NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571523 |
2mi0   |
19662 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mi0
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 86
_Distance_constraint_stats_list.Viol_count 1028
_Distance_constraint_stats_list.Viol_total 383.281
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.0178
_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 G 0.554 0.026 20 0 "[ . 1 . 2 ]"
1 2 A 0.221 0.019 3 0 "[ . 1 . 2 ]"
1 3 G 1.507 0.073 16 0 "[ . 1 . 2 ]"
1 4 C 1.636 0.072 8 0 "[ . 1 . 2 ]"
1 5 A 0.254 0.030 9 0 "[ . 1 . 2 ]"
1 6 G 1.835 0.057 15 0 "[ . 1 . 2 ]"
1 11 G 1.846 0.053 2 0 "[ . 1 . 2 ]"
1 12 U 0.296 0.023 16 0 "[ . 1 . 2 ]"
1 13 C 2.143 0.067 20 0 "[ . 1 . 2 ]"
1 16 C 1.835 0.057 15 0 "[ . 1 . 2 ]"
1 17 U 0.254 0.030 9 0 "[ . 1 . 2 ]"
1 18 G 1.636 0.072 8 0 "[ . 1 . 2 ]"
1 19 C 1.507 0.073 16 0 "[ . 1 . 2 ]"
1 20 U 0.221 0.019 3 0 "[ . 1 . 2 ]"
1 21 C 0.554 0.026 20 0 "[ . 1 . 2 ]"
2 1 G 0.481 0.023 7 0 "[ . 1 . 2 ]"
2 2 C 1.412 0.063 17 0 "[ . 1 . 2 ]"
2 3 G 0.906 0.047 16 0 "[ . 1 . 2 ]"
2 4 G 1.179 0.059 10 0 "[ . 1 . 2 ]"
2 5 C 1.681 0.057 11 0 "[ . 1 . 2 ]"
2 6 A 0.396 0.045 11 0 "[ . 1 . 2 ]"
2 7 G 1.907 0.067 3 0 "[ . 1 . 2 ]"
2 10 G 2.143 0.067 20 0 "[ . 1 . 2 ]"
2 11 A 0.296 0.023 16 0 "[ . 1 . 2 ]"
2 12 C 1.846 0.053 2 0 "[ . 1 . 2 ]"
2 15 C 1.907 0.067 3 0 "[ . 1 . 2 ]"
2 16 U 0.396 0.045 11 0 "[ . 1 . 2 ]"
2 17 G 1.681 0.057 11 0 "[ . 1 . 2 ]"
2 18 U 1.179 0.059 10 0 "[ . 1 . 2 ]"
2 19 C 0.906 0.047 16 0 "[ . 1 . 2 ]"
2 20 G 1.412 0.063 17 0 "[ . 1 . 2 ]"
2 21 C 0.481 0.023 7 0 "[ . 1 . 2 ]"
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 G O6 1 21 C N4 2.910 2.870 2.950 2.962 2.956 2.974 0.024 20 0 "[ . 1 . 2 ]" 1
2 1 3 G O6 1 19 C N4 2.910 2.870 2.950 2.941 2.883 2.965 0.015 16 0 "[ . 1 . 2 ]" 1
3 1 4 C N4 1 18 G O6 2.910 2.870 2.950 2.956 2.906 2.980 0.030 19 0 "[ . 1 . 2 ]" 1
4 1 6 G O6 1 16 C N4 2.910 2.870 2.950 2.948 2.881 2.974 0.024 4 0 "[ . 1 . 2 ]" 1
5 2 1 G O6 2 21 C N4 2.910 2.870 2.950 2.955 2.929 2.971 0.021 7 0 "[ . 1 . 2 ]" 1
6 2 2 C N4 2 20 G O6 2.910 2.870 2.950 2.939 2.883 2.966 0.016 19 0 "[ . 1 . 2 ]" 1
7 2 3 G O6 2 19 C N4 2.910 2.870 2.950 2.956 2.925 2.972 0.022 16 0 "[ . 1 . 2 ]" 1
8 2 5 C N4 2 17 G O6 2.910 2.870 2.950 2.954 2.914 2.972 0.022 12 0 "[ . 1 . 2 ]" 1
9 2 7 G O6 2 15 C N4 2.910 2.870 2.950 2.943 2.882 2.967 0.017 21 0 "[ . 1 . 2 ]" 1
10 1 11 G O6 2 12 C N4 2.910 2.870 2.950 2.967 2.951 2.982 0.032 5 0 "[ . 1 . 2 ]" 1
11 1 13 C N4 2 10 G O6 2.910 2.870 2.950 2.970 2.951 2.994 0.044 21 0 "[ . 1 . 2 ]" 1
12 1 1 G H1 1 21 C N3 2.000 . 2.040 2.013 1.952 2.051 0.011 11 0 "[ . 1 . 2 ]" 1
13 1 3 G H1 1 19 C N3 2.000 . 2.040 1.966 1.909 2.050 0.051 16 0 "[ . 1 . 2 ]" 1
14 1 4 C N3 1 18 G H1 2.000 . 2.040 1.957 1.920 2.059 0.040 19 0 "[ . 1 . 2 ]" 1
15 1 6 G H1 1 16 C N3 2.000 . 2.040 1.944 1.915 1.999 0.045 4 0 "[ . 1 . 2 ]" 1
16 2 1 G H1 2 21 C N3 2.000 . 2.040 1.968 1.940 1.998 0.020 11 0 "[ . 1 . 2 ]" 1
17 2 2 C N3 2 20 G H1 2.000 . 2.040 1.982 1.941 2.042 0.019 19 0 "[ . 1 . 2 ]" 1
18 2 3 G H1 2 19 C N3 2.000 . 2.040 1.935 1.913 1.951 0.047 16 0 "[ . 1 . 2 ]" 1
19 2 5 C N3 2 17 G H1 2.000 . 2.040 1.958 1.918 1.990 0.042 11 0 "[ . 1 . 2 ]" 1
20 2 7 G H1 2 15 C N3 2.000 . 2.040 1.955 1.919 2.047 0.041 21 0 "[ . 1 . 2 ]" 1
21 1 11 G H1 2 12 C N3 2.000 . 2.040 1.963 1.907 2.079 0.053 2 0 "[ . 1 . 2 ]" 1
22 1 13 C N3 2 10 G H1 2.000 . 2.040 1.958 1.911 2.051 0.049 21 0 "[ . 1 . 2 ]" 1
23 1 1 G N1 1 21 C N3 2.950 2.910 2.990 2.928 2.891 2.976 0.019 8 0 "[ . 1 . 2 ]" 1
24 1 3 G N1 1 19 C N3 2.950 2.910 2.990 2.914 2.899 2.941 0.011 2 0 "[ . 1 . 2 ]" 1
25 1 4 C N3 1 18 G N1 2.950 2.910 2.990 2.924 2.891 2.969 0.019 15 0 "[ . 1 . 2 ]" 1
26 1 6 G N1 1 16 C N3 2.950 2.910 2.990 2.895 2.853 2.938 0.057 20 0 "[ . 1 . 2 ]" 1
27 2 1 G N1 2 21 C N3 2.950 2.910 2.990 2.965 2.948 2.986 . 0 0 "[ . 1 . 2 ]" 1
28 2 2 C N3 2 20 G N1 2.950 2.910 2.990 2.892 2.881 2.907 0.029 2 0 "[ . 1 . 2 ]" 1
29 2 3 G N1 2 19 C N3 2.950 2.910 2.990 2.935 2.901 2.955 0.009 9 0 "[ . 1 . 2 ]" 1
30 2 5 C N3 2 17 G N1 2.950 2.910 2.990 2.933 2.904 2.951 0.006 12 0 "[ . 1 . 2 ]" 1
31 2 7 G N1 2 15 C N3 2.950 2.910 2.990 2.912 2.890 2.938 0.020 19 0 "[ . 1 . 2 ]" 1
32 1 11 G N1 2 12 C N3 2.950 2.910 2.990 2.932 2.875 2.959 0.035 11 0 "[ . 1 . 2 ]" 1
33 1 13 C N3 2 10 G N1 2.950 2.910 2.990 2.936 2.872 2.974 0.038 15 0 "[ . 1 . 2 ]" 1
34 1 1 G N2 1 21 C O2 2.860 2.820 2.900 2.832 2.807 2.901 0.013 11 0 "[ . 1 . 2 ]" 1
35 1 3 G N2 1 19 C O2 2.860 2.820 2.900 2.795 2.768 2.813 0.052 17 0 "[ . 1 . 2 ]" 1
36 1 4 C O2 1 18 G N2 2.860 2.820 2.900 2.814 2.748 2.892 0.072 8 0 "[ . 1 . 2 ]" 1
37 1 6 G N2 1 16 C O2 2.860 2.820 2.900 2.889 2.785 2.928 0.035 15 0 "[ . 1 . 2 ]" 1
38 2 1 G N2 2 21 C O2 2.860 2.820 2.900 2.876 2.821 2.902 0.002 21 0 "[ . 1 . 2 ]" 1
39 2 2 C O2 2 20 G N2 2.860 2.820 2.900 2.805 2.769 2.860 0.051 8 0 "[ . 1 . 2 ]" 1
40 2 3 G N2 2 19 C O2 2.860 2.820 2.900 2.902 2.812 2.918 0.018 1 0 "[ . 1 . 2 ]" 1
41 2 5 C O2 2 17 G N2 2.860 2.820 2.900 2.797 2.776 2.846 0.044 12 0 "[ . 1 . 2 ]" 1
42 2 7 G N2 2 15 C O2 2.860 2.820 2.900 2.802 2.756 2.902 0.064 11 0 "[ . 1 . 2 ]" 1
43 1 11 G N2 2 12 C O2 2.860 2.820 2.900 2.812 2.772 2.909 0.048 13 0 "[ . 1 . 2 ]" 1
44 1 13 C O2 2 10 G N2 2.860 2.820 2.900 2.811 2.778 2.898 0.042 4 0 "[ . 1 . 2 ]" 1
45 1 1 G N2 1 21 C H6 6.700 6.600 6.800 6.680 6.601 6.808 0.008 20 0 "[ . 1 . 2 ]" 1
46 1 3 G N2 1 19 C H6 6.700 6.600 6.800 6.829 6.788 6.873 0.073 16 0 "[ . 1 . 2 ]" 1
47 1 4 C H6 1 18 G N2 6.700 6.600 6.800 6.822 6.718 6.865 0.065 9 0 "[ . 1 . 2 ]" 1
48 1 6 G N2 1 16 C H6 6.700 6.600 6.800 6.827 6.804 6.857 0.057 15 0 "[ . 1 . 2 ]" 1
49 2 1 G N2 2 21 C H6 6.700 6.600 6.800 6.809 6.802 6.817 0.017 15 0 "[ . 1 . 2 ]" 1
50 2 2 C H6 2 20 G N2 6.700 6.600 6.800 6.821 6.752 6.863 0.063 17 0 "[ . 1 . 2 ]" 1
51 2 3 G N2 2 19 C H6 6.700 6.600 6.800 6.648 6.597 6.713 0.003 2 0 "[ . 1 . 2 ]" 1
52 2 5 C H6 2 17 G N2 6.700 6.600 6.800 6.829 6.808 6.857 0.057 11 0 "[ . 1 . 2 ]" 1
53 2 7 G N2 2 15 C H6 6.700 6.600 6.800 6.795 6.588 6.867 0.067 3 0 "[ . 1 . 2 ]" 1
54 1 11 G N2 2 12 C H6 6.700 6.600 6.800 6.821 6.740 6.853 0.053 17 0 "[ . 1 . 2 ]" 1
55 1 13 C H6 2 10 G N2 6.700 6.600 6.800 6.829 6.784 6.867 0.067 20 0 "[ . 1 . 2 ]" 1
56 1 1 G O6 1 21 C H5 5.600 5.500 5.700 5.496 5.474 5.560 0.026 20 0 "[ . 1 . 2 ]" 1
57 1 3 G O6 1 19 C H5 5.600 5.500 5.700 5.530 5.488 5.616 0.012 10 0 "[ . 1 . 2 ]" 1
58 1 4 C H5 1 18 G O6 5.600 5.500 5.700 5.566 5.494 5.639 0.006 4 0 "[ . 1 . 2 ]" 1
59 1 6 G O6 1 16 C H5 5.600 5.500 5.700 5.563 5.485 5.626 0.015 16 0 "[ . 1 . 2 ]" 1
60 2 1 G O6 2 21 C H5 5.600 5.500 5.700 5.530 5.477 5.614 0.023 7 0 "[ . 1 . 2 ]" 1
61 2 2 C H5 2 20 G O6 5.600 5.500 5.700 5.582 5.496 5.623 0.004 21 0 "[ . 1 . 2 ]" 1
62 2 3 G O6 2 19 C H5 5.600 5.500 5.700 5.567 5.500 5.633 0.000 15 0 "[ . 1 . 2 ]" 1
63 2 5 C H5 2 17 G O6 5.600 5.500 5.700 5.497 5.476 5.575 0.024 10 0 "[ . 1 . 2 ]" 1
64 2 7 G O6 2 15 C H5 5.600 5.500 5.700 5.579 5.489 5.628 0.011 18 0 "[ . 1 . 2 ]" 1
65 1 11 G O6 2 12 C H5 5.600 5.500 5.700 5.520 5.465 5.629 0.035 5 0 "[ . 1 . 2 ]" 1
