NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384468 |
1kkv   |
5252 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kkv
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 416
_Distance_constraint_stats_list.Viol_count 3855
_Distance_constraint_stats_list.Viol_total 5772.891
_Distance_constraint_stats_list.Viol_max 0.311
_Distance_constraint_stats_list.Viol_rms 0.0587
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0347
_Distance_constraint_stats_list.Viol_average_violations_only 0.0749
_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 3.094 0.087 7 0 "[ . 1 . 2]"
1 2 DC 6.084 0.088 19 0 "[ . 1 . 2]"
1 3 DA 43.177 0.308 1 0 "[ . 1 . 2]"
1 4 DC 43.271 0.275 3 0 "[ . 1 . 2]"
1 5 DG 40.486 0.275 2 0 "[ . 1 . 2]"
1 6 DC 26.949 0.250 12 0 "[ . 1 . 2]"
1 7 DG 24.099 0.229 2 0 "[ . 1 . 2]"
1 8 DT 31.450 0.214 7 0 "[ . 1 . 2]"
1 9 DG 10.383 0.214 7 0 "[ . 1 . 2]"
1 10 DG 1.101 0.031 15 0 "[ . 1 . 2]"
2 1 DC 3.098 0.094 8 0 "[ . 1 . 2]"
2 2 DC 5.937 0.094 8 0 "[ . 1 . 2]"
2 3 DA 41.052 0.311 6 0 "[ . 1 . 2]"
2 4 DC 41.495 0.275 2 0 "[ . 1 . 2]"
2 5 DG 41.319 0.275 2 0 "[ . 1 . 2]"
2 6 DC 27.322 0.251 5 0 "[ . 1 . 2]"
2 7 DG 23.750 0.272 19 0 "[ . 1 . 2]"
2 8 DT 30.927 0.244 19 0 "[ . 1 . 2]"
2 9 DG 10.404 0.168 19 0 "[ . 1 . 2]"
2 10 DG 1.055 0.030 8 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 DC H1' 1 2 DC H1' . 4.500 5.300 4.916 4.904 4.936 . 0 0 "[ . 1 . 2]" 1
2 1 1 DC H1' 1 2 DC H5' . . 2.300 2.214 2.203 2.326 0.026 18 0 "[ . 1 . 2]" 1
3 1 1 DC H1' 1 2 DC H5'' . 3.000 3.700 3.784 3.748 3.787 0.087 7 0 "[ . 1 . 2]" 1
4 1 2 DC H1' 1 3 DA H1' . 4.500 5.300 5.289 5.024 5.316 0.016 2 0 "[ . 1 . 2]" 1
5 1 2 DC H1' 1 3 DA H5' . . 2.300 2.293 2.232 2.361 0.061 3 0 "[ . 1 . 2]" 1
6 1 2 DC H1' 1 3 DA H5'' . 3.000 3.700 3.760 3.751 3.788 0.088 19 0 "[ . 1 . 2]" 1
7 1 3 DA H1' 1 4 DC H5' . . 2.300 2.080 2.076 2.098 . 0 0 "[ . 1 . 2]" 1
8 1 3 DA H1' 1 4 DC H5'' . 3.000 3.700 3.774 3.718 3.786 0.086 3 0 "[ . 1 . 2]" 1
9 1 4 DC H1' 1 5 DG H5' . . 2.300 2.354 2.346 2.367 0.067 2 0 "[ . 1 . 2]" 1
10 1 5 DG H1' 1 6 DC H5' . . 2.300 2.343 2.325 2.370 0.070 2 0 "[ . 1 . 2]" 1
11 1 6 DC H1' 1 7 DG H5' . . 2.300 2.377 2.368 2.385 0.085 6 0 "[ . 1 . 2]" 1
