 DG H3' 1 9 DG H8 4.800 3.600 6.000 4.743 4.155 5.125 . 0 0 "[ . 1]" 1
193 1 8 DG H8 1 9 DG H8 5.500 3.500 7.500 5.321 5.045 5.682 . 0 0 "[ . 1]" 1
194 1 8 DG H4' 1 10 DA H2 5.500 3.500 7.500 5.028 3.470 6.980 0.030 10 0 "[ . 1]" 1
195 1 8 DG H1' 1 9 DG Q5' 4.800 3.600 6.500 4.058 3.834 4.293 . 0 0 "[ . 1]" 1
196 1 9 DG H1' 1 9 DG H8 3.800 2.850 4.750 3.912 3.891 3.920 . 0 0 "[ . 1]" 1
197 1 9 DG H1' 1 9 DG H2'' 3.200 . 4.600 2.390 2.322 2.457 . 0 0 "[ . 1]" 1
198 1 9 DG H2'' 1 9 DG H3' 3.200 . 4.600 2.766 2.681 2.847 . 0 0 "[ . 1]" 1
199 1 9 DG H2'' 1 9 DG H8 3.200 . 4.600 3.879 3.544 4.127 . 0 0 "[ . 1]" 1
200 1 9 DG H1' 1 9 DG H2' 3.200 . 4.600 3.026 2.995 3.034 . 0 0 "[ . 1]" 1
201 1 9 DG H2' 1 9 DG H3' 3.200 . 4.600 2.349 2.277 2.386 . 0 0 "[ . 1]" 1
202 1 9 DG H2' 1 9 DG H8 3.200 . 4.600 2.495 2.195 2.800 . 0 0 "[ . 1]" 1
203 1 9 DG Q2' 1 9 DG H4' 3.800 2.850 4.750 3.473 3.420 3.507 . 0 0 "[ . 1]" 1
204 1 9 DG Q2' 1 9 DG Q5' 5.500 3.500 8.000 3.493 3.276 3.773 0.224 4 0 "[ . 1]" 1
205 1 9 DG H1' 1 9 DG H3' 3.000 2.250 3.750 3.785 3.740 3.884 0.134 5 0 "[ . 1]" 1
206 1 9 DG H3' 1 9 DG H8 3.800 2.850 4.750 4.458 3.968 4.700 . 0 0 "[ . 1]" 1
207 1 9 DG H1' 1 9 DG H4' 3.800 2.850 4.750 3.053 2.794 3.267 0.056 8 0 "[ . 1]" 1
208 1 9 DG H3' 1 9 DG H4' 3.200 . 4.600 2.827 2.765 2.904 . 0 0 "[ . 1]" 1
209 1 9 DG H4' 1 9 DG H8 6.000 4.500 7.500 4.937 4.844 5.037 . 0 0 "[ . 1]" 1
210 1 9 DG H5'' 1 9 DG H8 6.000 4.500 7.500 4.997 4.731 5.429 . 0 0 "[ . 1]" 1
211 1 9 DG H5' 1 9 DG H8 6.000 4.500 7.500 4.520 4.452 4.597 0.048 9 0 "[ . 1]" 1
212 1 9 DG H1' 1 9 DG Q5' 6.000 4.500 8.000 4.235 4.138 4.297 0.362 8 0 "[ . 1]" 1
213 1 9 DG H4' 1 9 DG Q5' 2.400 . 3.500 2.183 2.169 2.191 . 0 0 "[ . 1]" 1
214 1 9 DG Q2' 1 10 DA H8 6.000 4.500 8.000 6.573 5.890 7.205 . 0 0 "[ . 1]" 1
215 1 9 DG H3' 1 10 DA H8 6.000 4.500 7.500 6.275 5.179 7.523 0.023 1 0 "[ . 1]" 1
216 1 9 DG H4' 1 10 DA H8 4.800 3.600 6.000 3.946 3.582 4.835 0.018 10 0 "[ . 1]" 1
217 1 9 DG H5'' 1 10 DA H8 5.500 3.500 7.500 5.140 4.140 6.702 . 0 0 "[ . 1]" 1
218 1 9 DG H5' 1 10 DA H8 5.500 3.500 7.500 4.593 3.570 5.389 . 0 0 "[ . 1]" 1
219 1 10 DA H1' 1 10 DA H2 5.500 3.500 7.500 4.674 4.448 4.933 . 0 0 "[ . 1]" 1
220 1 10 DA H1' 1 10 DA H8 3.000 2.250 3.750 3.765 3.617 3.889 0.139 5 0 "[ . 1]" 1
221 1 10 DA H1' 1 10 DA H2'' 2.400 . 3.000 2.307 1.883 2.447 . 0 0 "[ . 1]" 1
222 1 10 DA H2'' 1 10 DA H3' 3.200 . 4.600 2.834 2.649 3.169 . 0 0 "[ . 1]" 1
223 1 10 DA H2'' 1 10 DA H4' 5.500 3.500 7.500 3.939 3.761 4.088 . 0 0 "[ . 1]" 1
224 1 10 DA H2'' 1 10 DA Q5' 5.500 3.500 8.000 4.323 4.113 4.681 . 0 0 "[ . 1]" 1
225 1 10 DA H2'' 1 10 DA H8 3.000 2.250 3.750 3.142 2.715 3.671 . 0 0 "[ . 1]" 1
226 1 10 DA H1' 1 10 DA H2' 3.000 2.250 3.750 3.025 3.023 3.032 . 0 0 "[ . 1]" 1
227 1 10 DA H2' 1 10 DA H2'' 2.400 . 3.000 1.794 1.791 1.798 0.009 1 0 "[ . 1]" 1
228 1 10 DA H2' 1 10 DA H3' 3.200 . 4.600 2.340 2.300 2.369 . 0 0 "[ . 1]" 1
229 1 10 DA H2' 1 10 DA H4' 5.500 3.500 7.500 3.843 3.807 3.883 . 0 0 "[ . 1]" 1
230 1 10 DA H2' 1 10 DA Q5' 5.500 3.500 8.000 3.338 2.911 3.976 0.589 5 2 "[ - + 1]" 1
231 1 10 DA H2' 1 10 DA H8 2.400 . 3.000 2.150 2.009 2.590 . 0 0 "[ . 1]" 1
232 1 10 DA H1' 1 10 DA H3' 3.800 2.850 4.750 3.805 3.730 3.851 . 0 0 "[ . 1]" 1
233 1 10 DA H3' 1 10 DA H8 3.200 . 4.600 4.404 4.281 4.538 . 0 0 "[ . 1]" 1
234 1 10 DA H1' 1 10 DA H4' 3.800 2.850 4.750 3.020 2.778 3.374 0.072 9 0 "[ . 1]" 1
235 1 10 DA H3' 1 10 DA H4' 3.200 . 4.600 2.844 2.745 2.915 . 0 0 "[ . 1]" 1
236 1 10 DA H4' 1 10 DA H8 4.800 3.600 6.000 5.322 4.847 5.530 . 0 0 "[ . 1]" 1
237 1 10 DA H1' 1 10 DA Q5' 6.000 4.500 8.000 4.185 4.089 4.323 0.411 9 0 "[ . 1]" 1
238 1 10 DA H3' 1 10 DA Q5' 3.200 . 5.100 2.381 2.256 2.735 . 0 0 "[ . 1]" 1
239 1 10 DA Q5' 1 10 DA H8 4.800 3.600 6.500 4.498 3.403 5.188 0.197 5 0 "[ . 1]" 1
240 1 10 DA H1' 1 11 DC H6 5.500 3.500 7.500 5.431 3.482 7.536 0.036 4 0 "[ . 1]" 1
241 1 10 DA H2'' 1 11 DC H6 6.000 4.500 7.500 5.457 4.673 6.308 . 0 0 "[ . 1]" 1
242 1 10 DA H2' 1 11 DC H6 6.000 4.500 7.500 6.303 5.426 7.497 . 0 0 "[ . 1]" 1
243 1 10 DA H3' 1 11 DC H6 6.000 4.500 7.500 5.739 4.681 6.698 . 0 0 "[ . 1]" 1
244 1 10 DA H1' 1 11 DC H2'' 5.500 3.500 7.500 5.960 3.519 7.446 . 0 0 "[ . 1]" 1
245 1 11 DC H1' 1 11 DC H6 3.000 2.250 3.750 3.708 3.575 3.745 . 0 0 "[ . 1]" 1
246 1 11 DC H1' 1 11 DC H2'' 2.400 . 3.000 2.355 2.035 2.618 . 0 0 "[ . 1]" 1
247 1 11 DC H2'' 1 11 DC H3' 3.200 . 4.600 2.779 2.382 3.113 . 0 0 "[ . 1]" 1
248 1 11 DC H2'' 1 11 DC H4' 3.800 2.850 4.750 3.858 3.476 4.098 . 0 0 "[ . 1]" 1