66 1 13 C H5 2 10 G O6 5.600 5.500 5.700 5.490 5.458 5.613 0.042 6 0 "[ . 1 . 2 ]" 1
67 1 2 A N1 1 20 U H3 1.870 . 1.910 1.862 1.811 1.915 0.019 3 0 "[ . 1 . 2 ]" 1
68 1 5 A N1 1 17 U H3 1.870 . 1.910 1.850 1.800 1.909 0.030 9 0 "[ . 1 . 2 ]" 1
69 2 6 A N1 2 16 U H3 1.870 . 1.910 1.869 1.822 1.906 0.008 10 0 "[ . 1 . 2 ]" 1
70 1 12 U H3 2 11 A N1 1.870 . 1.910 1.840 1.807 1.918 0.023 16 0 "[ . 1 . 2 ]" 1
71 1 2 A N6 1 20 U O4 2.950 2.910 2.990 2.947 2.900 2.991 0.010 6 0 "[ . 1 . 2 ]" 1
72 1 5 A N6 1 17 U O4 2.950 2.910 2.990 2.954 2.905 3.009 0.019 2 0 "[ . 1 . 2 ]" 1
73 2 6 A N6 2 16 U O4 2.950 2.910 2.990 2.934 2.893 2.996 0.017 9 0 "[ . 1 . 2 ]" 1
74 1 12 U O4 2 11 A N6 2.950 2.910 2.990 2.968 2.911 2.999 0.009 17 0 "[ . 1 . 2 ]" 1
75 1 2 A N1 1 20 U N3 2.820 2.780 2.860 2.853 2.786 2.876 0.016 6 0 "[ . 1 . 2 ]" 1
76 1 5 A N1 1 17 U N3 2.820 2.780 2.860 2.827 2.778 2.865 0.005 14 0 "[ . 1 . 2 ]" 1
77 2 6 A N1 2 16 U N3 2.820 2.780 2.860 2.872 2.827 2.905 0.045 11 0 "[ . 1 . 2 ]" 1
78 1 12 U N3 2 11 A N1 2.820 2.780 2.860 2.811 2.777 2.866 0.006 19 0 "[ . 1 . 2 ]" 1
79 1 2 A N6 1 20 U H5 5.600 5.560 5.640 5.621 5.578 5.651 0.011 3 0 "[ . 1 . 2 ]" 1
80 1 5 A N6 1 17 U H5 5.600 5.560 5.640 5.592 5.539 5.653 0.021 14 0 "[ . 1 . 2 ]" 1
81 2 6 A N6 2 16 U H5 5.600 5.560 5.640 5.575 5.548 5.642 0.012 7 0 "[ . 1 . 2 ]" 1
82 1 12 U H5 2 11 A N6 5.600 5.560 5.640 5.629 5.576 5.660 0.020 20 0 "[ . 1 . 2 ]" 1
83 2 4 G O6 2 18 U H3 1.950 . 1.990 1.987 1.951 2.003 0.013 15 0 "[ . 1 . 2 ]" 1
84 2 4 G H1 2 18 U O2 1.950 . 1.990 1.904 1.884 1.924 0.026 19 0 "[ . 1 . 2 ]" 1
85 2 4 G O6 2 18 U N3 2.900 2.860 2.940 2.987 2.958 2.999 0.059 10 0 "[ . 1 . 2 ]" 1
86 2 4 G N1 2 18 U O2 2.900 2.860 2.940 2.900 2.861 2.923 . 0 0 "[ . 1 . 2 ]" 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 520
_Distance_constraint_stats_list.Viol_count 621
_Distance_constraint_stats_list.Viol_total 217.944
_Distance_constraint_stats_list.Viol_max 0.314
_Distance_constraint_stats_list.Viol_rms 0.0070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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 G 0.349 0.023 19 0 "[ . 1 . 2 ]"
1 2 A 0.231 0.014 8 0 "[ . 1 . 2 ]"
1 3 G 0.259 0.019 19 0 "[ . 1 . 2 ]"
1 4 C 0.148 0.016 8 0 "[ . 1 . 2 ]"
1 5 A 0.479 0.044 15 0 "[ . 1 . 2 ]"
1 6 G 0.140 0.039 8 0 "[ . 1 . 2 ]"
1 7 C 1.240 0.103 11 0 "[ . 1 . 2 ]"
1 8 A 0.081 0.012 17 0 "[ . 1 . 2 ]"
1 9 U 0.136 0.026 4 0 "[ . 1 . 2 ]"
1 10 C 0.004 0.002 10 0 "[ . 1 . 2 ]"
1 11 G 0.379 0.023 15 0 "[ . 1 . 2 ]"
1 12 U 0.049 0.026 4 0 "[ . 1 . 2 ]"
1 13 C 0.023 0.007 21 0 "[ . 1 . 2 ]"
1 14 G 1.261 0.103 11 0 "[ . 1 . 2 ]"
1 15 G 1.593 0.103 11 0 "[ . 1 . 2 ]"
1 16 C 0.117 0.028 20 0 "[ . 1 . 2 ]"
1 17 U 0.041 0.011 8 0 "[ . 1 . 2 ]"
1 18 G 0.135 0.023 15 0 "[ . 1 . 2 ]"
1 19 C 0.072 0.031 1 0 "[ . 1 . 2 ]"
1 20 U 0.064 0.016 21 0 "[ . 1 . 2 ]"
1 21 C 1.482 0.314 1 0 "[ . 1 . 2 ]"
1 22 A 2.593 0.314 1 0 "[ . 1 . 2 ]"
2 1 G 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 2 C 0.015 0.005 8 0 "[ . 1 . 2 ]"
2 3 G 0.382 0.032 19 0 "[ . 1 . 2 ]"
2 4 G 0.155 0.017 10 0 "[ . 1 . 2 ]"
2 5 C 0.056 0.009 13 0 "[ . 1 . 2 ]"
2 6 A 0.785 0.042 4 0 "[ . 1 . 2 ]"
2 7 G 0.105 0.018 9 0 "[ . 1 . 2 ]"
2 8 U 0.320 0.024 8 0 "[ . 1 . 2 ]"
2 9 U 0.046 0.005 5 0 "[ . 1 . 2 ]"
2 10 G 0.095 0.014 18 0 "[ . 1 . 2 ]"
2 11 A 0.185 0.014 18 0 "[ . 1 . 2 ]"
2 12 C 0.020 0.008 14 0 "[ . 1 . 2 ]"
2 13 U 1.186 0.066 10 0 "[ . 1 . 2 ]"
2 14 A 0.467 0.024 8 0 "[ . 1 . 2 ]"
2 15 C 0.065 0.008 10 0 "[ . 1 . 2 ]"
2 16 U 0.001 0.001 1 0 "[ . 1 . 2 ]"
2 17 G 0.636 0.034 19 0 "[ . 1 . 2 ]"
2 18 U 0.091 0.010 3 0 "[ . 1 . 2 ]"
2 19 C 0.091 0.010 3 0 "[ . 1 . 2 ]"
2 20 G 0.389 0.030 3 0 "[ . 1 . 2 ]"
2 21 C 0.000 0.000 . 0 "[ . 1 . 2 ]"
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 G H1' 1 22 A H2 4.500 . 4.500 3.846 2.946 4.501 0.001 10 0 "[ . 1 . 2 ]" 2
2 1 1 G H1' 1 2 A H8 5.500 . 5.500 5.062 5.000 5.082 . 0 0 "[ . 1 . 2 ]" 2
3 1 1 G H1' 1 1 G H2' 3.300 . 3.300 2.730 2.709 2.746 . 0 0 "[ . 1 . 2 ]" 2
4 1 1 G H1' 1 1 G Q5' 5.500 . 5.500 4.411 4.343 4.465 . 0 0 "[ . 1 . 2 ]" 2
5 1 1 G H2' 1 2 A H8 3.300 . 3.300 2.349 2.347 2.350 . 0 0 "[ . 1 . 2 ]" 2
6 1 1 G H2' 1 1 G H3' 3.300 . 3.300 2.358 2.354 2.362 . 0 0 "[ . 1 . 2 ]" 2
7 1 1 G H3' 1 2 A H8 3.300 . 3.300 3.285 3.190 3.314 0.014 8 0 "[ . 1 . 2 ]" 2
8 1 1 G H3' 1 1 G H8 3.300 . 3.300 3.304 3.171 3.323 0.023 19 0 "[ . 1 . 2 ]" 2
9 1 1 G H3' 1 1 G H4' 3.300 . 3.300 3.045 3.036 3.049 . 0 0 "[ . 1 . 2 ]" 2
10 1 1 G H3' 1 1 G Q5' 3.300 . 3.300 2.793 2.648 2.941 . 0 0 "[ . 1 . 2 ]" 2
11 1 1 G H4' 1 1 G H8 5.500 . 5.500 4.302 4.247 4.344 . 0 0 "[ . 1 . 2 ]" 2
12 1 1 G H5' 1 1 G H8 5.500 . 5.500 3.484 3.213 3.705 . 0 0 "[ . 1 . 2 ]" 2
13 1 1 G H5'' 1 1 G H8 5.500 . 5.500 4.198 4.062 4.383 . 0 0 "[ . 1 . 2 ]" 2
14 1 1 G H2' 1 1 G H8 5.500 . 5.500 4.106 3.979 4.168 . 0 0 "[ . 1 . 2 ]" 2
15 1 2 A H1' 1 3 G H8 5.500 . 5.500 5.038 4.936 5.103 . 0 0 "[ . 1 . 2 ]" 2
16 1 2 A H1' 1 2 A H2' 3.300 . 3.300 2.755 2.730 2.778 . 0 0 "[ . 1 . 2 ]" 2
17 1 2 A H2 1 21 C H1' 4.500 . 4.500 3.691 3.048 4.502 0.002 19 0 "[ . 1 . 2 ]" 2
18 1 2 A H2 1 3 G H1' 4.500 . 4.500 4.457 4.042 4.508 0.008 19 0 "[ . 1 . 2 ]" 2
19 1 2 A H2' 1 3 G H8 3.300 . 3.300 2.350 2.345 2.380 . 0 0 "[ . 1 . 2 ]" 2
20 1 2 A H3' 1 3 G H8 5.500 . 5.500 3.546 3.351 3.828 . 0 0 "[ . 1 . 2 ]" 2
21 1 2 A H3' 1 2 A H8 3.300 . 3.300 3.022 2.821 3.218 . 0 0 "[ . 1 . 2 ]" 2
22 1 2 A H2' 1 2 A H8 5.500 . 5.500 3.844 3.722 3.974 . 0 0 "[ . 1 . 2 ]" 2
23 1 3 G H1' 1 4 C H6 5.500 . 5.500 4.967 4.801 5.093 . 0 0 "[ . 1 . 2 ]" 2
24 1 3 G H1' 1 3 G H2' 3.300 . 3.300 2.738 2.717 2.756 . 0 0 "[ . 1 . 2 ]" 2
25 1 3 G H2' 1 4 C H6 3.300 . 3.300 2.348 2.344 2.349 . 0 0 "[ . 1 . 2 ]" 2
26 1 3 G H2' 1 4 C H5 5.500 . 5.500 4.050 3.703 4.366 . 0 0 "[ . 1 . 2 ]" 2
27 1 3 G H3' 1 4 C H5 5.500 . 5.500 4.104 3.740 4.445 . 0 0 "[ . 1 . 2 ]" 2
28 1 3 G H3' 1 3 G H8 3.300 . 3.300 2.955 2.576 3.155 . 0 0 "[ . 1 . 2 ]" 2
29 1 3 G H3' 1 4 C H6 3.300 . 3.300 3.287 3.151 3.316 0.016 8 0 "[ . 1 . 2 ]" 2
30 1 3 G H8 1 4 C H5 7.500 3.000 7.500 4.617 4.250 4.982 . 0 0 "[ . 1 . 2 ]" 2
31 1 4 C H1' 1 4 C H2' 3.300 . 3.300 2.832 2.789 2.878 . 0 0 "[ . 1 . 2 ]" 2
32 1 4 C H1' 1 5 A H8 5.500 . 5.500 5.039 4.933 5.151 . 0 0 "[ . 1 . 2 ]" 2
33 1 4 C H2' 1 5 A H8 3.300 . 3.300 2.349 2.347 2.350 . 0 0 "[ . 1 . 2 ]" 2
34 1 4 C H5 1 4 C H6 3.300 . 3.300 2.450 2.449 2.451 . 0 0 "[ . 1 . 2 ]" 2
35 1 4 C H2' 1 4 C H6 5.500 . 5.500 3.783 3.738 3.825 . 0 0 "[ . 1 . 2 ]" 2
36 1 5 A H1' 1 6 G H8 5.500 . 5.500 5.096 5.011 5.392 . 0 0 "[ . 1 . 2 ]" 2
37 1 5 A H1' 1 5 A H2' 3.300 . 3.300 2.811 2.773 2.870 . 0 0 "[ . 1 . 2 ]" 2
38 1 5 A H2' 1 6 G H8 3.300 . 3.300 2.400 2.348 2.752 . 0 0 "[ . 1 . 2 ]" 2
39 1 5 A H3' 1 6 G H8 5.500 . 5.500 3.705 3.493 3.941 . 0 0 "[ . 1 . 2 ]" 2
40 1 5 A H2 1 18 G H1' 4.500 . 4.500 4.300 3.648 4.514 0.014 15 0 "[ . 1 . 2 ]" 2
41 1 5 A H2 1 6 G H1' 4.500 . 4.500 3.960 3.609 4.504 0.004 15 0 "[ . 1 . 2 ]" 2
42 1 5 A H8 1 6 G H8 7.500 3.000 7.500 4.917 4.397 5.242 . 0 0 "[ . 1 . 2 ]" 2
43 1 6 G H1' 1 7 C H6 5.500 . 5.500 5.133 4.771 5.510 0.010 21 0 "[ . 1 . 2 ]" 2
44 1 6 G H1' 1 6 G H2' 3.300 . 3.300 2.813 2.776 2.852 . 0 0 "[ . 1 . 2 ]" 2