12 1 7 DG H1' 1 8 DT H1' . 4.500 5.300 4.907 4.845 4.932 . 0 0 "[ . 1 . 2]" 1
13 1 7 DG H1' 1 8 DT H5' . . 2.300 2.159 2.153 2.169 . 0 0 "[ . 1 . 2]" 1
14 1 7 DG H1' 1 8 DT H5'' . 3.000 3.700 3.768 3.765 3.785 0.085 15 0 "[ . 1 . 2]" 1
15 1 9 DG H1' 1 10 DG H5' . . 2.300 2.329 2.327 2.331 0.031 15 0 "[ . 1 . 2]" 1
16 1 8 DT H1' 1 9 DG H5' . . 2.300 2.146 2.118 2.325 0.025 15 0 "[ . 1 . 2]" 1
17 1 8 DT H1' 1 9 DG H5'' . 3.000 3.700 3.794 3.748 3.805 0.105 14 0 "[ . 1 . 2]" 1
18 1 9 DG H1' 1 10 DG H1' . 4.670 5.170 5.004 4.769 5.089 . 0 0 "[ . 1 . 2]" 1
19 2 1 DC H1' 2 2 DC H1' . 4.500 5.300 4.906 4.836 4.936 . 0 0 "[ . 1 . 2]" 1
20 2 1 DC H1' 2 2 DC H5' . . 2.300 2.213 2.201 2.329 0.029 9 0 "[ . 1 . 2]" 1
21 2 1 DC H1' 2 2 DC H5'' . 3.000 3.700 3.785 3.748 3.794 0.094 8 0 "[ . 1 . 2]" 1
22 2 2 DC H1' 2 3 DA H1' . 4.500 5.300 5.261 4.970 5.314 0.014 2 0 "[ . 1 . 2]" 1
23 2 2 DC H1' 2 3 DA H5' . . 2.300 2.285 2.229 2.301 0.001 9 0 "[ . 1 . 2]" 1
24 2 2 DC H1' 2 3 DA H5'' . 3.000 3.700 3.764 3.751 3.792 0.092 7 0 "[ . 1 . 2]" 1
25 2 3 DA H1' 2 4 DC H5' . . 2.300 2.082 2.076 2.101 . 0 0 "[ . 1 . 2]" 1
26 2 3 DA H1' 2 4 DC H5'' . 3.000 3.700 3.765 3.717 3.781 0.081 19 0 "[ . 1 . 2]" 1
27 2 4 DC H1' 2 5 DG H5' . . 2.300 2.355 2.348 2.366 0.066 2 0 "[ . 1 . 2]" 1
28 2 5 DG H1' 2 6 DC H5' . . 2.300 2.338 2.325 2.371 0.071 2 0 "[ . 1 . 2]" 1
29 2 6 DC H1' 2 7 DG H5' . . 2.300 2.374 2.348 2.394 0.094 19 0 "[ . 1 . 2]" 1
30 2 7 DG H1' 2 8 DT H1' . 4.500 5.300 4.922 4.898 5.003 . 0 0 "[ . 1 . 2]" 1
31 2 7 DG H1' 2 8 DT H5' . . 2.300 2.165 2.133 2.323 0.023 19 0 "[ . 1 . 2]" 1
32 2 7 DG H1' 2 8 DT H5'' . 3.000 3.700 3.763 3.700 3.773 0.073 17 0 "[ . 1 . 2]" 1
33 2 9 DG H1' 2 10 DG H5' . . 2.300 2.329 2.326 2.330 0.030 8 0 "[ . 1 . 2]" 1
34 2 8 DT H1' 2 9 DG H5' . . 2.300 2.125 2.112 2.128 . 0 0 "[ . 1 . 2]" 1
35 2 8 DT H1' 2 9 DG H5'' . 3.000 3.700 3.802 3.800 3.810 0.110 19 0 "[ . 1 . 2]" 1
36 2 9 DG H1' 2 10 DG H1' . 4.670 5.170 5.039 5.022 5.090 . 0 0 "[ . 1 . 2]" 1
37 1 1 DC H1' 1 2 DC H5 . 3.440 3.940 3.970 3.962 3.973 0.033 1 0 "[ . 1 . 2]" 1
38 1 1 DC H2' 1 1 DC H5 . 3.930 4.430 4.362 4.333 4.370 . 0 0 "[ . 1 . 2]" 1
39 1 1 DC H5 1 2 DC H5 . 4.370 4.870 4.396 4.379 4.407 . 0 0 "[ . 1 . 2]" 1