249 1 11 DC H2'' 1 11 DC H6 3.800 2.850 4.750 3.809 2.935 4.224 . 0 0 "[ . 1]" 1
250 1 11 DC H1' 1 11 DC H2' 3.000 2.250 3.750 3.019 2.966 3.034 . 0 0 "[ . 1]" 1
251 1 11 DC H2' 1 11 DC H2'' 2.400 . 3.000 1.793 1.789 1.796 0.011 8 0 "[ . 1]" 1
252 1 11 DC H2' 1 11 DC H3' 3.200 . 4.600 2.328 2.277 2.370 . 0 0 "[ . 1]" 1
253 1 11 DC H2' 1 11 DC H4' 4.800 3.600 6.000 3.857 3.822 3.909 . 0 0 "[ . 1]" 1
254 1 11 DC H2' 1 11 DC H6 2.400 . 3.000 2.432 1.826 2.930 . 0 0 "[ . 1]" 1
255 1 11 DC H1' 1 11 DC H3' 3.800 2.850 4.750 3.825 3.758 3.932 . 0 0 "[ . 1]" 1
256 1 11 DC H3' 1 11 DC H6 3.800 2.850 4.750 4.062 3.387 4.292 . 0 0 "[ . 1]" 1
257 1 11 DC H1' 1 11 DC H4' 3.800 2.850 4.750 2.998 2.805 3.315 0.045 9 0 "[ . 1]" 1
258 1 11 DC H3' 1 11 DC H4' 3.800 2.850 4.750 2.866 2.776 2.986 0.074 7 0 "[ . 1]" 1
259 1 11 DC H4' 1 11 DC H6 6.000 4.500 7.500 4.569 4.443 5.190 0.057 4 0 "[ . 1]" 1
260 1 11 DC H3' 1 11 DC Q5' 3.000 2.250 4.250 2.427 2.236 2.581 0.014 9 0 "[ . 1]" 1
261 1 11 DC H4' 1 11 DC Q5' 2.400 . 3.500 2.237 2.171 2.368 . 0 0 "[ . 1]" 1
262 1 11 DC Q5' 1 11 DC H6 4.800 3.600 6.500 3.676 3.034 5.009 0.566 3 1 "[ + . 1]" 1
263 1 11 DC H5 1 11 DC H6 2.400 . 3.000 2.448 2.440 2.452 . 0 0 "[ . 1]" 1
264 1 11 DC H1' 1 12 DT H6 5.500 3.500 7.500 6.164 4.558 7.090 . 0 0 "[ . 1]" 1
265 1 11 DC H3' 1 12 DT H6 3.800 2.850 4.750 3.970 3.350 4.780 0.030 2 0 "[ . 1]" 1
266 1 11 DC H4' 1 12 DT H6 4.800 3.600 6.000 4.913 3.839 5.969 . 0 0 "[ . 1]" 1
267 1 11 DC H1' 1 12 DT C7 5.500 3.500 8.000 6.738 5.443 7.960 . 0 0 "[ . 1]" 1
268 1 11 DC H2'' 1 12 DT C7 6.000 4.500 7.500 6.373 4.423 7.516 0.077 8 0 "[ . 1]" 1
269 1 11 DC H3' 1 12 DT C7 4.800 3.600 6.500 5.074 3.782 6.289 . 0 0 "[ . 1]" 1
270 1 11 DC H4' 1 12 DT C7 4.800 3.600 6.500 5.378 3.677 6.480 . 0 0 "[ . 1]" 1
271 1 12 DT C7 1 12 DT H6 2.400 . 3.500 2.667 2.661 2.672 . 0 0 "[ . 1]" 1
272 1 12 DT H1' 1 12 DT H6 3.000 2.250 3.750 3.715 3.705 3.723 . 0 0 "[ . 1]" 1
273 1 12 DT H1' 1 12 DT H2'' 2.400 . 3.000 2.317 2.242 2.370 . 0 0 "[ . 1]" 1
274 1 12 DT H2'' 1 12 DT H3' 3.200 . 4.600 2.806 2.741 2.866 . 0 0 "[ . 1]" 1
275 1 12 DT H2'' 1 12 DT H4' 4.800 3.600 6.000 4.001 3.848 4.096 . 0 0 "[ . 1]" 1
276 1 12 DT H2'' 1 12 DT Q5' 4.800 3.600 6.500 4.462 4.195 4.595 . 0 0 "[ . 1]" 1
277 1 12 DT H2'' 1 12 DT H6 3.000 2.250 3.750 3.605 3.424 3.731 . 0 0 "[ . 1]" 1
278 1 12 DT H1' 1 12 DT H2' 3.800 2.850 4.750 3.011 3.004 3.018 . 0 0 "[ . 1]" 1
279 1 12 DT H2' 1 12 DT H2'' 2.400 . 3.000 1.791 1.790 1.792 0.010 9 0 "[ . 1]" 1
280 1 12 DT H2' 1 12 DT H3' 3.200 . 4.600 2.324 2.303 2.342 . 0 0 "[ . 1]" 1
281 1 12 DT H2' 1 12 DT H4' 4.800 3.600 6.000 3.874 3.852 3.899 . 0 0 "[ . 1]" 1
282 1 12 DT H2' 1 12 DT Q5' 4.800 3.600 6.500 3.562 3.177 3.889 0.423 10 0 "[ . 1]" 1
283 1 12 DT H2' 1 12 DT H6 2.400 . 3.000 2.082 1.896 2.231 . 0 0 "[ . 1]" 1
284 1 12 DT H1' 1 12 DT H3' 3.200 . 4.600 3.890 3.856 3.920 . 0 0 "[ . 1]" 1
285 1 12 DT H3' 1 12 DT H6 3.000 2.250 3.750 3.813 3.785 3.850 0.100 4 0 "[ . 1]" 1
286 1 12 DT H1' 1 12 DT H4' 3.800 2.850 4.750 3.290 3.008 3.499 . 0 0 "[ . 1]" 1
287 1 12 DT H4' 1 12 DT H6 4.800 3.600 6.000 4.489 4.266 4.641 . 0 0 "[ . 1]" 1
288 1 12 DT H1' 1 12 DT Q5' 4.800 3.600 6.500 4.292 4.190 4.328 . 0 0 "[ . 1]" 1
289 1 12 DT H3' 1 12 DT Q5' 3.200 . 5.100 2.419 2.254 2.547 . 0 0 "[ . 1]" 1
290 1 12 DT H4' 1 12 DT Q5' 2.400 . 3.500 2.201 2.180 2.337 . 0 0 "[ . 1]" 1
291 1 12 DT Q5' 1 12 DT H6 3.000 2.250 4.250 3.503 3.094 3.838 . 0 0 "[ . 1]" 1
292 1 10 DA H8 1 13 DG H8 5.500 3.500 7.500 6.167 3.568 7.525 0.025 1 0 "[ . 1]" 1
293 1 13 DG H1' 1 13 DG Q5' 5.500 3.500 8.000 4.211 3.954 4.328 . 0 0 "[ . 1]" 1
294 1 13 DG H4' 1 13 DG H8 5.500 3.500 7.500 5.304 4.743 5.644 . 0 0 "[ . 1]" 1
295 1 13 DG H3' 1 13 DG Q5' 3.200 . 5.100 2.450 2.273 2.778 . 0 0 "[ . 1]" 1
296 1 13 DG H1' 1 13 DG H8 3.000 2.250 3.750 3.708 3.436 3.886 0.136 3 0 "[ . 1]" 1
297 1 13 DG H1' 1 13 DG H2'' 2.400 . 3.000 2.376 2.107 2.486 . 0 0 "[ . 1]" 1
298 1 13 DG H2'' 1 13 DG H3' 3.200 . 4.600 2.741 2.622 3.010 . 0 0 "[ . 1]" 1
299 1 13 DG H2'' 1 13 DG H4' 4.800 3.600 6.000 4.022 3.775 4.121 . 0 0 "[ . 1]" 1
300 1 13 DG H2'' 1 13 DG H8 3.000 2.250 3.750 3.194 2.726 3.750 0.000 3 0 "[ . 1]" 1
301 1 13 DG H1' 1 13 DG H2' 3.800 2.850 4.750 3.019 2.989 3.034 . 0 0 "[ . 1]" 1
302 1 13 DG H2' 1 13 DG H2'' 2.400 . 3.000 1.792 1.788 1.795 0.012 2 0 "[ . 1]" 1
303 1 13 DG H2' 1 13 DG H3' 3.200 . 4.600 2.354 2.307 2.381 . 0 0 "[ . 1]" 1
304 1 13 DG H2' 1 13 DG H4' 4.800 3.600 6.000 3.825 3.771 3.890 . 0 0 "[ . 1]" 1
305 1 13 DG H2' 1 13 DG H8 3.000 2.250 3.750 2.271 2.082 2.537 0.168 2 0 "[ . 1]" 1