45 1 6 G H2' 1 7 C H6 3.300 . 3.300 2.684 2.348 3.264 . 0 0 "[ . 1 . 2 ]" 2
46 1 6 G H3' 1 6 G H8 3.300 . 3.300 3.073 2.884 3.294 . 0 0 "[ . 1 . 2 ]" 2
47 1 7 C H1' 1 8 A H8 5.500 . 5.500 5.326 5.015 5.506 0.006 14 0 "[ . 1 . 2 ]" 2
48 1 7 C H1' 1 7 C H2' 3.300 . 3.300 2.796 2.757 2.848 . 0 0 "[ . 1 . 2 ]" 2
49 1 7 C H2' 1 8 A H8 3.300 . 3.300 2.831 2.348 3.302 0.002 9 0 "[ . 1 . 2 ]" 2
50 1 7 C H3' 1 7 C H6 3.300 . 3.300 3.249 3.135 3.313 0.013 21 0 "[ . 1 . 2 ]" 2
51 1 7 C H3' 1 8 A H8 5.500 . 5.500 2.851 2.349 3.609 . 0 0 "[ . 1 . 2 ]" 2
52 1 7 C H5 1 7 C H6 3.300 . 3.300 2.451 2.449 2.452 . 0 0 "[ . 1 . 2 ]" 2
53 1 7 C H6 1 8 A H8 7.500 3.000 7.500 4.753 3.121 5.981 . 0 0 "[ . 1 . 2 ]" 2
54 1 8 A H1' 1 8 A H2' 3.300 . 3.300 2.767 2.742 2.796 . 0 0 "[ . 1 . 2 ]" 2
55 1 8 A H1' 1 9 U H6 5.500 . 5.500 5.225 4.473 5.494 . 0 0 "[ . 1 . 2 ]" 2
56 1 8 A H2' 1 9 U H6 3.300 . 3.300 2.707 2.349 3.207 . 0 0 "[ . 1 . 2 ]" 2
57 1 8 A H2' 1 8 A H3' 3.300 . 3.300 2.353 2.349 2.358 . 0 0 "[ . 1 . 2 ]" 2
58 1 8 A H2' 1 8 A H8 7.500 3.000 7.500 3.841 3.648 4.067 . 0 0 "[ . 1 . 2 ]" 2
59 1 8 A H2' 1 9 U H1' 5.500 . 5.500 4.597 3.542 5.300 . 0 0 "[ . 1 . 2 ]" 2
60 1 8 A H2' 1 9 U H5 7.500 3.000 7.500 4.339 3.545 5.083 . 0 0 "[ . 1 . 2 ]" 2
61 1 8 A H3' 1 8 A H8 3.300 . 3.300 3.087 2.798 3.311 0.011 11 0 "[ . 1 . 2 ]" 2
62 1 8 A H3' 1 9 U H6 5.500 . 5.500 3.649 2.362 4.407 . 0 0 "[ . 1 . 2 ]" 2
63 1 8 A H8 1 9 U H6 5.500 . 5.500 5.135 3.887 5.505 0.005 13 0 "[ . 1 . 2 ]" 2
64 1 8 A H3' 1 9 U H5 5.500 . 5.500 4.512 3.033 5.507 0.007 9 0 "[ . 1 . 2 ]" 2
65 1 9 U H1' 1 9 U H2' 3.300 . 3.300 2.782 2.745 2.987 . 0 0 "[ . 1 . 2 ]" 2
66 1 8 A H2 1 9 U H1' 5.500 . 5.500 4.741 2.924 5.506 0.006 4 0 "[ . 1 . 2 ]" 2
67 1 9 U H1' 1 11 G H8 5.500 . 5.500 3.837 2.722 5.268 . 0 0 "[ . 1 . 2 ]" 2
68 1 9 U H1' 1 12 U H6 5.500 . 5.500 5.415 4.765 5.526 0.026 4 0 "[ . 1 . 2 ]" 2
69 1 9 U H2' 1 11 G H8 3.300 . 3.300 3.240 2.917 3.310 0.010 19 0 "[ . 1 . 2 ]" 2
70 1 9 U H5 1 9 U H6 3.300 . 3.300 2.427 2.425 2.428 . 0 0 "[ . 1 . 2 ]" 2
71 1 9 U H2' 1 9 U H6 5.500 . 5.500 3.916 3.566 3.987 . 0 0 "[ . 1 . 2 ]" 2
72 1 10 C H1' 1 11 G H8 5.500 . 5.500 4.989 4.754 5.451 . 0 0 "[ . 1 . 2 ]" 2
73 1 10 C H1' 1 10 C H2' 3.300 . 3.300 2.790 2.756 2.895 . 0 0 "[ . 1 . 2 ]" 2
74 1 10 C H2' 1 11 G H8 3.300 . 3.300 2.731 2.348 3.176 . 0 0 "[ . 1 . 2 ]" 2
75 1 10 C H5 1 10 C H6 3.300 . 3.300 2.450 2.449 2.452 . 0 0 "[ . 1 . 2 ]" 2
76 1 10 C H5 2 15 C H1' 5.500 . 5.500 3.045 2.395 3.973 . 0 0 "[ . 1 . 2 ]" 2
77 1 10 C H6 2 15 C H1' 7.500 3.000 7.500 4.406 3.874 5.167 . 0 0 "[ . 1 . 2 ]" 2
78 1 10 C H6 2 15 C H2' 7.500 3.000 7.500 5.586 4.884 6.996 . 0 0 "[ . 1 . 2 ]" 2
79 1 10 C H1' 1 10 C H5 7.500 3.000 7.500 5.292 5.260 5.320 . 0 0 "[ . 1 . 2 ]" 2
80 1 11 G H1' 1 11 G H2' 3.300 . 3.300 2.734 2.719 2.753 . 0 0 "[ . 1 . 2 ]" 2
81 1 11 G H2' 1 12 U H6 5.500 . 5.500 2.379 2.347 2.749 . 0 0 "[ . 1 . 2 ]" 2
82 1 11 G H2' 1 11 G H3' 3.300 . 3.300 2.363 2.354 2.367 . 0 0 "[ . 1 . 2 ]" 2
83 1 11 G H3' 1 12 U H5 5.500 . 5.500 3.432 2.791 4.235 . 0 0 "[ . 1 . 2 ]" 2
84 1 11 G H3' 1 11 G H8 3.300 . 3.300 3.269 2.847 3.323 0.023 15 0 "[ . 1 . 2 ]" 2
85 1 11 G H3' 1 12 U H6 5.500 . 5.500 2.829 2.348 3.187 . 0 0 "[ . 1 . 2 ]" 2
86 1 11 G H1' 1 11 G H8 . 3.400 3.800 3.679 3.650 3.781 . 0 0 "[ . 1 . 2 ]" 2
87 1 10 C H6 1 11 G H8 7.500 3.000 7.500 4.037 3.581 5.206 . 0 0 "[ . 1 . 2 ]" 2
88 1 10 C H5 1 11 G H8 7.500 3.000 7.500 4.375 3.776 5.925 . 0 0 "[ . 1 . 2 ]" 2
89 1 12 U H5 1 12 U H6 3.300 . 3.300 2.427 2.425 2.428 . 0 0 "[ . 1 . 2 ]" 2
90 1 9 U H1' 1 12 U H5 5.500 . 5.500 3.301 2.858 4.188 . 0 0 "[ . 1 . 2 ]" 2
91 1 11 G H2' 1 12 U H5 5.500 . 5.500 3.831 3.341 4.322 . 0 0 "[ . 1 . 2 ]" 2
92 1 13 C H1' 2 11 A H2 4.500 . 4.500 4.014 2.715 4.504 0.004 8 0 "[ . 1 . 2 ]" 2
93 1 13 C H1' 1 13 C H2' 3.300 . 3.300 2.807 2.760 2.844 . 0 0 "[ . 1 . 2 ]" 2
94 1 13 C H1' 1 14 G H8 5.500 . 5.500 5.159 4.411 5.507 0.007 21 0 "[ . 1 . 2 ]" 2
95 1 13 C H2' 1 14 G H8 3.300 . 3.300 2.822 2.348 3.284 . 0 0 "[ . 1 . 2 ]" 2
96 1 13 C H5 1 13 C H6 3.300 . 3.300 2.450 2.448 2.451 . 0 0 "[ . 1 . 2 ]" 2
97 1 13 C H5 1 14 G H8 5.500 . 5.500 4.865 4.024 5.500 0.000 14 0 "[ . 1 . 2 ]" 2
98 1 14 G H1' 1 15 G H8 5.500 . 5.500 4.475 3.414 5.514 0.014 16 0 "[ . 1 . 2 ]" 2
99 1 14 G H1' 1 14 G H2' 3.300 . 3.300 2.811 2.748 3.022 . 0 0 "[ . 1 . 2 ]" 2
100 1 14 G H1' 1 15 G H1' 7.500 3.000 7.500 6.763 3.975 7.507 0.007 7 0 "[ . 1 . 2 ]" 2
101 1 15 G H1' 1 16 C H6 5.500 . 5.500 4.426 2.849 5.492 . 0 0 "[ . 1 . 2 ]" 2
102 1 15 G H1' 1 15 G H2' 3.300 . 3.300 2.910 2.727 3.016 . 0 0 "[ . 1 . 2 ]" 2
103 1 15 G H2' 1 16 C H6 3.300 . 3.300 2.857 2.348 3.328 0.028 20 0 "[ . 1 . 2 ]" 2
104 1 15 G H2' 1 15 G H8 5.500 . 5.500 3.504 2.349 4.293 . 0 0 "[ . 1 . 2 ]" 2
105 1 14 G H2' 1 15 G H8 3.300 . 3.300 2.912 2.350 3.321 0.021 15 0 "[ . 1 . 2 ]" 2
106 1 15 G H8 1 16 C H5 7.500 3.000 7.500 5.692 3.830 7.314 . 0 0 "[ . 1 . 2 ]" 2
107 1 16 C H1' 1 16 C H2' 3.300 . 3.300 2.757 2.726 2.842 . 0 0 "[ . 1 . 2 ]" 2
108 1 16 C H1' 1 17 U H6 5.500 . 5.500 5.057 4.726 5.115 . 0 0 "[ . 1 . 2 ]" 2
109 1 16 C H2' 1 17 U H6 3.300 . 3.300 2.348 2.346 2.350 . 0 0 "[ . 1 . 2 ]" 2
110 1 16 C H2' 1 17 U H5 5.500 . 5.500 3.122 2.421 3.368 . 0 0 "[ . 1 . 2 ]" 2
111 1 16 C H5 1 16 C H6 3.300 . 3.300 2.450 2.448 2.453 . 0 0 "[ . 1 . 2 ]" 2
112 1 17 U H5 1 17 U H6 3.300 . 3.300 2.426 2.424 2.428 . 0 0 "[ . 1 . 2 ]" 2
113 1 17 U H1' 1 18 G H8 5.500 . 5.500 5.001 4.749 5.174 . 0 0 "[ . 1 . 2 ]" 2
114 1 17 U H2' 1 18 G H8 3.300 . 3.300 2.353 2.347 2.439 . 0 0 "[ . 1 . 2 ]" 2
115 1 18 G H1' 1 19 C H6 5.500 . 5.500 4.939 4.655 5.078 . 0 0 "[ . 1 . 2 ]" 2
116 1 18 G H1' 1 18 G H2' 3.300 . 3.300 2.767 2.704 2.845 . 0 0 "[ . 1 . 2 ]" 2
117 1 18 G H2' 1 19 C H6 3.300 . 3.300 2.347 2.343 2.349 . 0 0 "[ . 1 . 2 ]" 2
118 1 18 G H2' 1 19 C H5 5.500 . 5.500 3.579 2.784 4.224 . 0 0 "[ . 1 . 2 ]" 2
119 1 18 G H3' 1 18 G H8 3.300 . 3.300 2.966 2.579 3.318 0.018 2 0 "[ . 1 . 2 ]" 2
120 1 18 G H3' 1 19 C H5 5.500 . 5.500 4.020 3.545 4.544 . 0 0 "[ . 1 . 2 ]" 2
121 1 19 C H1' 1 20 U H6 5.500 . 5.500 4.965 4.766 5.117 . 0 0 "[ . 1 . 2 ]" 2
122 1 19 C H1' 1 19 C H2' 3.300 . 3.300 2.774 2.736 2.869 . 0 0 "[ . 1 . 2 ]" 2
123 1 19 C H2' 1 20 U H6 3.300 . 3.300 2.347 2.346 2.348 . 0 0 "[ . 1 . 2 ]" 2
124 1 19 C H5 1 19 C H6 3.300 . 3.300 2.449 2.448 2.451 . 0 0 "[ . 1 . 2 ]" 2
125 1 18 G H8 1 19 C H5 7.500 3.000 7.500 4.930 4.038 5.522 . 0 0 "[ . 1 . 2 ]" 2
126 1 20 U H5 1 20 U H6 3.300 . 3.300 2.425 2.423 2.426 . 0 0 "[ . 1 . 2 ]" 2
127 1 19 C H2' 1 20 U H5 5.500 . 5.500 4.004 3.337 4.429 . 0 0 "[ . 1 . 2 ]" 2
128 1 20 U H1' 1 20 U H2' 3.300 . 3.300 2.818 2.761 2.885 . 0 0 "[ . 1 . 2 ]" 2
129 1 20 U H2' 1 21 C H6 3.300 . 3.300 2.348 2.346 2.349 . 0 0 "[ . 1 . 2 ]" 2
130 1 20 U H6 1 21 C H5 5.500 . 5.500 5.316 4.638 5.505 0.005 16 0 "[ . 1 . 2 ]" 2
131 1 21 C H1' 1 22 A H8 5.500 . 5.500 5.154 4.837 5.377 . 0 0 "[ . 1 . 2 ]" 2
132 1 21 C H1' 1 21 C H2' 3.300 . 3.300 2.851 2.819 2.866 . 0 0 "[ . 1 . 2 ]" 2
133 1 21 C H2' 1 22 A H8 3.300 . 3.300 2.539 2.349 2.768 . 0 0 "[ . 1 . 2 ]" 2