40 1 1 DC H1' 1 1 DC H6 . 3.450 3.950 3.739 3.735 3.751 . 0 0 "[ . 1 . 2]" 1
41 1 1 DC H2'' 1 1 DC H6 . 3.170 3.670 3.562 3.550 3.636 . 0 0 "[ . 1 . 2]" 1
42 1 1 DC H2' 1 1 DC H6 . . 2.130 2.140 2.138 2.149 0.019 18 0 "[ . 1 . 2]" 1
43 1 1 DC H3' 1 1 DC H6 . 3.600 4.100 4.116 3.898 4.132 0.032 19 0 "[ . 1 . 2]" 1
44 1 1 DC H4' 1 1 DC H6 . 4.270 4.770 4.508 4.485 4.639 . 0 0 "[ . 1 . 2]" 1
45 1 1 DC H6 1 2 DC H5 . 3.570 4.070 3.707 3.649 3.718 . 0 0 "[ . 1 . 2]" 1
46 1 1 DC H6 1 2 DC H6 . 4.800 5.300 4.961 4.939 4.997 . 0 0 "[ . 1 . 2]" 1
47 1 1 DC H2'' 1 2 DC H5 . 2.580 3.080 2.808 2.737 2.822 . 0 0 "[ . 1 . 2]" 1
48 1 1 DC H2' 1 2 DC H5 . 2.990 3.490 3.179 2.990 3.206 . 0 0 "[ . 1 . 2]" 1
49 1 1 DC H1' 1 2 DC H6 . 2.550 3.050 3.052 3.050 3.063 0.013 18 0 "[ . 1 . 2]" 1
50 1 1 DC H2'' 1 2 DC H6 . 2.110 2.610 2.246 2.175 2.256 . 0 0 "[ . 1 . 2]" 1
51 1 1 DC H2' 1 2 DC H6 . 3.610 4.110 3.750 3.605 3.774 0.005 18 0 "[ . 1 . 2]" 1
52 1 1 DC H3' 1 2 DC H6 . 4.720 5.220 4.894 4.877 4.905 . 0 0 "[ . 1 . 2]" 1
53 1 10 DG H1' 1 10 DG H8 . 3.660 4.160 3.900 3.893 3.907 . 0 0 "[ . 1 . 2]" 1
54 1 10 DG H2'' 1 10 DG H8 . 3.450 3.950 3.733 3.636 3.784 . 0 0 "[ . 1 . 2]" 1
55 1 10 DG H2' 1 10 DG H8 . . 2.450 2.364 2.309 2.398 . 0 0 "[ . 1 . 2]" 1
56 1 10 DG H3' 1 10 DG H8 . 3.970 4.470 4.478 4.476 4.483 0.013 15 0 "[ . 1 . 2]" 1
57 1 10 DG H4' 1 10 DG H8 . 4.600 5.100 5.002 4.970 5.100 0.000 15 0 "[ . 1 . 2]" 1
58 1 9 DG H1' 1 10 DG H8 . 2.580 3.080 3.090 3.082 3.094 0.014 16 0 "[ . 1 . 2]" 1
59 1 9 DG H2'' 1 10 DG H8 . 2.030 2.530 2.457 2.433 2.511 . 0 0 "[ . 1 . 2]" 1
60 1 9 DG H2' 1 10 DG H8 . 3.430 3.930 3.935 3.932 3.943 0.013 7 0 "[ . 1 . 2]" 1
61 1 9 DG H3' 1 10 DG H8 . 4.700 5.200 5.151 5.114 5.223 0.023 15 0 "[ . 1 . 2]" 1
62 1 9 DG H1' 1 10 DG H3' . 4.720 5.220 5.184 5.044 5.224 0.004 17 0 "[ . 1 . 2]" 1
63 2 1 DC H1' 2 2 DC H5 . 3.440 3.940 3.970 3.963 3.973 0.033 8 0 "[ . 1 . 2]" 1
64 2 1 DC H2' 2 1 DC H5 . 3.930 4.430 4.358 4.296 4.377 . 0 0 "[ . 1 . 2]" 1
65 2 1 DC H5 2 2 DC H5 . 4.370 4.870 4.400 4.379 4.440 . 0 0 "[ . 1 . 2]" 1
66 2 1 DC H1' 2 1 DC H6 . 3.450 3.950 3.740 3.736 3.751 . 0 0 "[ . 1 . 2]" 1