306 1 13 DG H1' 1 13 DG H3' 3.800 2.850 4.750 3.831 3.750 3.942 . 0 0 "[ . 1]" 1
307 1 13 DG H3' 1 13 DG H8 3.800 2.850 4.750 4.484 4.139 4.749 . 0 0 "[ . 1]" 1
308 1 13 DG H1' 1 13 DG H4' 3.800 2.850 4.750 3.247 2.843 3.571 0.007 9 0 "[ . 1]" 1
309 1 13 DG H3' 1 13 DG H4' 3.200 . 4.600 2.784 2.717 2.919 . 0 0 "[ . 1]" 1
310 1 13 DG H4' 1 13 DG Q5' 2.400 . 3.500 2.227 2.184 2.361 . 0 0 "[ . 1]" 1
311 1 14 DG H1' 1 14 DG H8 3.800 2.850 4.750 3.901 3.879 3.915 . 0 0 "[ . 1]" 1
312 1 14 DG H1' 1 14 DG H2'' 2.400 . 3.000 2.308 2.213 2.350 . 0 0 "[ . 1]" 1
313 1 14 DG H2'' 1 14 DG H3' 3.200 . 4.600 2.807 2.754 2.882 . 0 0 "[ . 1]" 1
314 1 14 DG H2'' 1 14 DG H4' 4.800 3.600 6.000 4.051 3.791 4.113 . 0 0 "[ . 1]" 1
315 1 14 DG H2'' 1 14 DG H8 3.800 2.850 4.750 3.811 3.541 4.083 . 0 0 "[ . 1]" 1
316 1 14 DG H1' 1 14 DG H2' 3.000 2.250 3.750 3.011 3.003 3.023 . 0 0 "[ . 1]" 1
317 1 14 DG H2' 1 14 DG H2'' 2.400 . 3.000 1.791 1.789 1.792 0.011 6 0 "[ . 1]" 1
318 1 14 DG H2' 1 14 DG H3' 3.200 . 4.600 2.344 2.312 2.357 . 0 0 "[ . 1]" 1
319 1 14 DG H2' 1 14 DG H4' 4.800 3.600 6.000 3.861 3.841 3.881 . 0 0 "[ . 1]" 1
320 1 14 DG H2' 1 14 DG H8 2.400 . 3.000 2.345 2.114 2.694 . 0 0 "[ . 1]" 1
321 1 14 DG H1' 1 14 DG H3' 3.800 2.850 4.750 3.896 3.841 3.932 . 0 0 "[ . 1]" 1
322 1 14 DG H3' 1 14 DG H8 3.800 2.850 4.750 4.207 4.046 4.311 . 0 0 "[ . 1]" 1
323 1 14 DG H1' 1 14 DG H4' 3.800 2.850 4.750 3.370 2.821 3.534 0.029 10 0 "[ . 1]" 1
324 1 14 DG H3' 1 14 DG H4' 3.800 2.850 4.750 2.783 2.746 2.915 0.104 7 0 "[ . 1]" 1
325 1 14 DG H5' 1 14 DG H8 3.200 . 5.100 3.386 2.195 4.576 . 0 0 "[ . 1]" 1
326 1 14 DG H3' 1 14 DG Q5' 3.000 2.250 4.250 2.527 2.362 2.770 . 0 0 "[ . 1]" 1
327 1 14 DG H4' 1 14 DG Q5' 2.400 . 3.500 2.276 2.188 2.402 . 0 0 "[ . 1]" 1
328 1 14 DG H1' 1 15 DG H8 3.800 2.850 4.750 3.405 3.055 3.647 . 0 0 "[ . 1]" 1
329 1 14 DG H2'' 1 15 DG H8 2.400 . 3.000 2.480 2.157 2.825 . 0 0 "[ . 1]" 1
330 1 14 DG H2' 1 15 DG H8 3.800 2.850 4.750 3.516 2.918 4.014 . 0 0 "[ . 1]" 1
331 1 14 DG H1' 1 15 DG Q5' 3.800 2.850 5.250 2.916 2.472 3.137 0.378 6 0 "[ . 1]" 1
332 1 14 DG H8 1 15 DG Q5' 6.000 4.500 8.000 6.338 5.911 6.579 . 0 0 "[ . 1]" 1
333 1 14 DG H8 1 15 DG H8 5.500 3.500 7.500 4.665 4.320 4.932 . 0 0 "[ . 1]" 1
334 1 15 DG H1' 1 15 DG H8 4.800 3.600 6.000 3.914 3.906 3.917 . 0 0 "[ . 1]" 1
335 1 15 DG H1' 1 15 DG H2'' 3.000 2.250 3.750 2.354 2.287 2.410 . 0 0 "[ . 1]" 1
336 1 15 DG H2'' 1 15 DG H3' 3.200 . 4.600 2.843 2.754 2.921 . 0 0 "[ . 1]" 1
337 1 15 DG H2'' 1 15 DG H4' 4.800 3.600 6.000 3.779 3.687 3.895 . 0 0 "[ . 1]" 1
338 1 15 DG H2'' 1 15 DG H8 3.800 2.850 4.750 4.041 3.901 4.169 . 0 0 "[ . 1]" 1
339 1 15 DG H1' 1 15 DG H2' 3.000 2.250 3.750 3.019 3.008 3.027 . 0 0 "[ . 1]" 1
340 1 15 DG H2' 1 15 DG H2'' 2.400 . 3.000 1.791 1.790 1.792 0.010 7 0 "[ . 1]" 1
341 1 15 DG H2' 1 15 DG H3' 3.200 . 4.600 2.306 2.292 2.319 . 0 0 "[ . 1]" 1
342 1 15 DG H2' 1 15 DG H4' 4.800 3.600 6.000 3.886 3.871 3.900 . 0 0 "[ . 1]" 1
343 1 15 DG H2' 1 15 DG H8 3.000 2.250 3.750 2.598 2.454 2.741 . 0 0 "[ . 1]" 1
344 1 15 DG H1' 1 15 DG H3' 3.800 2.850 4.750 3.853 3.821 3.885 . 0 0 "[ . 1]" 1
345 1 15 DG H3' 1 15 DG H8 3.800 2.850 4.750 4.241 4.134 4.396 . 0 0 "[ . 1]" 1
346 1 15 DG H1' 1 15 DG H4' 3.800 2.850 4.750 2.863 2.817 3.055 0.033 6 0 "[ . 1]" 1
347 1 15 DG H3' 1 15 DG H4' 3.800 2.850 4.750 2.911 2.857 2.938 . 0 0 "[ . 1]" 1
348 1 15 DG H4' 1 15 DG H8 6.000 4.500 7.500 4.897 4.830 4.957 . 0 0 "[ . 1]" 1
349 1 15 DG H1' 1 15 DG Q5' 4.800 3.600 6.500 4.179 4.152 4.243 . 0 0 "[ . 1]" 1
350 1 15 DG H3' 1 15 DG Q5' 3.000 2.250 4.250 2.573 2.504 2.652 . 0 0 "[ . 1]" 1
351 1 15 DG H4' 1 15 DG Q5' 2.400 . 3.500 2.187 2.184 2.189 . 0 0 "[ . 1]" 1
352 1 15 DG Q5' 1 15 DG H8 4.800 3.600 6.500 4.303 4.028 4.400 . 0 0 "[ . 1]" 1
353 1 15 DG H1' 1 16 DG H8 3.800 2.850 4.750 3.497 3.167 4.000 . 0 0 "[ . 1]" 1
354 1 15 DG H2'' 1 16 DG H8 3.200 . 4.600 2.063 1.905 2.292 . 0 0 "[ . 1]" 1
355 1 15 DG H2' 1 16 DG H8 3.000 2.250 3.750 3.046 2.715 3.252 . 0 0 "[ . 1]" 1
356 1 15 DG H3' 1 16 DG H8 3.800 2.850 4.750 4.731 4.524 4.782 0.032 6 0 "[ . 1]" 1
357 1 16 DG H1' 1 16 DG H8 3.800 2.850 4.750 3.907 3.872 3.921 . 0 0 "[ . 1]" 1
358 1 16 DG H1' 1 16 DG H2'' 3.000 2.250 3.750 2.395 2.320 2.468 . 0 0 "[ . 1]" 1
359 1 16 DG H2'' 1 16 DG H3' 3.200 . 4.600 2.772 2.668 2.878 . 0 0 "[ . 1]" 1
360 1 16 DG H2'' 1 16 DG H8 3.800 2.850 4.750 4.048 3.894 4.263 . 0 0 "[ . 1]" 1
361 1 16 DG H1' 1 16 DG H2' 3.800 2.850 4.750 3.025 3.015 3.034 . 0 0 "[ . 1]" 1
362 1 16 DG H2' 1 16 DG H3' 3.200 . 4.600 2.331 2.288 2.372 . 0 0 "[ . 1]" 1