134 1 21 C H3' 1 21 C H6 3.300 . 3.300 3.299 3.229 3.315 0.015 11 0 "[ . 1 . 2 ]" 2
135 1 21 C H3' 1 22 A H8 5.500 . 5.500 4.105 3.844 4.363 . 0 0 "[ . 1 . 2 ]" 2
136 1 21 C H5 1 21 C H6 3.300 . 3.300 2.450 2.448 2.452 . 0 0 "[ . 1 . 2 ]" 2
137 1 20 U H2' 1 21 C H5 5.500 . 5.500 4.029 3.741 4.248 . 0 0 "[ . 1 . 2 ]" 2
138 1 22 A H1' 1 22 A H2 7.500 3.000 7.500 4.530 4.504 4.535 . 0 0 "[ . 1 . 2 ]" 2
139 1 22 A H1' 1 22 A H2' 3.300 . 3.300 2.785 2.764 2.793 . 0 0 "[ . 1 . 2 ]" 2
140 1 1 G H8 1 22 A H2 5.500 . 5.500 5.112 4.339 5.502 0.002 14 0 "[ . 1 . 2 ]" 2
141 1 22 A H2' 1 22 A H3' 3.300 . 3.300 2.347 2.345 2.348 . 0 0 "[ . 1 . 2 ]" 2
142 1 22 A H2' 1 22 A H8 3.300 . 3.300 3.295 3.153 3.308 0.008 7 0 "[ . 1 . 2 ]" 2
143 1 22 A H3' 1 22 A H8 3.300 . 3.300 2.489 2.383 2.542 . 0 0 "[ . 1 . 2 ]" 2
144 1 22 A H4' 1 22 A H8 5.500 . 5.500 4.427 4.355 4.453 . 0 0 "[ . 1 . 2 ]" 2
145 2 1 G H1' 2 2 C H6 5.500 . 5.500 5.041 4.903 5.092 . 0 0 "[ . 1 . 2 ]" 2
146 2 1 G H1' 2 1 G H2' 3.300 . 3.300 2.745 2.724 2.764 . 0 0 "[ . 1 . 2 ]" 2
147 2 1 G H2' 2 2 C H6 3.300 . 3.300 2.351 2.345 2.390 . 0 0 "[ . 1 . 2 ]" 2
148 2 1 G H2' 2 2 C H5 5.500 . 5.500 3.538 2.983 3.827 . 0 0 "[ . 1 . 2 ]" 2
149 2 1 G H1' 2 1 G H4' 5.500 . 5.500 3.431 3.354 3.525 . 0 0 "[ . 1 . 2 ]" 2
150 2 1 G H4' 2 1 G H8 7.500 3.000 7.500 4.373 4.303 4.440 . 0 0 "[ . 1 . 2 ]" 2
151 2 1 G H5'' 2 1 G H8 5.500 . 5.500 4.365 4.191 4.594 . 0 0 "[ . 1 . 2 ]" 2
152 2 1 G H5' 2 1 G H8 5.500 . 5.500 3.608 3.239 3.882 . 0 0 "[ . 1 . 2 ]" 2
153 2 1 G H4' 2 1 G H5'' 3.300 . 3.300 2.454 2.355 2.536 . 0 0 "[ . 1 . 2 ]" 2
154 2 1 G H4' 2 1 G H5' 3.300 . 3.300 2.485 2.403 2.597 . 0 0 "[ . 1 . 2 ]" 2
155 2 1 G H2' 2 1 G H8 5.500 . 5.500 4.151 4.064 4.244 . 0 0 "[ . 1 . 2 ]" 2
156 2 2 C H1' 2 3 G H8 5.500 . 5.500 5.073 5.023 5.095 . 0 0 "[ . 1 . 2 ]" 2
157 2 2 C H1' 2 2 C H2' 3.300 . 3.300 2.742 2.727 2.755 . 0 0 "[ . 1 . 2 ]" 2
158 2 2 C H5 2 2 C H6 3.300 . 3.300 2.450 2.449 2.452 . 0 0 "[ . 1 . 2 ]" 2
159 2 3 G H1' 2 4 G H8 5.500 . 5.500 4.791 4.686 4.867 . 0 0 "[ . 1 . 2 ]" 2
160 2 3 G H1' 2 3 G H2' 3.300 . 3.300 2.729 2.715 2.740 . 0 0 "[ . 1 . 2 ]" 2
161 2 3 G H2' 2 4 G H8 3.300 . 3.300 2.348 2.344 2.349 . 0 0 "[ . 1 . 2 ]" 2
162 2 2 C H2' 2 3 G H8 3.300 . 3.300 2.348 2.346 2.350 . 0 0 "[ . 1 . 2 ]" 2
163 2 4 G H1' 2 5 C H6 5.500 . 5.500 4.903 4.672 5.039 . 0 0 "[ . 1 . 2 ]" 2
164 2 4 G H1' 2 4 G H2' 3.300 . 3.300 2.846 2.833 2.866 . 0 0 "[ . 1 . 2 ]" 2
165 2 4 G H2' 2 5 C H6 3.300 . 3.300 2.347 2.342 2.348 . 0 0 "[ . 1 . 2 ]" 2
166 2 3 G H8 2 4 G H8 5.500 . 5.500 4.715 4.441 4.966 . 0 0 "[ . 1 . 2 ]" 2
167 2 4 G H3' 2 4 G H8 3.300 . 3.300 3.307 3.300 3.317 0.017 10 0 "[ . 1 . 2 ]" 2
168 2 4 G H3' 2 5 C H6 5.500 . 5.500 3.852 3.667 4.022 . 0 0 "[ . 1 . 2 ]" 2
169 2 4 G H8 2 5 C H5 5.500 . 5.500 5.083 4.939 5.268 . 0 0 "[ . 1 . 2 ]" 2
170 2 5 C H1' 2 5 C H2' 3.300 . 3.300 2.763 2.749 2.778 . 0 0 "[ . 1 . 2 ]" 2
171 2 5 C H1' 2 6 A H8 5.500 . 5.500 5.077 4.911 5.186 . 0 0 "[ . 1 . 2 ]" 2
172 2 5 C H2' 2 6 A H8 3.300 . 3.300 2.379 2.348 2.457 . 0 0 "[ . 1 . 2 ]" 2
173 2 5 C H5 2 5 C H6 3.300 . 3.300 2.449 2.447 2.451 . 0 0 "[ . 1 . 2 ]" 2
174 2 4 G H2' 2 5 C H5 3.300 . 3.300 3.171 2.902 3.302 0.002 17 0 "[ . 1 . 2 ]" 2
175 2 5 C H6 2 6 A H8 7.500 3.000 7.500 5.029 4.615 5.235 . 0 0 "[ . 1 . 2 ]" 2
176 2 6 A H1' 2 7 G H8 5.500 . 5.500 4.931 4.740 5.096 . 0 0 "[ . 1 . 2 ]" 2
177 2 6 A H2' 2 7 G H1' 5.500 . 5.500 3.939 3.648 4.388 . 0 0 "[ . 1 . 2 ]" 2
178 2 6 A H1' 2 6 A H2' 3.300 . 3.300 2.771 2.748 2.816 . 0 0 "[ . 1 . 2 ]" 2
179 2 6 A H2 2 17 G H1' 4.500 . 4.500 4.411 4.187 4.522 0.022 11 0 "[ . 1 . 2 ]" 2
180 2 6 A H2 2 17 G H8 5.500 . 5.500 5.420 5.113 5.509 0.009 5 0 "[ . 1 . 2 ]" 2
181 2 6 A H2 2 7 G H1' 4.500 . 4.500 4.126 3.446 4.518 0.018 9 0 "[ . 1 . 2 ]" 2
182 2 6 A H2' 2 7 G H8 3.300 . 3.300 2.348 2.347 2.349 . 0 0 "[ . 1 . 2 ]" 2
183 2 7 G H1' 2 8 U H6 5.500 . 5.500 5.046 4.839 5.174 . 0 0 "[ . 1 . 2 ]" 2
184 2 7 G H1' 2 7 G H2' 3.300 . 3.300 2.820 2.797 2.848 . 0 0 "[ . 1 . 2 ]" 2
185 2 7 G H2' 2 8 U H6 3.300 . 3.300 2.348 2.347 2.349 . 0 0 "[ . 1 . 2 ]" 2
186 2 7 G H8 2 8 U H1' 7.500 3.000 7.500 6.335 5.732 6.901 . 0 0 "[ . 1 . 2 ]" 2
187 2 8 U H6 2 9 U H6 5.500 . 5.500 5.130 3.542 5.498 . 0 0 "[ . 1 . 2 ]" 2
188 2 8 U H1' 2 9 U H6 5.500 . 5.500 5.301 5.101 5.504 0.004 9 0 "[ . 1 . 2 ]" 2
189 2 8 U H1' 2 8 U H2' 3.300 . 3.300 2.816 2.763 2.839 . 0 0 "[ . 1 . 2 ]" 2
190 2 8 U H2' 2 8 U H3' 3.300 . 3.300 2.352 2.348 2.359 . 0 0 "[ . 1 . 2 ]" 2
191 2 8 U H2' 2 8 U H6 5.500 . 5.500 3.816 3.768 3.910 . 0 0 "[ . 1 . 2 ]" 2
192 2 8 U H2' 2 9 U H5 5.500 . 5.500 3.454 2.452 5.246 . 0 0 "[ . 1 . 2 ]" 2
193 2 8 U H2' 2 9 U H6 5.500 . 5.500 2.621 2.350 3.518 . 0 0 "[ . 1 . 2 ]" 2
194 2 8 U H2' 2 8 U H5 7.500 3.000 7.500 5.217 5.176 5.302 . 0 0 "[ . 1 . 2 ]" 2
195 2 8 U H3' 2 8 U H6 3.300 . 3.300 3.240 3.143 3.297 . 0 0 "[ . 1 . 2 ]" 2
196 2 8 U H3' 2 8 U H5 5.500 . 5.500 5.055 4.853 5.145 . 0 0 "[ . 1 . 2 ]" 2
197 2 8 U H3' 2 9 U H5 5.500 . 5.500 3.979 2.672 5.455 . 0 0 "[ . 1 . 2 ]" 2
198 2 8 U H5 2 8 U H6 3.300 . 3.300 2.426 2.425 2.427 . 0 0 "[ . 1 . 2 ]" 2
199 1 11 G H1' 2 14 A H1' 5.500 . 5.500 5.405 5.041 5.509 0.009 8 0 "[ . 1 . 2 ]" 2
200 2 9 U H1' 2 9 U H2' 3.300 . 3.300 2.778 2.755 2.801 . 0 0 "[ . 1 . 2 ]" 2
201 2 9 U H1' 2 12 C H5 5.500 . 5.500 3.044 2.348 3.701 . 0 0 "[ . 1 . 2 ]" 2
202 2 9 U H1' 2 12 C H6 7.500 3.000 7.500 5.257 4.688 5.994 . 0 0 "[ . 1 . 2 ]" 2
203 2 9 U H5 2 9 U H6 3.300 . 3.300 2.427 2.426 2.428 . 0 0 "[ . 1 . 2 ]" 2
204 2 8 U H6 2 9 U H5 5.500 . 5.500 4.243 3.421 5.162 . 0 0 "[ . 1 . 2 ]" 2
205 2 8 U H5 2 9 U H5 5.500 . 5.500 3.961 2.401 4.616 . 0 0 "[ . 1 . 2 ]" 2
206 2 9 U H2' 2 9 U H6 5.500 . 5.500 3.925 3.889 3.952 . 0 0 "[ . 1 . 2 ]" 2
207 2 8 U H3' 2 9 U H6 5.500 . 5.500 3.240 2.784 3.830 . 0 0 "[ . 1 . 2 ]" 2
208 2 8 U H2' 2 14 A H2 5.500 . 5.500 5.515 5.504 5.524 0.024 8 0 "[ . 1 . 2 ]" 2
209 2 8 U H1' 2 14 A H2 7.500 3.000 7.500 5.153 4.614 5.574 . 0 0 "[ . 1 . 2 ]" 2
210 2 10 G H1' 2 11 A H8 5.500 . 5.500 5.104 4.994 5.343 . 0 0 "[ . 1 . 2 ]" 2
211 2 10 G H1' 2 10 G H2' 3.300 . 3.300 2.745 2.719 2.763 . 0 0 "[ . 1 . 2 ]" 2
212 2 10 G H2' 2 10 G H3' 3.300 . 3.300 2.354 2.350 2.357 . 0 0 "[ . 1 . 2 ]" 2
213 2 9 U H1' 2 10 G H2' 7.500 3.000 7.500 6.380 5.640 7.131 . 0 0 "[ . 1 . 2 ]" 2
214 2 9 U H2' 2 10 G H2' 5.500 . 5.500 4.865 4.334 5.249 . 0 0 "[ . 1 . 2 ]" 2
215 2 10 G H2' 2 11 A H8 3.300 . 3.300 2.423 2.348 2.694 . 0 0 "[ . 1 . 2 ]" 2
216 2 10 G H2' 2 11 A H1' 5.500 . 5.500 4.186 3.954 4.393 . 0 0 "[ . 1 . 2 ]" 2
217 2 10 G H4' 2 10 G H8 7.500 3.000 7.500 4.409 4.321 4.473 . 0 0 "[ . 1 . 2 ]" 2
218 2 10 G H1' 2 10 G H4' 5.500 . 5.500 3.431 3.360 3.525 . 0 0 "[ . 1 . 2 ]" 2
219 2 10 G H4' 2 11 A H8 7.500 3.000 7.500 5.115 4.915 5.346 . 0 0 "[ . 1 . 2 ]" 2
220 2 11 A H1' 2 12 C H6 5.500 . 5.500 5.021 4.816 5.102 . 0 0 "[ . 1 . 2 ]" 2
221 2 11 A H1' 2 11 A H2' 3.300 . 3.300 2.749 2.728 2.774 . 0 0 "[ . 1 . 2 ]" 2
222 2 11 A H2' 2 11 A H3' 3.300 . 3.300 2.357 2.352 2.362 . 0 0 "[ . 1 . 2 ]" 2
223 2 11 A H2' 2 12 C H6 3.300 . 3.300 2.351 2.348 2.367 . 0 0 "[ . 1 . 2 ]" 2
224 2 11 A H2' 2 12 C H5 7.500 3.000 7.500 3.944 3.532 4.179 . 0 0 "[ . 1 . 2 ]" 2