67 2 1 DC H2'' 2 1 DC H6 . 3.170 3.670 3.562 3.546 3.655 . 0 0 "[ . 1 . 2]" 1
68 2 1 DC H2' 2 1 DC H6 . . 2.130 2.140 2.139 2.147 0.017 9 0 "[ . 1 . 2]" 1
69 2 1 DC H3' 2 1 DC H6 . 3.600 4.100 4.114 3.861 4.134 0.034 14 0 "[ . 1 . 2]" 1
70 2 1 DC H4' 2 1 DC H6 . 4.270 4.770 4.513 4.487 4.589 . 0 0 "[ . 1 . 2]" 1
71 2 1 DC H6 2 2 DC H5 . 3.570 4.070 3.715 3.685 3.779 . 0 0 "[ . 1 . 2]" 1
72 2 1 DC H6 2 2 DC H6 . 4.800 5.300 4.965 4.952 4.982 . 0 0 "[ . 1 . 2]" 1
73 2 1 DC H2'' 2 2 DC H5 . 2.580 3.080 2.808 2.757 2.856 . 0 0 "[ . 1 . 2]" 1
74 2 1 DC H2' 2 2 DC H5 . 2.990 3.490 3.183 2.992 3.232 . 0 0 "[ . 1 . 2]" 1
75 2 1 DC H1' 2 2 DC H6 . 2.550 3.050 3.049 3.018 3.059 0.009 9 0 "[ . 1 . 2]" 1
76 2 1 DC H2'' 2 2 DC H6 . 2.110 2.610 2.246 2.193 2.257 . 0 0 "[ . 1 . 2]" 1
77 2 1 DC H2' 2 2 DC H6 . 3.610 4.110 3.751 3.599 3.766 0.011 9 0 "[ . 1 . 2]" 1
78 2 1 DC H3' 2 2 DC H6 . 4.720 5.220 4.895 4.869 4.914 . 0 0 "[ . 1 . 2]" 1
79 2 10 DG H1' 2 10 DG H8 . 3.660 4.160 3.900 3.898 3.904 . 0 0 "[ . 1 . 2]" 1
80 2 10 DG H2'' 2 10 DG H8 . 3.450 3.950 3.739 3.725 3.772 . 0 0 "[ . 1 . 2]" 1
81 2 10 DG H2' 2 10 DG H8 . . 2.450 2.366 2.358 2.390 . 0 0 "[ . 1 . 2]" 1
82 2 10 DG H3' 2 10 DG H8 . 3.970 4.470 4.477 4.475 4.479 0.009 18 0 "[ . 1 . 2]" 1
83 2 10 DG H4' 2 10 DG H8 . 4.600 5.100 4.992 4.968 4.999 . 0 0 "[ . 1 . 2]" 1
84 2 9 DG H1' 2 10 DG H8 . 2.580 3.080 3.093 3.088 3.094 0.014 11 0 "[ . 1 . 2]" 1
85 2 9 DG H2'' 2 10 DG H8 . 2.030 2.530 2.453 2.432 2.489 . 0 0 "[ . 1 . 2]" 1
86 2 9 DG H2' 2 10 DG H8 . 3.430 3.930 3.934 3.932 3.940 0.010 18 0 "[ . 1 . 2]" 1
87 2 9 DG H3' 2 10 DG H8 . 4.700 5.200 5.148 5.114 5.195 . 0 0 "[ . 1 . 2]" 1
88 2 9 DG H1' 2 10 DG H3' . 4.720 5.220 5.202 5.164 5.223 0.003 19 0 "[ . 1 . 2]" 1
89 1 3 DA H1' 1 3 DA H2'' 2.330 2.030 2.330 2.370 2.354 2.383 0.053 19 0 "[ . 1 . 2]" 1
90 1 3 DA H1' 1 3 DA H2' 2.870 2.310 2.870 2.955 2.951 2.964 0.094 19 0 "[ . 1 . 2]" 1
91 1 3 DA H1' 1 3 DA H3' 4.590 3.320 4.590 3.625 3.541 3.667 . 0 0 "[ . 1 . 2]" 1
92 1 3 DA H1' 1 3 DA H4' 3.090 2.720 3.090 2.929 2.666 3.093 0.054 3 0 "[ . 1 . 2]" 1
93 1 3 DA H1' 1 3 DA H5' 3.720 2.910 3.720 4.017 3.985 4.028 0.308 1 0 "[ . 1 . 2]" 1
94 1 3 DA H1' 1 4 DC H1' 4.600 3.440 4.600 4.604 4.530 4.631 0.031 1 0 "[ . 1 . 2]" 1