363 1 16 DG H2' 1 16 DG H8 3.200 . 4.600 2.631 2.399 2.888 . 0 0 "[ . 1]" 1
364 1 16 DG H1' 1 16 DG H3' 3.800 2.850 4.750 3.816 3.747 3.886 . 0 0 "[ . 1]" 1
365 1 16 DG H3' 1 16 DG H8 3.800 2.850 4.750 4.412 4.027 4.683 . 0 0 "[ . 1]" 1
366 1 16 DG H1' 1 16 DG H4' 3.800 2.850 4.750 2.996 2.883 3.141 . 0 0 "[ . 1]" 1
367 1 16 DG H3' 1 16 DG H4' 3.200 . 4.600 2.859 2.796 2.921 . 0 0 "[ . 1]" 1
368 1 16 DG H4' 1 16 DG Q5' 2.400 . 3.500 2.187 2.182 2.192 . 0 0 "[ . 1]" 1
369 1 16 DG Q5' 1 16 DG H8 4.800 3.600 6.500 4.148 3.958 4.354 . 0 0 "[ . 1]" 1
370 1 16 DG H4' 1 17 DA H3' 3.000 2.250 3.750 2.534 2.211 3.617 0.039 5 0 "[ . 1]" 1
371 1 16 DG H4' 1 17 DA H8 4.800 3.600 6.000 5.308 4.597 5.833 . 0 0 "[ . 1]" 1
372 1 16 DG Q5' 1 17 DA H3' 4.800 3.600 6.500 3.364 3.181 4.377 0.419 3 0 "[ . 1]" 1
373 1 16 DG Q5' 1 17 DA H8 4.800 3.600 6.500 5.503 5.259 5.782 . 0 0 "[ . 1]" 1
374 1 17 DA H1' 1 17 DA H2 4.800 3.600 6.000 4.536 4.449 5.144 . 0 0 "[ . 1]" 1
375 1 17 DA H1' 1 17 DA H8 3.800 2.850 4.750 3.858 3.451 3.919 . 0 0 "[ . 1]" 1
376 1 17 DA H1' 1 17 DA H2'' 2.400 . 3.000 2.235 2.110 2.352 . 0 0 "[ . 1]" 1
377 1 17 DA H2'' 1 17 DA H3' 2.400 . 3.000 2.931 2.772 3.065 0.065 5 0 "[ . 1]" 1
378 1 17 DA H2'' 1 17 DA H4' 3.800 2.850 4.750 3.913 3.494 4.090 . 0 0 "[ . 1]" 1
379 1 17 DA H2'' 1 17 DA H8 3.000 2.250 3.750 3.623 2.568 3.828 0.078 5 0 "[ . 1]" 1
380 1 17 DA H1' 1 17 DA H2' 3.000 2.250 3.750 3.019 2.996 3.037 . 0 0 "[ . 1]" 1
381 1 17 DA H2' 1 17 DA H2'' 2.400 . 3.000 1.794 1.786 1.808 0.014 5 0 "[ . 1]" 1
382 1 17 DA H2' 1 17 DA H3' 2.400 . 3.000 2.331 2.270 2.360 . 0 0 "[ . 1]" 1
383 1 17 DA H2' 1 17 DA H4' 3.800 2.850 4.750 3.842 3.817 3.866 . 0 0 "[ . 1]" 1
384 1 17 DA H2' 1 17 DA H8 2.400 . 3.000 2.432 2.203 2.717 . 0 0 "[ . 1]" 1
385 1 17 DA H1' 1 17 DA H3' 3.800 2.850 4.750 3.823 3.742 3.931 . 0 0 "[ . 1]" 1
386 1 17 DA H3' 1 17 DA H8 3.800 2.850 4.750 4.320 3.861 4.801 0.051 7 0 "[ . 1]" 1
387 1 17 DA H1' 1 17 DA H4' 3.200 . 4.600 3.014 2.615 3.513 . 0 0 "[ . 1]" 1
388 1 17 DA H3' 1 17 DA H4' 3.800 2.850 4.750 2.851 2.750 2.980 0.100 9 0 "[ . 1]" 1
389 1 17 DA H4' 1 17 DA H8 4.800 3.600 6.000 4.969 4.760 5.594 . 0 0 "[ . 1]" 1
390 1 17 DA Q5' 1 17 DA H8 4.800 3.600 6.500 4.165 3.341 5.831 0.259 10 0 "[ . 1]" 1
391 1 17 DA H4' 1 18 DG H3' 3.800 2.850 4.750 3.559 2.765 4.694 0.085 9 0 "[ . 1]" 1
392 1 17 DA H1' 1 19 DT H6 5.500 3.500 7.500 5.344 3.450 6.136 0.050 5 0 "[ . 1]" 1
393 1 17 DA H4' 1 19 DT H4' 4.800 3.600 6.500 3.777 3.529 4.693 0.071 3 0 "[ . 1]" 1
394 1 17 DA H4' 1 19 DT H1' 4.800 3.600 6.000 4.944 3.558 6.044 0.044 1 0 "[ . 1]" 1
395 1 17 DA H4' 1 19 DT H3' 5.500 3.500 7.500 5.622 4.420 6.312 . 0 0 "[ . 1]" 1
396 1 17 DA H4' 1 19 DT H6 6.000 4.500 7.500 6.514 4.662 7.512 0.012 9 0 "[ . 1]" 1
397 1 17 DA H1' 1 18 DG H3' 6.000 4.500 7.500 4.716 4.430 5.927 0.070 5 0 "[ . 1]" 1
398 1 18 DG H1' 1 18 DG H8 3.800 2.850 4.750 3.858 3.778 3.899 . 0 0 "[ . 1]" 1
399 1 18 DG H1' 1 18 DG H2'' 3.000 2.250 3.750 2.358 2.193 2.537 0.057 8 0 "[ . 1]" 1
400 1 18 DG H2'' 1 18 DG H3' 3.200 . 4.600 2.729 2.500 2.876 . 0 0 "[ . 1]" 1
401 1 18 DG H2'' 1 18 DG H8 3.800 2.850 4.750 4.422 4.249 4.743 . 0 0 "[ . 1]" 1
402 1 18 DG H1' 1 18 DG H2' 3.800 2.850 4.750 3.007 2.977 3.032 . 0 0 "[ . 1]" 1
403 1 18 DG H2' 1 18 DG H2'' 2.400 . 3.000 1.793 1.789 1.795 0.011 8 0 "[ . 1]" 1
404 1 18 DG H2' 1 18 DG H3' 3.200 . 4.600 2.347 2.303 2.392 . 0 0 "[ . 1]" 1
405 1 18 DG H2' 1 18 DG H8 3.000 2.250 3.750 3.087 2.881 3.502 . 0 0 "[ . 1]" 1
406 1 18 DG H1' 1 18 DG H3' 3.800 2.850 4.750 3.876 3.771 3.957 . 0 0 "[ . 1]" 1
407 1 18 DG H3' 1 18 DG H8 3.800 2.850 4.750 4.602 4.345 4.740 . 0 0 "[ . 1]" 1
408 1 18 DG H3' 1 18 DG H4' 3.200 . 4.600 2.749 2.672 2.853 . 0 0 "[ . 1]" 1
409 1 18 DG H3' 1 18 DG Q5' 3.800 2.850 5.250 2.578 2.339 2.923 0.511 7 1 "[ . + 1]" 1
410 1 18 DG H4' 1 18 DG Q5' 2.400 . 3.500 2.224 2.185 2.332 . 0 0 "[ . 1]" 1
411 1 18 DG H1' 1 20 DG H8 3.800 2.850 4.750 4.464 4.098 4.842 0.092 8 0 "[ . 1]" 1
412 1 18 DG H2'' 1 20 DG H8 3.000 2.250 3.750 2.630 2.330 3.179 . 0 0 "[ . 1]" 1
413 1 18 DG H2' 1 20 DG H8 3.800 2.850 4.750 2.860 2.786 3.052 0.064 5 0 "[ . 1]" 1
414 1 17 DA H2 1 19 DT C7 3.000 2.250 4.250 3.848 3.208 4.286 0.036 5 0 "[ . 1]" 1
415 1 17 DA H1' 1 19 DT H1' 4.800 3.600 6.000 4.714 3.404 5.579 0.196 8 0 "[ . 1]" 1
416 1 17 DA H8 1 19 DT H1' 5.500 3.500 7.500 5.828 4.680 7.537 0.037 5 0 "[ . 1]" 1
417 1 17 DA H1' 1 19 DT H4' 3.200 . 4.600 4.391 3.972 4.931 0.331 8 0 "[ . 1]" 1
418 1 17 DA H2 1 19 DT H6 4.800 3.600 6.000 4.112 3.562 4.589 0.038 7 0 "[ . 1]" 1