225 2 11 A H3' 2 11 A H8 5.500 . 5.500 3.286 3.073 3.423 . 0 0 "[ . 1 . 2 ]" 2
226 2 11 A H3' 2 12 C H6 5.500 . 5.500 3.195 2.856 3.676 . 0 0 "[ . 1 . 2 ]" 2
227 2 11 A H4' 2 11 A H8 5.500 . 5.500 4.357 4.253 4.443 . 0 0 "[ . 1 . 2 ]" 2
228 2 10 G H2' 2 11 A H4' 5.500 . 5.500 5.130 4.767 5.464 . 0 0 "[ . 1 . 2 ]" 2
229 2 11 A H2 2 12 C H1' 4.500 . 4.500 4.007 2.937 4.508 0.008 14 0 "[ . 1 . 2 ]" 2
230 2 11 A H2 2 12 C H6 7.500 3.000 7.500 5.017 4.283 5.617 . 0 0 "[ . 1 . 2 ]" 2
231 2 9 U H1' 2 11 A H8 5.500 . 5.500 4.421 3.662 5.359 . 0 0 "[ . 1 . 2 ]" 2
232 2 9 U H2' 2 11 A H8 3.300 . 3.300 3.255 2.789 3.305 0.005 5 0 "[ . 1 . 2 ]" 2
233 2 10 G H3' 2 11 A H8 3.300 . 3.300 2.532 2.349 2.865 . 0 0 "[ . 1 . 2 ]" 2
234 2 10 G H8 2 11 A H8 5.500 . 5.500 5.480 5.263 5.514 0.014 18 0 "[ . 1 . 2 ]" 2
235 2 11 A H8 2 12 C H5 7.500 3.000 7.500 4.772 3.990 5.401 . 0 0 "[ . 1 . 2 ]" 2
236 2 12 C H1' 2 12 C H2' 3.300 . 3.300 2.830 2.755 2.861 . 0 0 "[ . 1 . 2 ]" 2
237 2 12 C H1' 2 13 U H6 7.500 3.000 7.500 4.604 3.322 6.198 . 0 0 "[ . 1 . 2 ]" 2
238 2 12 C H2' 2 14 A H8 5.500 . 5.500 3.576 2.985 4.417 . 0 0 "[ . 1 . 2 ]" 2
239 2 12 C H2' 2 12 C H6 5.500 . 5.500 3.816 3.705 3.973 . 0 0 "[ . 1 . 2 ]" 2
240 2 12 C H4' 2 13 U H5 7.500 3.000 7.500 4.772 3.003 6.958 . 0 0 "[ . 1 . 2 ]" 2
241 2 12 C H4' 2 13 U H6 7.500 3.000 7.500 4.889 3.832 6.752 . 0 0 "[ . 1 . 2 ]" 2
242 2 12 C H5 2 12 C H6 3.300 . 3.300 2.450 2.448 2.452 . 0 0 "[ . 1 . 2 ]" 2
243 2 12 C H5 2 14 A H2 7.500 3.000 7.500 5.244 4.627 6.171 . 0 0 "[ . 1 . 2 ]" 2
244 2 13 U H1' 2 13 U H2' 3.300 . 3.300 2.955 2.842 3.029 . 0 0 "[ . 1 . 2 ]" 2
245 2 13 U H1' 2 13 U H5'' 5.500 . 5.500 4.757 4.167 5.050 . 0 0 "[ . 1 . 2 ]" 2
246 2 13 U H1' 2 13 U H5' 5.500 . 5.500 4.829 4.177 5.124 . 0 0 "[ . 1 . 2 ]" 2
247 2 13 U H1' 2 14 A H8 7.500 3.000 7.500 5.962 5.026 6.644 . 0 0 "[ . 1 . 2 ]" 2
248 2 13 U H1' 2 13 U H5 5.500 . 5.500 5.314 5.060 5.412 . 0 0 "[ . 1 . 2 ]" 2
249 2 13 U H2' 2 13 U H3' 3.300 . 3.300 2.364 2.327 2.409 . 0 0 "[ . 1 . 2 ]" 2
250 2 13 U H2' 2 13 U H6 3.300 . 3.300 3.161 2.348 3.366 0.066 10 0 "[ . 1 . 2 ]" 2
251 2 13 U H2' 2 14 A H8 5.500 . 5.500 3.939 2.349 5.358 . 0 0 "[ . 1 . 2 ]" 2
252 2 13 U H3' 2 14 A H8 3.300 . 3.300 2.454 2.347 3.119 . 0 0 "[ . 1 . 2 ]" 2
253 2 13 U H3' 2 14 A H1' 5.500 . 5.500 5.207 4.276 5.523 0.023 4 0 "[ . 1 . 2 ]" 2
254 2 12 C H2' 2 13 U H3' 7.500 3.000 7.500 4.895 4.170 5.454 . 0 0 "[ . 1 . 2 ]" 2
255 2 13 U H4' 2 14 A H8 7.500 3.000 7.500 4.782 4.188 5.265 . 0 0 "[ . 1 . 2 ]" 2
256 2 13 U H3' 2 13 U H4' 5.500 . 5.500 2.925 2.719 3.049 . 0 0 "[ . 1 . 2 ]" 2
257 2 13 U H4' 2 13 U H5'' 3.300 . 3.300 2.785 2.352 3.050 . 0 0 "[ . 1 . 2 ]" 2
258 2 13 U H4' 2 13 U H5' 3.300 . 3.300 2.490 2.382 3.022 . 0 0 "[ . 1 . 2 ]" 2
259 2 13 U H4' 2 13 U H6 7.500 3.000 7.500 4.480 3.939 5.685 . 0 0 "[ . 1 . 2 ]" 2
260 2 13 U H5 2 13 U H6 3.300 . 3.300 2.423 2.409 2.428 . 0 0 "[ . 1 . 2 ]" 2
261 2 13 U H2' 2 13 U H5 5.500 . 5.500 4.801 4.372 4.941 . 0 0 "[ . 1 . 2 ]" 2
262 2 12 C H1' 2 13 U H5 5.500 . 5.500 4.164 2.581 5.398 . 0 0 "[ . 1 . 2 ]" 2
263 2 13 U H3' 2 13 U H6 5.500 . 5.500 3.862 2.790 4.737 . 0 0 "[ . 1 . 2 ]" 2
264 2 13 U H6 2 14 A H8 5.500 . 5.500 4.903 3.841 5.504 0.004 4 0 "[ . 1 . 2 ]" 2
265 2 14 A H1' 2 15 C H6 5.500 . 5.500 4.803 4.280 5.055 . 0 0 "[ . 1 . 2 ]" 2
266 2 14 A H1' 2 14 A H2' 3.300 . 3.300 2.796 2.737 2.939 . 0 0 "[ . 1 . 2 ]" 2
267 2 14 A H2 2 15 C H1' 4.500 3.000 4.500 4.143 3.290 4.506 0.006 11 0 "[ . 1 . 2 ]" 2
268 2 14 A H2' 2 15 C H5 5.500 . 5.500 3.104 2.646 3.507 . 0 0 "[ . 1 . 2 ]" 2
269 2 14 A H2' 2 15 C H6 3.300 . 3.300 2.377 2.347 2.847 . 0 0 "[ . 1 . 2 ]" 2
270 2 13 U H5'' 2 14 A H8 5.500 . 5.500 3.213 2.348 5.508 0.008 18 0 "[ . 1 . 2 ]" 2
271 2 13 U H5' 2 14 A H8 5.500 . 5.500 3.808 2.356 5.305 . 0 0 "[ . 1 . 2 ]" 2
272 2 9 U H1' 2 14 A H2 7.500 3.000 7.500 6.212 5.039 7.503 0.003 4 0 "[ . 1 . 2 ]" 2
273 2 14 A H1' 2 14 A H4' 7.500 3.000 7.500 3.301 3.044 3.841 . 0 0 "[ . 1 . 2 ]" 2
274 2 14 A H4' 2 14 A H8 7.500 3.000 7.500 4.447 4.207 4.571 . 0 0 "[ . 1 . 2 ]" 2
275 2 14 A H4' 2 15 C H6 7.500 3.000 7.500 5.154 4.923 5.406 . 0 0 "[ . 1 . 2 ]" 2
276 2 14 A H4' 2 15 C H5 7.500 3.000 7.500 6.116 5.189 6.482 . 0 0 "[ . 1 . 2 ]" 2
277 2 15 C H1' 2 16 U H6 5.500 . 5.500 5.039 4.890 5.086 . 0 0 "[ . 1 . 2 ]" 2
278 2 15 C H1' 2 15 C H2' 3.300 . 3.300 2.719 2.707 2.740 . 0 0 "[ . 1 . 2 ]" 2
279 2 14 A H2' 2 15 C H1' 5.500 . 5.500 4.495 4.146 4.914 . 0 0 "[ . 1 . 2 ]" 2
280 2 15 C H2' 2 16 U H6 3.300 . 3.300 2.349 2.345 2.365 . 0 0 "[ . 1 . 2 ]" 2
281 1 10 C H5 2 15 C H4' 7.500 3.000 7.500 5.068 3.593 6.707 . 0 0 "[ . 1 . 2 ]" 2
282 1 10 C H6 2 15 C H4' 7.500 3.000 7.500 4.880 3.337 6.784 . 0 0 "[ . 1 . 2 ]" 2
283 1 10 C H1' 2 15 C H4' 5.500 . 5.500 3.776 2.687 5.502 0.002 9 0 "[ . 1 . 2 ]" 2
284 2 14 A H2' 2 15 C H4' 7.500 3.000 7.500 5.241 4.879 6.034 . 0 0 "[ . 1 . 2 ]" 2
285 2 15 C H5 2 15 C H6 3.300 . 3.300 2.450 2.449 2.451 . 0 0 "[ . 1 . 2 ]" 2
286 2 16 U H1' 2 16 U H2' 3.300 . 3.300 2.763 2.735 2.831 . 0 0 "[ . 1 . 2 ]" 2
287 2 16 U H1' 2 17 G H8 5.500 . 5.500 5.097 4.999 5.312 . 0 0 "[ . 1 . 2 ]" 2
288 2 16 U H2' 2 17 G H8 3.300 . 3.300 2.358 2.347 2.553 . 0 0 "[ . 1 . 2 ]" 2
289 2 16 U H5 2 16 U H6 3.300 . 3.300 2.427 2.425 2.428 . 0 0 "[ . 1 . 2 ]" 2
290 2 15 C H2' 2 16 U H5 5.500 . 5.500 3.833 3.328 4.255 . 0 0 "[ . 1 . 2 ]" 2
291 2 17 G H1' 2 18 U H6 5.500 . 5.500 4.754 4.641 4.954 . 0 0 "[ . 1 . 2 ]" 2
292 2 17 G H1' 2 17 G H2' 3.300 . 3.300 2.734 2.718 2.749 . 0 0 "[ . 1 . 2 ]" 2
293 2 17 G H2' 2 18 U H6 3.300 . 3.300 2.348 2.346 2.349 . 0 0 "[ . 1 . 2 ]" 2
294 2 18 U H1' 2 18 U H2' 3.300 . 3.300 2.859 2.806 2.883 . 0 0 "[ . 1 . 2 ]" 2
295 2 18 U H1' 2 19 C H6 5.500 . 5.500 4.180 3.935 4.581 . 0 0 "[ . 1 . 2 ]" 2
296 2 18 U H2' 2 19 C H6 5.500 . 5.500 2.347 2.341 2.349 . 0 0 "[ . 1 . 2 ]" 2
297 2 18 U H2' 2 19 C H5 5.500 . 5.500 2.467 2.348 2.911 . 0 0 "[ . 1 . 2 ]" 2
298 2 18 U H5 2 18 U H6 3.300 . 3.300 2.428 2.426 2.429 . 0 0 "[ . 1 . 2 ]" 2
299 2 17 G H2' 2 18 U H5 5.500 . 5.500 4.423 4.328 4.488 . 0 0 "[ . 1 . 2 ]" 2
300 2 19 C H1' 2 20 G H8 5.500 . 5.500 4.961 4.852 5.062 . 0 0 "[ . 1 . 2 ]" 2
301 2 19 C H5 2 19 C H6 3.300 . 3.300 2.452 2.450 2.453 . 0 0 "[ . 1 . 2 ]" 2
302 2 19 C H6 2 20 G H8 7.500 3.000 7.500 5.087 4.737 5.513 . 0 0 "[ . 1 . 2 ]" 2
303 2 20 G H1' 2 20 G H2' 3.300 . 3.300 2.818 2.782 2.855 . 0 0 "[ . 1 . 2 ]" 2
304 2 20 G H2' 2 21 C H6 5.500 . 5.500 2.348 2.347 2.350 . 0 0 "[ . 1 . 2 ]" 2
305 2 20 G H2' 2 21 C H5 7.500 3.000 7.500 4.056 3.752 4.211 . 0 0 "[ . 1 . 2 ]" 2
306 2 21 C H1' 2 21 C H2' 3.300 . 3.300 2.828 2.780 2.847 . 0 0 "[ . 1 . 2 ]" 2
307 2 21 C H3' 2 21 C H5 5.500 . 5.500 5.084 4.804 5.172 . 0 0 "[ . 1 . 2 ]" 2
308 2 21 C H3' 2 21 C H6 3.300 . 3.300 3.223 3.008 3.291 . 0 0 "[ . 1 . 2 ]" 2
309 2 21 C H2' 2 21 C H3' 3.300 . 3.300 2.346 2.345 2.347 . 0 0 "[ . 1 . 2 ]" 2
310 2 21 C H2' 2 21 C H6 5.500 . 5.500 3.804 3.755 3.837 . 0 0 "[ . 1 . 2 ]" 2
311 2 21 C H4' 2 21 C H6 5.500 . 5.502 4.228 4.106 4.252 . 0 0 "[ . 1 . 2 ]" 2
312 2 21 C H5 2 21 C H6 3.300 . 3.300 2.450 2.448 2.452 . 0 0 "[ . 1 . 2 ]" 2