95 1 3 DA H1' 1 4 DC H2' 4.770 3.320 4.770 3.977 3.637 4.031 . 0 0 "[ . 1 . 2]" 1
96 1 3 DA H1' 1 4 DC H5 4.810 3.700 4.810 4.452 4.037 4.501 . 0 0 "[ . 1 . 2]" 1
97 1 3 DA H1' 1 4 DC H3' 5.320 4.080 5.320 4.899 4.408 4.941 . 0 0 "[ . 1 . 2]" 1
98 1 3 DA H1' 1 3 DA H2 4.690 3.800 4.690 4.692 4.608 4.705 0.015 17 0 "[ . 1 . 2]" 1
99 1 3 DA H2 2 9 DG H1' 4.630 3.810 4.630 4.353 4.262 4.627 . 0 0 "[ . 1 . 2]" 1
100 1 3 DA H2 2 8 DT H1' 4.600 3.740 4.600 4.666 4.662 4.669 0.069 19 0 "[ . 1 . 2]" 1
101 1 3 DA H2'' 1 4 DC H2'' 4.660 3.380 4.660 4.918 4.845 4.935 0.275 3 0 "[ . 1 . 2]" 1
102 1 3 DA H2'' 1 4 DC H2' 4.150 3.130 4.150 3.360 3.262 3.387 . 0 0 "[ . 1 . 2]" 1
103 1 3 DA H2'' 1 3 DA H3' 2.770 2.350 2.770 2.870 2.817 2.907 0.137 3 0 "[ . 1 . 2]" 1
104 1 3 DA H2' 1 3 DA H3' 2.410 2.030 2.410 2.357 2.344 2.435 0.025 19 0 "[ . 1 . 2]" 1
105 1 3 DA H3' 1 3 DA H4' 2.670 2.340 2.670 2.708 2.685 2.742 0.072 3 0 "[ . 1 . 2]" 1
106 1 3 DA H3' 1 3 DA H5'' 2.360 2.030 2.360 2.488 2.466 2.509 0.149 3 0 "[ . 1 . 2]" 1
107 1 3 DA H3' 1 4 DC H5' 3.760 2.900 3.760 3.912 3.820 3.924 0.164 1 0 "[ . 1 . 2]" 1
108 1 3 DA H2'' 1 3 DA H4' 4.620 3.440 4.620 4.058 3.911 4.117 . 0 0 "[ . 1 . 2]" 1
109 1 3 DA H2' 1 3 DA H4' 4.410 3.380 4.410 3.805 3.778 3.828 . 0 0 "[ . 1 . 2]" 1
110 1 3 DA H1' 1 3 DA H8 5.590 4.070 5.590 3.947 3.936 3.952 0.134 1 0 "[ . 1 . 2]" 1
111 1 3 DA H2'' 1 3 DA H8 3.140 2.700 3.140 3.394 3.328 3.401 0.261 11 0 "[ . 1 . 2]" 1
112 1 3 DA H2' 1 3 DA H8 2.520 2.180 2.520 2.183 2.176 2.248 0.004 18 0 "[ . 1 . 2]" 1
113 1 3 DA H3' 1 3 DA H8 6.000 4.400 6.000 4.371 4.347 4.615 0.053 18 0 "[ . 1 . 2]" 1
114 1 3 DA H4' 1 3 DA H8 5.910 4.310 5.910 5.193 5.155 5.363 . 0 0 "[ . 1 . 2]" 1
115 1 3 DA H5' 1 3 DA H8 4.740 3.660 4.740 4.281 4.053 4.750 0.010 3 0 "[ . 1 . 2]" 1
116 1 2 DC H1' 1 3 DA H8 4.280 3.330 4.280 3.795 3.540 4.083 . 0 0 "[ . 1 . 2]" 1
117 1 2 DC H2'' 1 3 DA H8 3.290 2.770 3.290 2.745 2.737 2.758 0.033 1 0 "[ . 1 . 2]" 1
118 1 2 DC H2' 1 3 DA H8 4.640 3.370 4.640 4.033 3.416 4.204 . 0 0 "[ . 1 . 2]" 1
119 1 2 DC H3' 1 3 DA H8 5.500 4.200 5.500 5.468 5.301 5.486 . 0 0 "[ . 1 . 2]" 1
120 1 2 DC H5 1 3 DA H8 6.000 4.590 6.000 5.968 5.487 6.011 0.011 13 0 "[ . 1 . 2]" 1