419 1 19 DT C7 1 19 DT H6 2.400 . 3.500 2.665 2.647 2.678 . 0 0 "[ . 1]" 1
420 1 19 DT H1' 1 19 DT H6 3.000 2.250 3.750 3.714 3.678 3.732 . 0 0 "[ . 1]" 1
421 1 19 DT H1' 1 19 DT H2'' 2.400 . 3.000 2.161 1.821 2.380 . 0 0 "[ . 1]" 1
422 1 19 DT H2'' 1 19 DT H3' 3.200 . 4.600 3.010 2.781 3.241 . 0 0 "[ . 1]" 1
423 1 19 DT H2'' 1 19 DT H6 3.000 2.250 3.750 3.589 3.314 3.750 . 0 0 "[ . 1]" 1
424 1 19 DT H1' 1 19 DT H2' 3.000 2.250 3.750 3.005 2.926 3.024 . 0 0 "[ . 1]" 1
425 1 19 DT H2' 1 19 DT H2'' 2.400 . 3.000 1.792 1.791 1.797 0.009 7 0 "[ . 1]" 1
426 1 19 DT H2' 1 19 DT H3' 3.200 . 4.600 2.302 2.280 2.344 . 0 0 "[ . 1]" 1
427 1 19 DT H2' 1 19 DT H6 2.400 . 3.000 2.189 1.783 2.518 0.017 5 0 "[ . 1]" 1
428 1 19 DT H1' 1 19 DT H3' 3.800 2.850 4.750 3.863 3.834 3.908 . 0 0 "[ . 1]" 1
429 1 19 DT H3' 1 19 DT H6 3.000 2.250 3.750 3.612 2.711 3.915 0.165 1 0 "[ . 1]" 1
430 1 19 DT H1' 1 19 DT H4' 3.200 . 4.600 2.822 2.362 3.372 . 0 0 "[ . 1]" 1
431 1 19 DT H3' 1 19 DT H4' 3.200 . 4.600 2.928 2.756 3.040 . 0 0 "[ . 1]" 1
432 1 19 DT H4' 1 19 DT H6 3.800 2.850 4.750 4.606 4.527 4.820 0.070 5 0 "[ . 1]" 1
433 1 19 DT H1' 1 19 DT Q5' 4.800 3.600 6.500 4.024 3.877 4.140 . 0 0 "[ . 1]" 1
434 1 19 DT H3' 1 19 DT Q5' 3.200 . 5.100 2.569 2.382 2.794 . 0 0 "[ . 1]" 1
435 1 19 DT H4' 1 19 DT Q5' 3.200 . 5.100 2.303 2.158 2.417 . 0 0 "[ . 1]" 1
436 1 19 DT Q5' 1 19 DT H6 3.800 2.850 5.250 3.552 2.598 4.159 0.252 6 0 "[ . 1]" 1
437 1 18 DG H1' 1 20 DG Q5' 4.800 3.600 6.500 4.819 3.957 5.596 . 0 0 "[ . 1]" 1
438 1 18 DG H8 1 20 DG H8 5.500 3.500 7.500 5.196 4.714 6.059 . 0 0 "[ . 1]" 1
439 1 20 DG H1' 1 20 DG H8 3.800 2.850 4.750 3.742 3.661 3.810 . 0 0 "[ . 1]" 1
440 1 20 DG H1' 1 20 DG H2'' 3.200 . 4.600 2.273 2.165 2.381 . 0 0 "[ . 1]" 1
441 1 20 DG H2'' 1 20 DG H3' 3.200 . 4.600 3.071 3.006 3.131 . 0 0 "[ . 1]" 1
442 1 20 DG H2'' 1 20 DG Q5' 5.500 3.500 8.000 4.315 4.248 4.407 . 0 0 "[ . 1]" 1
443 1 20 DG H2'' 1 20 DG H8 6.000 4.500 7.500 4.784 4.664 4.903 . 0 0 "[ . 1]" 1
444 1 20 DG H1' 1 20 DG H2' 3.200 . 4.600 2.750 2.702 2.927 . 0 0 "[ . 1]" 1
445 1 20 DG H2' 1 20 DG H2'' 2.400 . 3.000 1.791 1.785 1.793 0.015 10 0 "[ . 1]" 1
446 1 20 DG H2' 1 20 DG H3' 3.200 . 4.600 2.327 2.275 2.342 . 0 0 "[ . 1]" 1
447 1 20 DG H2' 1 20 DG Q5' 5.500 3.500 8.000 4.076 3.609 4.160 . 0 0 "[ . 1]" 1
448 1 20 DG H2' 1 20 DG H8 4.800 3.600 6.000 4.024 3.592 4.272 0.008 10 0 "[ . 1]" 1
449 1 20 DG H1' 1 20 DG H3' 3.800 2.850 4.750 3.880 3.844 3.997 . 0 0 "[ . 1]" 1
450 1 20 DG H3' 1 20 DG H8 3.800 2.850 4.750 3.335 2.902 4.090 . 0 0 "[ . 1]" 1
451 1 20 DG H1' 1 20 DG H4' 3.000 2.250 3.750 3.461 3.099 3.659 . 0 0 "[ . 1]" 1
452 1 20 DG H3' 1 20 DG H4' 3.200 . 4.600 3.003 2.937 3.021 . 0 0 "[ . 1]" 1
453 1 20 DG H4' 1 20 DG H8 4.800 3.600 6.000 4.203 4.061 4.452 . 0 0 "[ . 1]" 1
454 1 20 DG H1' 1 20 DG Q5' 3.800 2.850 5.250 4.099 4.028 4.225 . 0 0 "[ . 1]" 1
455 1 20 DG H4' 1 20 DG Q5' 3.200 . 5.100 2.386 2.339 2.453 . 0 0 "[ . 1]" 1
456 1 20 DG Q5' 1 20 DG H8 2.400 . 3.500 2.244 1.813 2.893 . 0 0 "[ . 1]" 1
457 1 20 DG H1' 1 21 DG H8 4.800 3.600 6.000 4.756 4.195 5.062 . 0 0 "[ . 1]" 1
458 1 20 DG H2'' 1 21 DG H8 3.000 2.250 3.750 3.450 2.378 3.775 0.025 9 0 "[ . 1]" 1
459 1 20 DG H2' 1 21 DG H8 3.200 . 4.600 2.124 1.880 2.377 . 0 0 "[ . 1]" 1
460 1 20 DG H3' 1 21 DG H8 3.800 2.850 4.750 3.079 2.794 3.632 0.056 9 0 "[ . 1]" 1
461 1 20 DG Q5' 1 21 DG H8 6.000 4.500 8.000 5.120 4.908 5.535 . 0 0 "[ . 1]" 1
462 1 21 DG H1' 1 21 DG H8 3.800 2.850 4.750 3.901 3.888 3.908 . 0 0 "[ . 1]" 1
463 1 21 DG H1' 1 21 DG H2'' 2.400 . 3.000 2.328 2.272 2.375 . 0 0 "[ . 1]" 1
464 1 21 DG H2'' 1 21 DG H3' 2.400 . 3.000 2.791 2.730 2.840 . 0 0 "[ . 1]" 1
465 1 21 DG H2'' 1 21 DG H4' 4.800 3.600 6.000 4.040 3.890 4.102 . 0 0 "[ . 1]" 1
466 1 21 DG H2'' 1 21 DG H8 3.800 2.850 4.750 4.078 3.971 4.270 . 0 0 "[ . 1]" 1
467 1 21 DG H1' 1 21 DG H2' 3.000 2.250 3.750 3.014 3.006 3.022 . 0 0 "[ . 1]" 1
468 1 21 DG H2' 1 21 DG H2'' 2.400 . 3.000 1.792 1.790 1.793 0.010 10 0 "[ . 1]" 1
469 1 21 DG H2' 1 21 DG H3' 2.400 . 3.000 2.342 2.307 2.362 . 0 0 "[ . 1]" 1
470 1 21 DG H2' 1 21 DG H4' 3.800 2.850 4.750 3.856 3.822 3.903 . 0 0 "[ . 1]" 1
471 1 21 DG H2' 1 21 DG H8 3.200 . 4.600 2.637 2.504 2.812 . 0 0 "[ . 1]" 1
472 1 21 DG H1' 1 21 DG H3' 3.800 2.850 4.750 3.883 3.845 3.918 . 0 0 "[ . 1]" 1
473 1 21 DG H3' 1 21 DG H8 3.800 2.850 4.750 4.330 4.217 4.476 . 0 0 "[ . 1]" 1
474 1 21 DG H1' 1 21 DG H4' 3.800 2.850 4.750 3.343 3.123 3.427 . 0 0 "[ . 1]" 1
475 1 21 DG H3' 1 21 DG H4' 3.000 2.250 3.750 2.776 2.748 2.855 . 0 0 "[ . 1]" 1
476 1 21 DG H4' 1 21 DG H8 6.000 4.500 7.500 4.630 4.576 4.750 . 0 0 "[ . 1]" 1