313 2 21 C H2' 2 21 C H5 5.500 . 5.500 5.204 5.164 5.241 . 0 0 "[ . 1 . 2 ]" 2
314 1 1 G H1 1 21 C H42 5.500 . 5.500 4.028 3.947 4.094 . 0 0 "[ . 1 . 2 ]" 2
315 1 1 G H1 1 21 C H41 5.500 . 5.500 2.727 2.633 2.767 . 0 0 "[ . 1 . 2 ]" 2
316 1 1 G H1 1 21 C H5 7.500 3.000 7.500 4.892 4.845 4.975 . 0 0 "[ . 1 . 2 ]" 2
317 1 1 G Q2 1 2 A H1' 4.500 . 4.500 3.006 2.213 3.948 . 0 0 "[ . 1 . 2 ]" 2
318 1 1 G Q2 1 22 A H1' 4.500 . 4.500 3.839 3.393 4.011 . 0 0 "[ . 1 . 2 ]" 2
319 1 1 G Q2 1 2 A H2 5.500 . 5.500 3.517 2.725 4.345 . 0 0 "[ . 1 . 2 ]" 2
320 1 1 G H1 1 22 A H2 5.500 . 5.500 4.306 3.193 4.909 . 0 0 "[ . 1 . 2 ]" 2
321 1 3 G H1 1 19 C H42 5.500 . 5.500 3.915 3.832 4.067 . 0 0 "[ . 1 . 2 ]" 2
322 1 3 G H1 1 19 C H41 5.500 . 5.500 2.473 2.309 2.714 . 0 0 "[ . 1 . 2 ]" 2
323 1 3 G H1 1 4 C H42 5.500 . 5.500 5.334 4.472 5.504 0.004 1 0 "[ . 1 . 2 ]" 2
324 1 3 G Q2 1 20 U H1' 4.500 . 4.500 3.218 2.067 4.013 . 0 0 "[ . 1 . 2 ]" 2
325 1 3 G Q2 1 4 C H1' 4.500 . 4.500 3.790 3.234 4.024 . 0 0 "[ . 1 . 2 ]" 2
326 1 3 G H1 1 19 C H5 7.500 3.000 7.500 4.929 4.894 4.980 . 0 0 "[ . 1 . 2 ]" 2
327 1 2 A H2 1 3 G H1 7.500 3.000 7.500 5.920 4.453 7.025 . 0 0 "[ . 1 . 2 ]" 2
328 1 3 G H1 1 18 G H1 7.500 3.000 7.500 4.737 3.786 6.008 . 0 0 "[ . 1 . 2 ]" 2
329 1 3 G H1 1 4 C H41 7.500 3.000 7.500 5.084 4.354 5.369 . 0 0 "[ . 1 . 2 ]" 2
330 1 3 G H1 1 20 U H5 7.500 3.000 7.500 5.548 4.283 6.416 . 0 0 "[ . 1 . 2 ]" 2
331 1 6 G H1 1 16 C H5 7.500 3.000 7.500 4.943 4.881 4.989 . 0 0 "[ . 1 . 2 ]" 2
332 1 6 G H1 1 17 U H5 7.500 3.000 7.500 5.527 4.140 6.424 . 0 0 "[ . 1 . 2 ]" 2
333 1 6 G H1 1 16 C H41 5.500 . 5.500 2.340 2.270 2.480 . 0 0 "[ . 1 . 2 ]" 2
334 1 6 G H1 1 16 C H42 5.500 . 5.500 3.855 3.808 3.891 . 0 0 "[ . 1 . 2 ]" 2
335 1 5 A H2 1 6 G Q2 5.500 . 5.500 4.907 4.900 4.914 . 0 0 "[ . 1 . 2 ]" 2
336 1 6 G Q2 1 17 U H1' 4.500 . 4.500 3.217 2.544 3.996 . 0 0 "[ . 1 . 2 ]" 2
337 1 6 G Q2 1 7 C H1' 4.500 . 4.500 3.889 3.251 4.025 . 0 0 "[ . 1 . 2 ]" 2
338 1 6 G H1 1 17 U H3 7.500 3.000 7.500 4.745 4.020 5.414 . 0 0 "[ . 1 . 2 ]" 2
339 1 6 G H1 1 7 C H41 7.500 3.000 7.500 5.417 4.074 7.021 . 0 0 "[ . 1 . 2 ]" 2
340 1 6 G H1 1 7 C H42 7.500 3.000 7.500 5.617 4.134 7.026 . 0 0 "[ . 1 . 2 ]" 2
341 1 10 C Q4 1 10 C H5 3.300 . 3.300 2.378 2.376 2.381 . 0 0 "[ . 1 . 2 ]" 2
342 1 11 G Q2 1 12 U H1' 4.500 . 4.500 3.579 2.565 4.016 . 0 0 "[ . 1 . 2 ]" 2
343 1 12 U H3 1 13 C H41 7.500 3.000 7.500 5.402 4.984 5.774 . 0 0 "[ . 1 . 2 ]" 2
344 1 12 U H3 1 13 C H42 7.500 3.000 7.500 5.200 4.646 5.669 . 0 0 "[ . 1 . 2 ]" 2
345 1 12 U H3 1 13 C H5 7.500 3.000 7.500 4.861 4.304 5.398 . 0 0 "[ . 1 . 2 ]" 2
346 1 11 G H1 1 12 U H3 7.500 3.000 7.500 4.171 3.733 4.685 . 0 0 "[ . 1 . 2 ]" 2
347 1 12 U H3 1 13 C H1' 7.500 3.000 7.500 5.592 4.163 6.846 . 0 0 "[ . 1 . 2 ]" 2
348 1 4 C H41 1 17 U H3 7.500 3.000 7.500 4.874 4.055 5.825 . 0 0 "[ . 1 . 2 ]" 2
349 1 16 C H41 1 17 U H3 7.500 3.000 7.500 5.390 4.877 6.886 . 0 0 "[ . 1 . 2 ]" 2
350 1 5 A H2 1 17 U H3 3.300 . 3.300 2.683 2.603 2.880 . 0 0 "[ . 1 . 2 ]" 2
351 1 17 U H1' 1 17 U H3 7.500 3.000 7.500 4.627 4.614 4.634 . 0 0 "[ . 1 . 2 ]" 2
352 1 17 U H3 1 17 U H5 7.500 3.000 7.500 4.214 4.209 4.216 . 0 0 "[ . 1 . 2 ]" 2
353 1 17 U H3 1 18 G H1' 7.500 3.000 7.500 5.693 4.822 6.517 . 0 0 "[ . 1 . 2 ]" 2
354 1 17 U H3 1 18 G H1 7.500 3.000 7.500 4.536 3.609 5.570 . 0 0 "[ . 1 . 2 ]" 2
355 1 4 C H41 1 18 G H1 5.500 . 5.500 2.456 2.221 2.657 . 0 0 "[ . 1 . 2 ]" 2
356 1 4 C H42 1 18 G H1 5.500 . 5.500 3.931 3.781 4.062 . 0 0 "[ . 1 . 2 ]" 2
357 1 18 G Q2 1 19 C H1' 4.500 . 4.500 3.991 3.503 4.021 . 0 0 "[ . 1 . 2 ]" 2
358 1 5 A H1' 1 18 G Q2 4.500 . 4.500 3.299 2.483 4.016 . 0 0 "[ . 1 . 2 ]" 2
359 1 18 G H1 1 19 C H41 7.500 3.000 7.500 5.345 4.488 5.979 . 0 0 "[ . 1 . 2 ]" 2
360 1 18 G H1 1 19 C H42 7.500 3.000 7.500 5.729 4.985 6.332 . 0 0 "[ . 1 . 2 ]" 2
361 1 4 C H5 1 18 G H1 7.500 3.000 7.500 4.965 4.857 5.041 . 0 0 "[ . 1 . 2 ]" 2
362 1 5 A H2 1 18 G H1 7.500 3.000 7.500 4.259 3.487 4.918 . 0 0 "[ . 1 . 2 ]" 2
363 1 19 C H41 1 20 U H5 7.500 3.000 7.500 5.048 4.045 6.300 . 0 0 "[ . 1 . 2 ]" 2
364 1 19 C H42 1 20 U H5 7.500 3.000 7.500 5.040 3.790 6.684 . 0 0 "[ . 1 . 2 ]" 2
365 1 4 C H41 1 19 C H41 7.500 3.000 7.500 4.994 3.757 5.763 . 0 0 "[ . 1 . 2 ]" 2
366 1 2 A H2 1 20 U H3 3.300 . 3.300 2.829 2.686 2.915 . 0 0 "[ . 1 . 2 ]" 2
367 1 20 U H3 1 21 C H42 7.500 3.000 7.500 5.407 5.052 5.727 . 0 0 "[ . 1 . 2 ]" 2
368 1 20 U H3 1 21 C H41 7.500 3.000 7.500 5.651 5.219 6.054 . 0 0 "[ . 1 . 2 ]" 2
369 1 19 C H42 1 20 U H3 7.500 3.000 7.500 6.100 4.728 7.506 0.006 4 0 "[ . 1 . 2 ]" 2
370 1 3 G H1 1 20 U H3 7.500 3.000 7.500 4.741 3.711 6.087 . 0 0 "[ . 1 . 2 ]" 2
371 1 19 C H41 1 20 U H3 7.500 3.000 7.500 4.935 3.528 6.221 . 0 0 "[ . 1 . 2 ]" 2
372 1 1 G H1 1 20 U H3 7.500 3.000 7.500 4.736 4.073 5.476 . 0 0 "[ . 1 . 2 ]" 2
373 1 20 U H3 1 21 C H1' 5.500 . 5.500 5.177 4.609 5.512 0.012 14 0 "[ . 1 . 2 ]" 2
374 1 20 U H3 1 21 C H5 5.500 . 5.500 4.787 4.505 5.061 . 0 0 "[ . 1 . 2 ]" 2
375 1 20 U H3 1 21 C H6 7.500 3.000 7.500 4.846 4.387 5.133 . 0 0 "[ . 1 . 2 ]" 2
376 1 20 U H5 1 21 C H41 7.500 3.000 7.500 7.080 6.207 7.491 . 0 0 "[ . 1 . 2 ]" 2
377 1 20 U H5 1 21 C H42 7.500 3.000 7.500 5.845 4.880 6.204 . 0 0 "[ . 1 . 2 ]" 2
378 1 21 C H41 1 22 A Q6 7.500 3.000 7.500 3.092 2.686 3.661 0.314 1 0 "[ . 1 . 2 ]" 2
379 1 21 C H42 1 22 A Q6 7.500 3.000 7.500 3.905 3.307 4.438 . 0 0 "[ . 1 . 2 ]" 2
380 2 3 G H1 2 19 C H42 5.500 . 5.500 3.851 3.807 3.891 . 0 0 "[ . 1 . 2 ]" 2
381 2 3 G H1 2 19 C H41 5.500 . 5.500 2.407 2.328 2.508 . 0 0 "[ . 1 . 2 ]" 2
382 2 3 G H1 2 19 C H5 5.500 . 5.500 4.879 4.811 4.941 . 0 0 "[ . 1 . 2 ]" 2
383 2 3 G Q2 2 4 G H1' 4.500 . 4.500 3.995 3.868 4.016 . 0 0 "[ . 1 . 2 ]" 2
384 2 3 G Q2 2 20 G H1' 4.500 . 4.500 3.396 2.961 4.010 . 0 0 "[ . 1 . 2 ]" 2
385 2 3 G H1 2 4 G H1 7.500 3.000 7.500 4.598 4.237 5.099 . 0 0 "[ . 1 . 2 ]" 2
386 2 3 G H1 2 20 G H1 7.500 3.000 7.500 3.550 3.357 3.910 . 0 0 "[ . 1 . 2 ]" 2
387 2 3 G H1 2 18 U H3 7.500 3.000 7.500 5.375 5.049 5.786 . 0 0 "[ . 1 . 2 ]" 2
388 2 4 G H1 2 5 C H42 7.500 3.000 7.500 6.252 6.039 6.422 . 0 0 "[ . 1 . 2 ]" 2
389 2 4 G H1 2 5 C H41 7.500 3.000 7.500 6.019 5.808 6.362 . 0 0 "[ . 1 . 2 ]" 2
390 2 4 G H1 2 19 C H41 7.500 3.000 7.500 4.633 4.252 5.447 . 0 0 "[ . 1 . 2 ]" 2
391 2 4 G H1 2 19 C H42 7.500 3.000 7.500 4.186 3.749 5.209 . 0 0 "[ . 1 . 2 ]" 2
392 2 4 G H1 2 19 C H5 7.500 3.000 7.500 3.516 3.157 4.490 . 0 0 "[ . 1 . 2 ]" 2
393 2 4 G H1 2 4 G Q2 3.300 . 3.300 2.191 2.189 2.195 . 0 0 "[ . 1 . 2 ]" 2
394 2 4 G H1 2 18 U H1' 5.500 . 5.500 4.262 4.101 4.352 . 0 0 "[ . 1 . 2 ]" 2
395 2 4 G Q2 2 19 C H1' 4.600 . 4.600 3.660 3.463 3.933 . 0 0 "[ . 1 . 2 ]" 2
396 2 4 G Q2 2 19 C H6 7.500 3.000 7.500 3.835 3.593 4.512 . 0 0 "[ . 1 . 2 ]" 2
397 2 4 G Q2 2 5 C H1' 4.600 . 4.600 4.099 4.079 4.107 . 0 0 "[ . 1 . 2 ]" 2
398 2 4 G Q2 2 18 U H1' 4.600 . 4.600 3.990 3.895 4.072 . 0 0 "[ . 1 . 2 ]" 2
399 2 7 G H1 2 15 C H42 5.500 . 5.500 3.850 3.743 3.925 . 0 0 "[ . 1 . 2 ]" 2
400 2 7 G H1 2 15 C H41 5.500 . 5.500 2.357 2.287 2.512 . 0 0 "[ . 1 . 2 ]" 2
401 2 7 G H1 2 15 C H5 7.500 3.000 7.500 4.926 4.779 4.982 . 0 0 "[ . 1 . 2 ]" 2
402 2 7 G Q2 2 16 U H1' 4.500 . 4.500 3.051 2.167 4.010 . 0 0 "[ . 1 . 2 ]" 2
403 2 7 G H1 2 16 U H3 5.500 . 5.500 5.090 3.741 5.485 . 0 0 "[ . 1 . 2 ]" 2
404 2 7 G H1 2 15 C H2' 5.500 . 5.500 5.038 4.696 5.434 . 0 0 "[ . 1 . 2 ]" 2
405 2 7 G H1 2 16 U H5 5.500 . 5.500 5.275 4.684 5.500 0.000 11 0 "[ . 1 . 2 ]" 2
406 2 10 G Q2 2 11 A H1' 4.500 . 4.500 3.611 3.000 3.992 . 0 0 "[ . 1 . 2 ]" 2
407 2 10 G Q2 2 11 A H2 5.500 . 5.500 4.680 4.040 4.912 . 0 0 "[ . 1 . 2 ]" 2
408 2 12 C H42 2 14 A H2 5.500 . 5.500 3.812 3.146 4.661 . 0 0 "[ . 1 . 2 ]" 2
409 2 12 C H41 2 14 A H2 5.500 . 5.500 2.979 1.988 4.074 . 0 0 "[ . 1 . 2 ]" 2
410 2 16 U H1' 2 16 U H3 7.500 3.000 7.500 4.628 4.608 4.631 . 0 0 "[ . 1 . 2 ]" 2
411 2 16 U H3 2 17 G H8 7.500 3.000 7.500 5.343 5.196 5.525 . 0 0 "[ . 1 . 2 ]" 2
412 2 6 A H2 2 16 U H3 3.300 . 3.300 2.808 2.645 2.958 . 0 0 "[ . 1 . 2 ]" 2
413 2 16 U H3 2 17 G H1 7.500 3.000 7.500 4.273 4.055 4.782 . 0 0 "[ . 1 . 2 ]" 2
414 2 5 C H41 2 17 G H1 5.500 . 5.500 2.460 2.331 2.525 . 0 0 "[ . 1 . 2 ]" 2
415 2 5 C H42 2 17 G H1 5.500 . 5.500 3.893 3.865 3.918 . 0 0 "[ . 1 . 2 ]" 2
416 2 5 C H5 2 17 G H1 5.500 . 5.500 4.906 4.891 4.956 . 0 0 "[ . 1 . 2 ]" 2
417 2 17 G Q2 2 18 U H1' 4.500 . 4.500 3.994 3.886 4.024 . 0 0 "[ . 1 . 2 ]" 2
418 2 6 A H1' 2 17 G Q2 4.500 . 4.500 3.600 3.067 4.009 . 0 0 "[ . 1 . 2 ]" 2
419 2 6 A H2 2 17 G H1 7.500 3.000 7.500 3.733 3.342 4.195 . 0 0 "[ . 1 . 2 ]" 2
420 2 17 G H1 2 18 U H3 7.500 3.000 7.500 5.101 4.811 5.724 . 0 0 "[ . 1 . 2 ]" 2
421 2 4 G H1 2 17 G H1 7.500 3.000 7.500 5.082 4.699 5.816 . 0 0 "[ . 1 . 2 ]" 2
422 2 18 U H3 2 19 C H41 7.500 3.000 7.500 4.223 4.071 4.843 . 0 0 "[ . 1 . 2 ]" 2
423 2 18 U H3 2 19 C H5 7.500 3.000 7.500 3.214 2.998 3.806 0.002 8 0 "[ . 1 . 2 ]" 2
424 2 18 U H1' 2 18 U H3 7.500 3.000 7.500 4.636 4.614 4.657 . 0 0 "[ . 1 . 2 ]" 2
425 2 18 U H3 2 19 C H42 7.500 3.000 7.500 3.123 2.990 3.919 0.010 3 0 "[ . 1 . 2 ]" 2
426 2 5 C H42 2 18 U H3 7.500 3.000 7.500 5.858 5.432 6.104 . 0 0 "[ . 1 . 2 ]" 2
427 2 4 G H1 2 18 U H3 3.300 . 3.300 2.556 2.349 2.901 . 0 0 "[ . 1 . 2 ]" 2
428 2 4 G Q2 2 18 U H3 5.500 . 5.500 4.477 4.271 4.826 . 0 0 "[ . 1 . 2 ]" 2
429 2 5 C H41 2 18 U H3 7.500 3.000 7.500 5.479 5.067 5.832 . 0 0 "[ . 1 . 2 ]" 2
430 2 2 C H42 2 20 G H1 5.500 . 5.500 3.833 3.761 3.944 . 0 0 "[ . 1 . 2 ]" 2
431 2 2 C H41 2 20 G H1 5.500 . 5.500 2.327 2.214 2.486 . 0 0 "[ . 1 . 2 ]" 2
432 2 20 G Q2 2 21 C H1' 4.500 . 4.500 4.016 3.983 4.025 . 0 0 "[ . 1 . 2 ]" 2
433 2 3 G H1' 2 20 G Q2 4.500 . 4.500 3.889 3.410 4.019 . 0 0 "[ . 1 . 2 ]" 2
434 2 2 C H5 2 20 G H1 7.500 3.000 7.500 4.934 4.887 4.998 . 0 0 "[ . 1 . 2 ]" 2
435 1 10 C Q4 2 15 C H1' 3.300 . 3.300 2.693 2.178 2.947 . 0 0 "[ . 1 . 2 ]" 2
436 1 10 C Q4 2 14 A H2 3.300 . 3.300 2.856 2.218 2.946 . 0 0 "[ . 1 . 2 ]" 2
437 1 10 C Q4 2 14 A H1' 4.500 . 4.500 3.147 2.379 4.010 . 0 0 "[ . 1 . 2 ]" 2
438 1 11 G H1 2 12 C H41 5.500 . 5.500 2.430 2.195 2.669 . 0 0 "[ . 1 . 2 ]" 2
439 1 11 G H1 2 12 C H42 5.500 . 5.500 3.881 3.754 4.017 . 0 0 "[ . 1 . 2 ]" 2
440 1 11 G H1 2 12 C H5 7.500 3.000 7.500 4.916 4.886 5.039 . 0 0 "[ . 1 . 2 ]" 2
441 1 11 G H1 2 14 A H2 5.500 . 5.500 3.943 3.014 4.710 . 0 0 "[ . 1 . 2 ]" 2
442 1 11 G Q2 2 14 A H1' 5.500 . 5.500 2.492 2.098 3.292 . 0 0 "[ . 1 . 2 ]" 2
443 1 11 G Q2 2 15 C H1' 7.500 3.000 7.500 6.630 5.966 6.697 . 0 0 "[ . 1 . 2 ]" 2
444 1 11 G H1 2 11 A H2 5.500 . 5.500 5.341 4.819 5.513 0.013 11 0 "[ . 1 . 2 ]" 2
445 1 12 U H3 2 10 G H1 7.500 3.000 7.500 5.077 4.220 5.764 . 0 0 "[ . 1 . 2 ]" 2
446 1 12 U H3 2 12 C H41 7.500 3.000 7.500 5.002 4.034 5.920 . 0 0 "[ . 1 . 2 ]" 2
447 1 12 U H3 2 12 C H1' 7.500 3.000 7.500 5.826 5.069 6.402 . 0 0 "[ . 1 . 2 ]" 2
448 1 12 U H3 2 11 A H2 3.300 . 3.300 2.798 2.674 2.928 . 0 0 "[ . 1 . 2 ]" 2
449 1 13 C H41 2 10 G H1 5.500 . 5.500 2.442 2.148 2.682 . 0 0 "[ . 1 . 2 ]" 2
450 1 13 C H42 2 10 G H1 5.500 . 5.500 3.883 3.714 4.036 . 0 0 "[ . 1 . 2 ]" 2
451 1 14 G H1' 2 10 G Q2 3.300 . 3.300 2.771 2.087 2.948 . 0 0 "[ . 1 . 2 ]" 2
452 1 13 C H5 2 10 G H1 7.500 3.000 7.500 4.907 4.878 4.940 . 0 0 "[ . 1 . 2 ]" 2
453 1 14 G H8 2 10 G H1 5.500 . 5.500 5.030 4.293 5.492 . 0 0 "[ . 1 . 2 ]" 2
454 2 9 U H1' 2 12 C H41 5.500 . 5.500 4.385 3.624 5.048 . 0 0 "[ . 1 . 2 ]" 2
455 2 9 U H1' 2 12 C H42 3.300 . 3.300 2.788 1.935 3.304 0.004 19 0 "[ . 1 . 2 ]" 2
456 1 13 C H41 2 11 A H2 7.500 3.000 7.500 6.503 5.595 7.127 . 0 0 "[ . 1 . 2 ]" 2
457 1 13 C H42 2 11 A H2 7.500 3.000 7.500 6.747 5.765 7.420 . 0 0 "[ . 1 . 2 ]" 2
458 1 10 C H5 2 14 A H2 5.500 . 5.500 4.924 4.143 5.502 0.002 10 0 "[ . 1 . 2 ]" 2
459 1 2 A P 1 20 U P 22.000 18.000 40.000 18.525 17.996 19.249 0.004 1 0 "[ . 1 . 2 ]" 2
460 1 3 G P 1 19 C P 22.000 18.000 40.000 18.118 17.991 18.672 0.009 17 0 "[ . 1 . 2 ]" 2
461 1 4 C P 1 18 G P 22.000 18.000 40.000 18.892 18.199 19.851 . 0 0 "[ . 1 . 2 ]" 2
462 1 5 A P 1 17 U P 22.000 18.000 40.000 18.158 17.997 18.673 0.003 1 0 "[ . 1 . 2 ]" 2
463 1 6 G P 1 16 C P 22.000 18.000 40.000 18.192 17.991 18.969 0.009 17 0 "[ . 1 . 2 ]" 2
464 2 2 C P 2 20 G P 22.000 18.000 40.000 18.413 17.999 18.802 0.001 1 0 "[ . 1 . 2 ]" 2
465 2 3 G P 2 19 C P 22.000 18.000 40.000 18.342 18.010 18.558 . 0 0 "[ . 1 . 2 ]" 2
466 2 4 G P 2 18 U P 22.000 18.000 40.000 19.654 19.268 19.951 . 0 0 "[ . 1 . 2 ]" 2
467 2 5 C P 2 17 G P 22.000 18.000 40.000 18.006 17.991 18.056 0.009 13 0 "[ . 1 . 2 ]" 2
468 2 6 A P 2 16 U P 22.000 18.000 40.000 18.272 17.999 19.083 0.001 1 0 "[ . 1 . 2 ]" 2
469 2 7 G P 2 15 C P 22.000 18.000 40.000 18.067 17.992 18.325 0.008 10 0 "[ . 1 . 2 ]" 2
470 1 11 G P 2 12 C P 22.000 17.000 40.000 19.866 18.591 20.407 . 0 0 "[ . 1 . 2 ]" 2
471 1 12 U P 2 11 A P 22.000 17.000 40.000 18.143 17.344 19.083 . 0 0 "[ . 1 . 2 ]" 2
472 1 13 C P 2 10 G P 22.000 17.000 40.000 17.591 17.201 18.102 . 0 0 "[ . 1 . 2 ]" 2
473 1 2 A P 1 16 C P 17.000 13.000 17.000 16.946 16.488 17.010 0.010 20 0 "[ . 1 . 2 ]" 2
474 1 2 A P 1 17 U P 19.000 15.000 19.000 18.794 18.099 19.011 0.011 8 0 "[ . 1 . 2 ]" 2
475 2 2 C P 2 15 C P 15.000 11.000 15.000 14.992 14.982 15.005 0.005 8 0 "[ . 1 . 2 ]" 2
476 2 2 C P 2 16 U P 17.000 13.000 17.000 15.716 14.407 16.850 . 0 0 "[ . 1 . 2 ]" 2
477 2 2 C P 2 17 G P 19.000 15.000 19.000 18.172 17.298 19.004 0.004 9 0 "[ . 1 . 2 ]" 2
478 1 7 C Q4 1 14 G O6 2.000 . 2.200 1.744 1.697 1.757 0.103 11 0 "[ . 1 . 2 ]" 2
479 1 1 G H1' 1 1 G H8 3.800 3.400 3.800 3.672 3.654 3.724 . 0 0 "[ . 1 . 2 ]" 2
480 1 2 A H1' 1 2 A H8 3.800 3.400 3.800 3.766 3.718 3.804 0.004 15 0 "[ . 1 . 2 ]" 2
481 1 3 G H1' 1 3 G H8 3.800 3.400 3.800 3.757 3.709 3.819 0.019 19 0 "[ . 1 . 2 ]" 2
482 1 5 A H1' 1 5 A H8 3.800 3.400 3.800 3.819 3.786 3.844 0.044 15 0 "[ . 1 . 2 ]" 2
483 1 6 G H1' 1 6 G H8 3.800 3.400 3.800 3.797 3.769 3.839 0.039 8 0 "[ . 1 . 2 ]" 2
484 1 8 A H1' 1 8 A H8 3.800 3.400 3.800 3.756 3.683 3.812 0.012 17 0 "[ . 1 . 2 ]" 2
485 1 14 G H1' 1 14 G H8 3.800 3.400 3.800 3.669 3.571 3.799 . 0 0 "[ . 1 . 2 ]" 2
486 1 15 G H1' 1 15 G H8 3.800 3.400 3.800 3.683 3.333 3.872 0.072 6 0 "[ . 1 . 2 ]" 2
487 1 18 G H1' 1 18 G H8 3.800 3.400 3.800 3.781 3.741 3.823 0.023 15 0 "[ . 1 . 2 ]" 2