477 1 21 DG H1' 1 22 DT H5'' 3.800 2.850 4.750 4.292 3.930 4.578 . 0 0 "[ . 1]" 1
478 1 21 DG H1' 1 22 DT H5' 3.800 2.850 4.750 3.050 2.815 4.403 0.035 1 0 "[ . 1]" 1
479 1 21 DG H1' 1 22 DT H6 3.800 2.850 4.750 3.649 3.266 4.388 . 0 0 "[ . 1]" 1
480 1 21 DG H2'' 1 22 DT H6 2.400 . 3.000 2.138 1.916 2.642 . 0 0 "[ . 1]" 1
481 1 21 DG H2' 1 22 DT H6 3.800 2.850 4.750 3.088 2.856 3.537 . 0 0 "[ . 1]" 1
482 1 21 DG H3' 1 22 DT H6 3.800 2.850 4.750 4.683 4.612 4.758 0.008 8 0 "[ . 1]" 1
483 1 21 DG H8 1 22 DT H6 5.500 3.500 7.500 4.880 4.584 5.460 . 0 0 "[ . 1]" 1
484 1 21 DG H1' 1 22 DT C7 4.800 3.600 6.500 4.927 4.401 5.508 . 0 0 "[ . 1]" 1
485 1 21 DG H2'' 1 22 DT C7 3.800 2.850 5.250 3.612 3.049 4.331 . 0 0 "[ . 1]" 1
486 1 21 DG H2' 1 22 DT C7 3.800 2.850 5.250 3.057 2.979 3.266 . 0 0 "[ . 1]" 1
487 1 21 DG H3' 1 22 DT C7 3.800 2.850 5.250 5.190 5.130 5.295 0.045 5 0 "[ . 1]" 1
488 1 21 DG H8 1 22 DT C7 3.800 2.850 5.250 3.778 3.545 4.187 . 0 0 "[ . 1]" 1
489 1 21 DG H1' 1 22 DT H4' 6.000 4.500 7.500 4.575 4.485 4.785 0.015 9 0 "[ . 1]" 1
490 1 22 DT C7 1 22 DT H2'' 5.500 3.500 8.000 5.949 5.617 6.473 . 0 0 "[ . 1]" 1
491 1 22 DT C7 1 22 DT H2' 5.500 3.500 8.000 4.648 4.436 4.978 . 0 0 "[ . 1]" 1
492 1 22 DT C7 1 22 DT H6 2.400 . 3.500 2.662 2.647 2.667 . 0 0 "[ . 1]" 1
493 1 22 DT H1' 1 22 DT H5'' 5.500 3.500 7.500 4.857 4.592 4.958 . 0 0 "[ . 1]" 1
494 1 22 DT H1' 1 22 DT H5' 5.500 3.500 7.500 4.561 4.445 4.877 . 0 0 "[ . 1]" 1
495 1 22 DT H1' 1 22 DT H6 3.000 2.250 3.750 3.724 3.707 3.738 . 0 0 "[ . 1]" 1
496 1 22 DT H1' 1 22 DT H2'' 3.200 . 4.600 2.315 2.217 2.419 . 0 0 "[ . 1]" 1
497 1 22 DT H2'' 1 22 DT H3' 3.200 . 4.600 2.895 2.729 3.049 . 0 0 "[ . 1]" 1
498 1 22 DT H2'' 1 22 DT H6 3.200 . 4.600 3.718 3.362 4.222 . 0 0 "[ . 1]" 1
499 1 22 DT H1' 1 22 DT H2' 3.200 . 4.600 2.998 2.905 3.033 . 0 0 "[ . 1]" 1
500 1 22 DT H2' 1 22 DT H3' 3.200 . 4.600 2.295 2.262 2.342 . 0 0 "[ . 1]" 1
501 1 22 DT H2' 1 22 DT H6 3.200 . 4.600 2.299 1.909 2.947 . 0 0 "[ . 1]" 1
502 1 22 DT Q2' 1 22 DT H4' 3.200 . 4.600 3.305 2.921 3.486 . 0 0 "[ . 1]" 1
503 1 22 DT H1' 1 22 DT H3' 3.800 2.850 4.750 3.833 3.777 3.889 . 0 0 "[ . 1]" 1
504 1 22 DT H3' 1 22 DT H6 3.800 2.850 4.750 3.666 2.875 4.140 . 0 0 "[ . 1]" 1
505 1 22 DT H1' 1 22 DT H4' 3.000 2.250 3.750 2.864 2.681 3.148 . 0 0 "[ . 1]" 1
506 1 22 DT H3' 1 22 DT H4' 3.200 . 4.600 2.922 2.795 3.027 . 0 0 "[ . 1]" 1
507 1 22 DT H4' 1 22 DT H6 4.800 3.600 6.000 4.632 4.356 4.862 . 0 0 "[ . 1]" 1
508 1 22 DT H5'' 1 22 DT H6 4.800 3.600 6.000 4.793 3.543 5.246 0.057 5 0 "[ . 1]" 1
509 1 22 DT H5' 1 22 DT H6 4.800 3.600 6.000 4.529 4.007 5.037 . 0 0 "[ . 1]" 1
510 1 1 DC H1' 1 3 DG H1 5.000 3.600 6.400 3.896 3.628 4.232 . 0 0 "[ . 1]" 1
511 1 1 DC H2'' 1 3 DG H1 5.000 3.600 6.400 6.072 5.860 6.391 . 0 0 "[ . 1]" 1
512 1 1 DC H2' 1 3 DG H1 5.000 3.600 6.400 6.117 5.782 6.459 0.059 8 0 "[ . 1]" 1
513 1 1 DC H4' 1 3 DG H1 5.000 3.600 6.400 3.648 3.549 4.013 0.051 8 0 "[ . 1]" 1
514 1 1 DC Q5' 1 3 DG H1 5.000 3.600 6.400 4.165 3.882 4.560 . 0 0 "[ . 1]" 1
515 1 1 DC H6 1 3 DG H1 6.000 4.200 7.800 5.414 4.594 6.146 . 0 0 "[ . 1]" 1
516 1 1 DC H1' 1 7 DG H1 5.000 3.600 6.400 4.850 4.318 5.389 . 0 0 "[ . 1]" 1
517 1 1 DC H5 1 7 DG H1 6.000 4.200 7.800 4.958 4.322 6.063 . 0 0 "[ . 1]" 1
518 1 1 DC H6 1 7 DG H1 6.000 4.200 7.800 5.216 4.560 6.303 . 0 0 "[ . 1]" 1
519 1 1 DC H1' 1 18 DG H1 5.000 3.600 6.400 5.311 4.681 6.308 . 0 0 "[ . 1]" 1
520 1 2 DT C7 1 3 DG H1 5.000 3.600 6.400 5.942 5.384 6.447 0.047 2 0 "[ . 1]" 1
521 1 2 DT C7 1 14 DG H1 5.000 3.600 6.400 5.504 4.673 6.098 . 0 0 "[ . 1]" 1
522 1 2 DT C7 1 18 DG H1 4.200 3.000 5.900 4.629 4.058 4.939 . 0 0 "[ . 1]" 1
523 1 2 DT H1' 1 18 DG H1 5.000 3.600 6.400 5.629 5.195 5.994 . 0 0 "[ . 1]" 1
524 1 2 DT H2'' 1 18 DG H1 5.800 3.800 7.800 6.917 6.453 7.185 . 0 0 "[ . 1]" 1
525 1 2 DT H2' 1 18 DG H1 6.000 4.200 7.800 6.771 6.597 6.958 . 0 0 "[ . 1]" 1
526 1 2 DT H6 1 18 DG H1 5.000 3.600 6.400 4.904 4.558 5.096 . 0 0 "[ . 1]" 1
527 1 3 DG H1 1 4 DG H1 4.200 3.000 5.400 3.500 3.114 3.907 . 0 0 "[ . 1]" 1
528 1 3 DG H1 1 7 DG H1 5.000 3.600 6.400 4.308 4.135 4.704 . 0 0 "[ . 1]" 1
529 1 3 DG H1 1 18 DG H1 6.000 4.200 7.800 4.210 4.163 4.276 0.037 10 0 "[ . 1]" 1
530 1 3 DG H8 1 18 DG H1 5.000 3.600 6.400 5.402 5.142 5.529 . 0 0 "[ . 1]" 1
531 1 3 DG H8 1 20 DG H1 6.000 4.200 7.800 5.598 5.474 5.781 . 0 0 "[ . 1]" 1
532 1 3 DG H1 1 4 DG H1' 6.000 4.200 8.300 6.072 5.639 6.773 . 0 0 "[ . 1]" 1
533 1 4 DG H1 1 4 DG H21 3.150 . 4.500 2.219 2.215 2.222 . 0 0 "[ . 1]" 1