488 1 22 A H1' 1 22 A H8 3.800 3.400 3.800 3.854 3.851 3.866 0.066 20 0 "[ . 1 . 2 ]" 2
489 2 1 G H1' 2 1 G H8 3.800 3.400 3.800 3.638 3.600 3.687 . 0 0 "[ . 1 . 2 ]" 2
490 2 3 G H1' 2 3 G H8 3.800 3.400 3.800 3.818 3.789 3.832 0.032 19 0 "[ . 1 . 2 ]" 2
491 2 4 G H1' 2 4 G H8 3.800 3.400 3.800 3.778 3.763 3.801 0.001 10 0 "[ . 1 . 2 ]" 2
492 2 6 A H1' 2 6 A H8 3.800 3.400 3.800 3.830 3.815 3.842 0.042 4 0 "[ . 1 . 2 ]" 2
493 2 7 G H1' 2 7 G H8 3.800 3.400 3.800 3.720 3.652 3.812 0.012 1 0 "[ . 1 . 2 ]" 2
494 2 10 G H1' 2 10 G H8 3.800 3.400 3.800 3.602 3.567 3.698 . 0 0 "[ . 1 . 2 ]" 2
495 2 11 A H1' 2 11 A H8 3.800 3.400 3.800 3.695 3.658 3.749 . 0 0 "[ . 1 . 2 ]" 2
496 2 14 A H1' 2 14 A H8 3.800 3.400 3.800 3.659 3.467 3.744 . 0 0 "[ . 1 . 2 ]" 2
497 2 17 G H1' 2 17 G H8 3.800 3.400 3.800 3.823 3.810 3.834 0.034 19 0 "[ . 1 . 2 ]" 2
498 2 20 G H1' 2 20 G H8 3.800 3.400 3.800 3.818 3.800 3.830 0.030 3 0 "[ . 1 . 2 ]" 2
499 1 4 C H1' 1 4 C H6 3.600 3.200 3.600 3.537 3.515 3.564 . 0 0 "[ . 1 . 2 ]" 2
500 1 7 C H1' 1 7 C H6 3.600 3.200 3.600 3.523 3.497 3.553 . 0 0 "[ . 1 . 2 ]" 2
501 1 9 U H1' 1 9 U H6 3.600 3.200 3.600 3.511 3.504 3.520 . 0 0 "[ . 1 . 2 ]" 2
502 1 10 C H1' 1 10 C H6 3.600 3.200 3.600 3.511 3.466 3.548 . 0 0 "[ . 1 . 2 ]" 2
503 1 12 U H1' 1 12 U H6 3.600 3.200 3.600 3.514 3.481 3.568 . 0 0 "[ . 1 . 2 ]" 2
504 1 13 C H1' 1 13 C H6 3.600 3.200 3.600 3.535 3.518 3.551 . 0 0 "[ . 1 . 2 ]" 2
505 1 16 C H1' 1 16 C H6 3.600 3.200 3.600 3.530 3.498 3.555 . 0 0 "[ . 1 . 2 ]" 2
506 1 17 U H1' 1 17 U H6 3.600 3.200 3.600 3.563 3.521 3.586 . 0 0 "[ . 1 . 2 ]" 2
507 1 19 C H1' 1 19 C H6 3.600 3.200 3.600 3.570 3.538 3.631 0.031 1 0 "[ . 1 . 2 ]" 2
508 1 20 U H1' 1 20 U H6 3.600 3.200 3.600 3.574 3.550 3.616 0.016 21 0 "[ . 1 . 2 ]" 2
509 1 21 C H1' 1 21 C H6 3.600 3.200 3.600 3.555 3.535 3.566 . 0 0 "[ . 1 . 2 ]" 2
510 2 2 C H1' 2 2 C H6 3.600 3.200 3.600 3.549 3.529 3.590 . 0 0 "[ . 1 . 2 ]" 2
511 2 5 C H1' 2 5 C H6 3.600 3.200 3.600 3.566 3.543 3.586 . 0 0 "[ . 1 . 2 ]" 2
512 2 8 U H1' 2 8 U H6 3.600 3.200 3.600 3.537 3.529 3.546 . 0 0 "[ . 1 . 2 ]" 2
513 2 9 U H1' 2 9 U H6 3.600 3.200 3.600 3.511 3.498 3.524 . 0 0 "[ . 1 . 2 ]" 2
514 2 12 C H1' 2 12 C H6 3.600 3.200 3.600 3.521 3.493 3.552 . 0 0 "[ . 1 . 2 ]" 2
515 2 13 U H1' 2 13 U H6 3.600 3.200 3.600 3.513 3.135 3.637 0.065 13 0 "[ . 1 . 2 ]" 2
516 2 15 C H1' 2 15 C H6 3.600 3.200 3.600 3.548 3.510 3.568 . 0 0 "[ . 1 . 2 ]" 2
517 2 16 U H1' 2 16 U H6 3.600 3.200 3.600 3.533 3.516 3.577 . 0 0 "[ . 1 . 2 ]" 2
518 2 18 U H1' 2 18 U H6 3.600 3.200 3.600 3.512 3.482 3.552 . 0 0 "[ . 1 . 2 ]" 2
519 2 19 C H1' 2 19 C H6 3.600 3.200 3.600 3.536 3.521 3.546 . 0 0 "[ . 1 . 2 ]" 2
520 2 21 C H1' 2 21 C H6 3.600 3.200 3.600 3.532 3.524 3.549 . 0 0 "[ . 1 . 2 ]" 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 32
_Distance_constraint_stats_list.Viol_count 285
_Distance_constraint_stats_list.Viol_total 79.086
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0132
_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 G 0.140 0.012 19 0 "[ . 1 . 2 ]"
1 2 A 0.029 0.006 20 0 "[ . 1 . 2 ]"
1 3 G 0.175 0.019 21 0 "[ . 1 . 2 ]"
1 4 C 0.175 0.029 16 0 "[ . 1 . 2 ]"
1 5 A 0.084 0.011 16 0 "[ . 1 . 2 ]"
1 6 G 0.375 0.036 15 0 "[ . 1 . 2 ]"
1 11 G 0.257 0.034 19 0 "[ . 1 . 2 ]"
1 12 U 0.072 0.010 14 0 "[ . 1 . 2 ]"
1 13 C 0.208 0.032 20 0 "[ . 1 . 2 ]"
1 16 C 0.375 0.036 15 0 "[ . 1 . 2 ]"
1 17 U 0.084 0.011 16 0 "[ . 1 . 2 ]"
1 18 G 0.175 0.029 16 0 "[ . 1 . 2 ]"
1 19 C 0.175 0.019 21 0 "[ . 1 . 2 ]"
1 20 U 0.029 0.006 20 0 "[ . 1 . 2 ]"
1 21 C 0.140 0.012 19 0 "[ . 1 . 2 ]"
2 1 G 0.001 0.001 1 0 "[ . 1 . 2 ]"
2 2 C 0.359 0.035 21 0 "[ . 1 . 2 ]"
2 3 G 0.031 0.006 4 0 "[ . 1 . 2 ]"
2 4 G 0.932 0.058 2 0 "[ . 1 . 2 ]"
2 5 C 0.234 0.023 11 0 "[ . 1 . 2 ]"
2 6 A 0.217 0.023 11 0 "[ . 1 . 2 ]"
2 7 G 0.479 0.037 3 0 "[ . 1 . 2 ]"
2 10 G 0.208 0.032 20 0 "[ . 1 . 2 ]"
2 11 A 0.072 0.010 14 0 "[ . 1 . 2 ]"
2 12 C 0.257 0.034 19 0 "[ . 1 . 2 ]"
2 15 C 0.479 0.037 3 0 "[ . 1 . 2 ]"
2 16 U 0.217 0.023 11 0 "[ . 1 . 2 ]"
2 17 G 0.234 0.023 11 0 "[ . 1 . 2 ]"
2 18 U 0.932 0.058 2 0 "[ . 1 . 2 ]"
2 19 C 0.031 0.006 4 0 "[ . 1 . 2 ]"
2 20 G 0.359 0.035 21 0 "[ . 1 . 2 ]"
2 21 C 0.001 0.001 1 0 "[ . 1 . 2 ]"
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 G H8 1 21 C H6 12.000 11.800 12.200 11.806 11.788 11.845 0.012 19 0 "[ . 1 . 2 ]" 3
2 1 1 G O6 1 21 C O2 5.400 5.300 5.500 5.298 5.293 5.310 0.007 21 0 "[ . 1 . 2 ]" 3
3 1 2 A H8 1 20 U H6 12.000 11.800 12.200 11.864 11.796 11.992 0.004 15 0 "[ . 1 . 2 ]" 3
4 1 2 A N6 1 20 U O2 5.400 5.300 5.500 5.360 5.294 5.496 0.006 20 0 "[ . 1 . 2 ]" 3
5 1 3 G H8 1 19 C H6 12.000 11.800 12.200 11.921 11.829 12.006 . 0 0 "[ . 1 . 2 ]" 3
6 1 3 G O6 1 19 C O2 5.400 5.300 5.500 5.461 5.290 5.519 0.019 21 0 "[ . 1 . 2 ]" 3
7 1 4 C H6 1 18 G H8 12.000 11.800 12.200 11.895 11.790 11.986 0.010 12 0 "[ . 1 . 2 ]" 3
8 1 4 C O2 1 18 G O6 5.400 5.300 5.500 5.459 5.296 5.529 0.029 16 0 "[ . 1 . 2 ]" 3
9 1 5 A H8 1 17 U H6 12.000 11.800 12.200 11.887 11.796 11.954 0.004 8 0 "[ . 1 . 2 ]" 3
10 1 5 A N6 1 17 U O2 5.400 5.300 5.500 5.474 5.314 5.511 0.011 16 0 "[ . 1 . 2 ]" 3
11 1 6 G H8 1 16 C H6 12.000 11.800 12.200 11.896 11.789 12.009 0.011 20 0 "[ . 1 . 2 ]" 3
12 1 6 G O6 1 16 C O2 5.400 5.300 5.500 5.517 5.506 5.536 0.036 15 0 "[ . 1 . 2 ]" 3
13 2 1 G H8 2 21 C H6 12.000 11.800 12.200 11.901 11.825 11.990 . 0 0 "[ . 1 . 2 ]" 3
14 2 1 G O6 2 21 C O2 5.400 5.300 5.500 5.461 5.343 5.501 0.001 1 0 "[ . 1 . 2 ]" 3
15 2 2 C H6 2 20 G H8 12.000 11.800 12.200 11.893 11.778 11.960 0.022 21 0 "[ . 1 . 2 ]" 3
16 2 2 C O2 2 20 G O6 5.400 5.300 5.500 5.515 5.504 5.535 0.035 21 0 "[ . 1 . 2 ]" 3
17 2 3 G H8 2 19 C H6 12.000 11.800 12.200 11.814 11.795 11.840 0.005 20 0 "[ . 1 . 2 ]" 3
18 2 3 G O6 2 19 C O2 5.400 5.300 5.500 5.495 5.477 5.506 0.006 4 0 "[ . 1 . 2 ]" 3
19 2 4 G H8 2 18 U H6 12.000 11.800 12.200 11.756 11.742 11.791 0.058 2 0 "[ . 1 . 2 ]" 3
20 2 4 G O6 2 18 U O2 3.500 3.200 3.800 3.628 3.367 3.767 . 0 0 "[ . 1 . 2 ]" 3
21 2 5 C H6 2 17 G H8 12.000 11.800 12.200 11.916 11.875 11.979 . 0 0 "[ . 1 . 2 ]" 3
22 2 5 C O2 2 17 G O6 5.400 5.300 5.500 5.511 5.495 5.523 0.023 11 0 "[ . 1 . 2 ]" 3
23 2 6 A H8 2 16 U H6 12.000 11.800 12.200 11.793 11.777 11.822 0.023 11 0 "[ . 1 . 2 ]" 3
24 2 6 A N6 2 16 U O2 5.400 5.300 5.500 5.372 5.292 5.499 0.008 19 0 "[ . 1 . 2 ]" 3
25 2 7 G H8 2 15 C H6 12.000 11.800 12.200 11.933 11.841 11.999 . 0 0 "[ . 1 . 2 ]" 3
26 2 7 G O6 2 15 C O2 5.400 5.300 5.500 5.523 5.503 5.537 0.037 3 0 "[ . 1 . 2 ]" 3
27 1 11 G H8 2 12 C H6 12.000 11.800 12.200 11.881 11.766 12.028 0.034 19 0 "[ . 1 . 2 ]" 3
28 1 11 G O6 2 12 C O2 5.400 5.300 5.500 5.501 5.402 5.522 0.022 17 0 "[ . 1 . 2 ]" 3
29 1 12 U H6 2 11 A H8 12.000 11.800 12.200 11.871 11.791 11.962 0.009 20 0 "[ . 1 . 2 ]" 3
30 1 12 U O2 2 11 A N6 5.400 5.300 5.500 5.349 5.290 5.488 0.010 14 0 "[ . 1 . 2 ]" 3
31 1 13 C H6 2 10 G H8 12.000 11.800 12.200 11.856 11.768 11.963 0.032 20 0 "[ . 1 . 2 ]" 3
32 1 13 C O2 2 10 G O6 5.400 5.300 5.500 5.497 5.358 5.530 0.030 4 0 "[ . 1 . 2 ]" 3
stop_
save_
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