534 1 4 DG H1 1 4 DG H22 3.150 . 4.500 3.482 3.479 3.484 . 0 0 "[ . 1]" 1
535 1 4 DG H1 1 5 DG H1 4.200 3.000 5.400 3.982 3.739 4.125 . 0 0 "[ . 1]" 1
536 1 4 DG H8 1 20 DG H1 5.000 3.600 6.400 5.063 4.906 5.182 . 0 0 "[ . 1]" 1
537 1 4 DG H2'' 1 21 DG H1 6.000 4.200 7.800 6.316 6.017 6.545 . 0 0 "[ . 1]" 1
538 1 4 DG H2' 1 21 DG H1 5.000 3.600 6.400 6.357 6.221 6.441 0.041 7 0 "[ . 1]" 1
539 1 4 DG H8 1 21 DG H1 5.800 3.800 7.800 5.261 5.030 5.463 . 0 0 "[ . 1]" 1
540 1 4 DG H1 1 5 DG H2' 6.000 4.200 7.800 7.599 7.240 7.865 0.065 6 0 "[ . 1]" 1
541 1 5 DG H8 1 21 DG H1 5.800 3.800 7.800 4.982 4.886 5.055 . 0 0 "[ . 1]" 1
542 1 3 DG H1 1 7 DG H8 5.000 3.600 6.400 5.295 4.778 5.600 . 0 0 "[ . 1]" 1
543 1 4 DG H1 1 7 DG H2' 6.000 4.200 7.800 5.944 5.383 6.242 . 0 0 "[ . 1]" 1
544 1 7 DG H1 1 14 DG H1 6.000 4.200 7.800 4.271 4.219 4.380 . 0 0 "[ . 1]" 1
545 1 4 DG H1 1 8 DG H8 4.200 3.000 5.400 4.982 4.724 5.137 . 0 0 "[ . 1]" 1
546 1 5 DG H1 1 8 DG Q2' 5.000 3.600 6.900 4.943 4.648 5.407 . 0 0 "[ . 1]" 1
547 1 5 DG H1 1 8 DG H8 4.200 3.000 5.400 4.945 4.626 5.422 0.022 7 0 "[ . 1]" 1
548 1 8 DG H1 1 9 DG H1 4.200 3.000 5.400 3.411 3.076 3.859 . 0 0 "[ . 1]" 1
549 1 5 DG H1 1 9 DG H8 4.200 3.000 5.400 5.061 4.803 5.348 . 0 0 "[ . 1]" 1
550 1 7 DG H1 1 14 DG H8 5.000 3.600 6.400 5.178 4.709 5.305 . 0 0 "[ . 1]" 1
551 1 8 DG H1 1 14 DG H8 6.000 4.200 7.800 5.386 5.212 5.684 . 0 0 "[ . 1]" 1
552 1 14 DG H1 1 15 DG H1 4.200 3.000 5.400 3.717 3.363 4.015 . 0 0 "[ . 1]" 1
553 1 14 DG H1 1 18 DG H1 6.000 4.200 7.800 4.260 4.173 4.361 0.027 7 0 "[ . 1]" 1
554 1 8 DG H1 1 15 DG H8 5.000 3.600 6.400 5.024 4.898 5.346 . 0 0 "[ . 1]" 1
555 1 9 DG H1 1 15 DG H2'' 6.000 4.200 7.800 6.564 6.267 6.845 . 0 0 "[ . 1]" 1
556 1 9 DG H1 1 15 DG H8 4.200 3.000 5.400 5.235 5.068 5.404 0.004 8 0 "[ . 1]" 1
557 1 15 DG H1 1 15 DG H21 3.150 . 4.500 2.222 2.219 2.224 . 0 0 "[ . 1]" 1
558 1 15 DG H1 1 15 DG H22 3.150 . 4.500 3.484 3.482 3.486 . 0 0 "[ . 1]" 1
559 1 15 DG H1 1 16 DG H1 4.200 3.000 5.400 3.597 3.184 3.976 . 0 0 "[ . 1]" 1
560 1 9 DG H1 1 16 DG H8 5.000 3.600 6.400 5.243 4.993 5.461 . 0 0 "[ . 1]" 1
561 1 16 DG H1 1 20 DG H3' 6.000 4.200 7.800 6.103 5.833 6.760 . 0 0 "[ . 1]" 1
562 1 16 DG H1 1 20 DG Q5' 6.000 4.200 7.800 6.593 6.061 6.821 . 0 0 "[ . 1]" 1
563 1 14 DG H1 1 18 DG H8 5.000 3.600 6.400 5.368 4.986 5.634 . 0 0 "[ . 1]" 1
564 1 15 DG H1 1 18 DG H2'' 6.000 4.200 7.800 6.687 6.202 7.229 . 0 0 "[ . 1]" 1
565 1 15 DG H1 1 18 DG H8 5.000 3.600 6.400 5.672 5.324 6.183 . 0 0 "[ . 1]" 1
566 1 15 DG H1 1 20 DG H8 5.000 3.600 6.400 5.002 4.643 5.181 . 0 0 "[ . 1]" 1
567 1 16 DG H1 1 20 DG H2' 5.000 3.600 6.400 5.782 4.914 6.180 . 0 0 "[ . 1]" 1
568 1 16 DG H1 1 20 DG H8 5.800 3.800 7.800 5.659 5.044 6.269 . 0 0 "[ . 1]" 1
569 1 18 DG H1 1 20 DG H1' 5.000 3.600 6.400 6.090 5.495 6.468 0.068 5 0 "[ . 1]" 1
570 1 20 DG H1 1 21 DG H1 4.200 3.000 5.400 3.250 3.020 3.484 . 0 0 "[ . 1]" 1
571 1 16 DG H1 1 21 DG H8 4.200 3.000 5.400 5.093 4.963 5.229 . 0 0 "[ . 1]" 1
572 1 20 DG H1 1 21 DG H1' 6.000 4.200 7.800 6.531 6.282 6.775 . 0 0 "[ . 1]" 1
573 1 16 DG H1 1 22 DT C7 6.000 4.200 7.800 5.239 4.744 5.918 . 0 0 "[ . 1]" 1
574 1 21 DG H1 1 22 DT C7 5.000 3.600 6.400 6.281 5.867 6.454 0.054 9 0 "[ . 1]" 1
575 1 21 DG H1 1 22 DT H1' 5.000 3.600 6.400 5.267 4.565 6.222 . 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 48
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 9.148
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0218
_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 0.140 0.052 6 0 "[ . 1]"
1 4 DG 0.147 0.043 10 0 "[ . 1]"
1 5 DG 0.143 0.044 8 0 "[ . 1]"
1 7 DG 0.146 0.052 6 0 "[ . 1]"
1 8 DG 0.202 0.042 1 0 "[ . 1]"
1 9 DG 0.135 0.044 8 0 "[ . 1]"
1 14 DG 0.091 0.035 9 0 "[ . 1]"
1 15 DG 0.203 0.042 1 0 "[ . 1]"
1 16 DG 0.191 0.047 1 0 "[ . 1]"
1 18 DG 0.085 0.035 9 0 "[ . 1]"
1 20 DG 0.148 0.043 10 0 "[ . 1]"
1 21 DG 0.198 0.047 1 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 3 DG H21 1 7 DG N7 2.000 . 2.200 1.932 1.772 2.104 0.028 9 0 "[ . 1]" 2
2 1 3 DG N2 1 7 DG N7 2.900 2.600 3.200 2.872 2.680 3.024 . 0 0 "[ . 1]" 2
3 1 3 DG H1 1 7 DG O6 2.000 . 2.200 1.896 1.772 2.252 0.052 6 0 "[ . 1]" 2
4 1 3 DG N1 1 7 DG O6 2.900 2.600 3.200 2.891 2.779 3.218 0.018 6 0 "[ . 1]" 2
5 1 7 DG H21 1 14 DG N7 2.000 . 2.200 1.917 1.794 2.060 0.006 7 0 "[ . 1]" 2
6 1 7 DG N2 1 14 DG N7 2.900 2.600 3.200 2.878 2.743 3.050 . 0 0 "[ . 1]" 2
7 1 7 DG H1 1 14 DG O6 2.000 . 2.200 1.858 1.800 2.038 . 0 0 "[ . 1]" 2
8 1 7 DG N1 1 14 DG O6 2.900 2.600 3.200 2.840 2.790 2.917 . 0 0 "[ . 1]" 2
9 1 14 DG H21 1 18 DG N7 2.000 . 2.200 2.071 1.773 2.235 0.035 9 0 "[ . 1]" 2
10 1 14 DG N2 1 18 DG N7 2.900 2.600 3.200 3.031 2.762 3.161 . 0 0 "[ . 1]" 2
11 1 14 DG H1 1 18 DG O6 2.000 . 2.200 1.871 1.781 1.981 0.019 4 0 "[ . 1]" 2
12 1 14 DG N1 1 18 DG O6 2.900 2.600 3.200 2.861 2.778 2.964 . 0 0 "[ . 1]" 2
13 1 3 DG N7 1 18 DG H21 2.000 . 2.200 2.009 1.821 2.133 . 0 0 "[ . 1]" 2
14 1 3 DG N7 1 18 DG N2 2.900 2.600 3.200 2.963 2.770 3.083 . 0 0 "[ . 1]" 2
15 1 3 DG O6 1 18 DG H1 2.000 . 2.200 1.849 1.803 1.888 . 0 0 "[ . 1]" 2
16 1 3 DG O6 1 18 DG N1 2.900 2.600 3.200 2.849 2.801 2.883 . 0 0 "[ . 1]" 2
17 1 4 DG H21 1 8 DG N7 2.000 . 2.200 1.884 1.770 2.046 0.030 10 0 "[ . 1]" 2
18 1 4 DG N2 1 8 DG N7 2.900 2.600 3.200 2.869 2.757 3.023 . 0 0 "[ . 1]" 2
19 1 4 DG H1 1 8 DG O6 2.000 . 2.200 1.931 1.790 2.123 0.010 1 0 "[ . 1]" 2
20 1 4 DG N1 1 8 DG O6 2.900 2.600 3.200 2.887 2.761 3.032 . 0 0 "[ . 1]" 2
21 1 8 DG H21 1 15 DG N7 2.000 . 2.200 1.822 1.758 1.946 0.042 1 0 "[ . 1]" 2
22 1 8 DG N2 1 15 DG N7 2.900 2.600 3.200 2.804 2.743 2.923 . 0 0 "[ . 1]" 2
23 1 8 DG H1 1 15 DG O6 2.000 . 2.200 1.939 1.792 2.034 0.008 6 0 "[ . 1]" 2
24 1 8 DG N1 1 15 DG O6 2.900 2.600 3.200 2.867 2.690 2.955 . 0 0 "[ . 1]" 2
25 1 15 DG H21 1 20 DG N7 2.000 . 2.200 1.905 1.774 2.017 0.026 10 0 "[ . 1]" 2
26 1 15 DG N2 1 20 DG N7 2.900 2.600 3.200 2.898 2.769 3.020 . 0 0 "[ . 1]" 2
27 1 15 DG H1 1 20 DG O6 2.000 . 2.200 1.878 1.797 1.944 0.003 2 0 "[ . 1]" 2
28 1 15 DG N1 1 20 DG O6 2.900 2.600 3.200 2.840 2.776 2.892 . 0 0 "[ . 1]" 2
29 1 4 DG N7 1 20 DG H21 2.000 . 2.200 1.826 1.782 1.885 0.018 3 0 "[ . 1]" 2
30 1 4 DG N7 1 20 DG N2 2.900 2.600 3.200 2.811 2.769 2.872 . 0 0 "[ . 1]" 2
31 1 4 DG O6 1 20 DG H1 2.000 . 2.200 1.864 1.757 2.022 0.043 10 0 "[ . 1]" 2
32 1 4 DG O6 1 20 DG N1 2.900 2.600 3.200 2.836 2.720 2.995 . 0 0 "[ . 1]" 2
33 1 5 DG H21 1 9 DG N7 2.000 . 2.200 1.866 1.762 1.983 0.038 6 0 "[ . 1]" 2
34 1 5 DG N2 1 9 DG N7 2.900 2.600 3.200 2.845 2.712 2.969 . 0 0 "[ . 1]" 2
35 1 5 DG H1 1 9 DG O6 2.000 . 2.200 1.915 1.756 2.025 0.044 8 0 "[ . 1]" 2
36 1 5 DG N1 1 9 DG O6 2.900 2.600 3.200 2.867 2.749 2.964 . 0 0 "[ . 1]" 2
37 1 9 DG H21 1 16 DG N7 2.000 . 2.200 2.039 1.913 2.203 0.003 6 0 "[ . 1]" 2
38 1 9 DG N2 1 16 DG N7 2.900 2.600 3.200 3.005 2.875 3.181 . 0 0 "[ . 1]" 2
39 1 9 DG H1 1 16 DG O6 2.000 . 2.200 1.925 1.769 2.076 0.031 3 0 "[ . 1]" 2
40 1 9 DG N1 1 16 DG O6 2.900 2.600 3.200 2.874 2.690 3.063 . 0 0 "[ . 1]" 2
41 1 16 DG H21 1 21 DG N7 2.000 . 2.200 1.950 1.862 2.057 . 0 0 "[ . 1]" 2
42 1 16 DG N2 1 21 DG N7 2.900 2.600 3.200 2.930 2.833 3.058 . 0 0 "[ . 1]" 2
43 1 16 DG H1 1 21 DG O6 2.000 . 2.200 2.157 2.011 2.247 0.047 1 0 "[ . 1]" 2
44 1 16 DG N1 1 21 DG O6 2.900 2.600 3.200 3.109 3.002 3.214 0.014 7 0 "[ . 1]" 2
45 1 5 DG N7 1 21 DG H21 2.000 . 2.200 1.881 1.795 2.062 0.005 1 0 "[ . 1]" 2
46 1 5 DG N7 1 21 DG N2 2.900 2.600 3.200 2.817 2.721 2.981 . 0 0 "[ . 1]" 2
47 1 5 DG O6 1 21 DG H1 2.000 . 2.200 2.094 1.855 2.231 0.031 5 0 "[ . 1]" 2
48 1 5 DG O6 1 21 DG N1 2.900 2.600 3.200 2.908 2.760 2.966 . 0 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 9
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 53.742
_Distance_constraint_stats_list.Viol_max 1.898
_Distance_constraint_stats_list.Viol_rms 0.2919
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0597
_Distance_constraint_stats_list.Viol_average_violations_only 0.7677
_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 4 DG 0.219 0.219 6 0 "[ . 1]"
1 5 DG 0.402 0.191 6 0 "[ . 1]"
1 6 DC 0.621 0.219 6 0 "[ . 1]"
1 7 DG 0.000 0.000 . 0 "[ . 1]"
1 10 DA 2.855 1.623 3 2 "[ + . - 1]"
1 11 DC 2.855 1.623 3 2 "[ + . - 1]"
1 12 DT 0.000 0.000 . 0 "[ . 1]"
1 13 DG 1.898 1.898 3 1 "[ + . 1]"
1 14 DG 1.898 1.898 3 1 "[ + . 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 6 DC H1' 1 7 DG H3' 7.500 5.000 79.500 6.069 5.374 6.918 . 0 0 "[ . 1]" 3
2 1 5 DG H1' 1 6 DC H4' 7.500 5.000 79.500 5.818 4.809 6.396 0.191 6 0 "[ . 1]" 3
3 1 5 DG H5' 1 6 DC H6 7.500 5.000 79.500 6.059 5.534 6.427 . 0 0 "[ . 1]" 3
4 1 5 DG H5'' 1 6 DC H6 7.500 5.000 79.500 5.222 4.872 5.602 0.128 4 0 "[ . 1]" 3
5 1 4 DG H1' 1 6 DC H3' 7.500 5.000 79.500 6.256 4.781 7.601 0.219 6 0 "[ . 1]" 3
6 1 13 DG H1' 1 14 DG H3' 7.500 5.000 79.500 6.412 3.102 7.996 1.898 3 1 "[ + . 1]" 3
7 1 13 DG H8 1 14 DG H8 7.500 5.000 79.500 8.773 7.145 9.676 . 0 0 "[ . 1]" 3
8 1 10 DA H2 1 11 DC H5 7.500 5.000 79.500 8.845 3.377 13.828 1.623 3 2 "[ + . - 1]" 3
9 1 12 DT H4' 1 14 DG H3' 7.500 5.000 79.500 8.762 6.587 10.503 . 0 0 "[ . 1]" 3
stop_
save_
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