121 1 2 DC H6 1 3 DA H8 5.860 4.420 5.860 4.876 4.511 4.921 . 0 0 "[ . 1 . 2]" 1
122 1 3 DA H8 1 4 DC H5 3.920 3.440 3.920 3.494 3.463 3.518 . 0 0 "[ . 1 . 2]" 1
123 1 3 DA H8 1 4 DC H6 6.220 4.670 6.220 4.521 4.509 4.586 0.161 5 0 "[ . 1 . 2]" 1
124 1 2 DC H1' 1 3 DA H3' 5.230 3.900 5.230 5.006 4.572 5.080 . 0 0 "[ . 1 . 2]" 1
125 1 2 DC H1' 1 2 DC H2'' 2.370 2.040 2.370 2.386 2.383 2.388 0.018 1 0 "[ . 1 . 2]" 1
126 1 2 DC H1' 1 2 DC H2' 4.020 2.980 4.020 3.049 3.047 3.053 . 0 0 "[ . 1 . 2]" 1
127 1 2 DC H1' 1 2 DC H3' 4.450 3.510 4.450 3.672 3.657 3.816 . 0 0 "[ . 1 . 2]" 1
128 1 2 DC H1' 1 2 DC H4' 2.900 2.570 2.900 2.967 2.940 2.971 0.071 3 0 "[ . 1 . 2]" 1
129 1 2 DC H2' 1 2 DC H3' 2.640 2.300 2.640 2.359 2.281 2.368 0.019 3 0 "[ . 1 . 2]" 1
130 1 2 DC H1' 1 2 DC H5 5.610 4.020 5.610 5.482 5.476 5.496 . 0 0 "[ . 1 . 2]" 1
131 1 2 DC H2' 1 2 DC H5 4.450 3.340 4.450 4.413 4.349 4.440 . 0 0 "[ . 1 . 2]" 1
132 1 2 DC H1' 1 2 DC H6 3.760 2.940 3.760 3.737 3.731 3.744 . 0 0 "[ . 1 . 2]" 1
133 1 2 DC H2'' 1 2 DC H6 4.130 2.960 4.130 3.475 3.297 3.670 . 0 0 "[ . 1 . 2]" 1
134 1 2 DC H2' 1 2 DC H6 2.340 . 2.340 2.130 2.073 2.174 . 0 0 "[ . 1 . 2]" 1
135 1 2 DC H3' 1 2 DC H6 4.730 3.600 4.730 4.169 3.776 4.246 . 0 0 "[ . 1 . 2]" 1
136 1 2 DC H4' 1 2 DC H6 5.560 4.080 5.560 4.588 4.461 4.784 . 0 0 "[ . 1 . 2]" 1
137 1 4 DC H1' 1 4 DC H2'' 2.340 . 2.340 2.445 2.397 2.467 0.127 18 0 "[ . 1 . 2]" 1
138 1 4 DC H1' 1 4 DC H2' 3.610 2.660 3.610 3.027 3.005 3.032 . 0 0 "[ . 1 . 2]" 1
139 1 4 DC H1' 1 4 DC H3' 5.030 3.780 5.030 3.675 3.666 3.721 0.114 20 0 "[ . 1 . 2]" 1
140 1 4 DC H1' 1 4 DC H4' 2.680 2.370 2.680 2.793 2.711 2.806 0.126 18 0 "[ . 1 . 2]" 1
141 1 4 DC H1' 1 4 DC H5 6.220 4.670 6.220 5.482 5.462 5.492 . 0 0 "[ . 1 . 2]" 1
142 1 4 DC H1' 1 5 DG H3' 5.930 4.820 5.930 5.450 5.395 5.536 . 0 0 "[ . 1 . 2]" 1
143 1 4 DC H2' 1 4 DC H3' 2.490 2.170 2.490 2.293 2.167 2.326 0.003 19 0 "[ . 1 . 2]" 1
144 1 3 DA H2'' 1 4 DC H5 3.600 3.110 3.600 3.399 3.163 3.428 . 0 0 "[ . 1 . 2]" 1
145 1 3 DA H2' 1 4 DC H5 3.870 3.290 3.870 3.906 3.899 3.944 0.074 19 0 "[ . 1 . 2]" 1
146 1 3 DA H3' 1 4 DC H5 6.280 4.780 6.280 6.027 5.906 6.049 . 0 0 "[ . 1 . 2]" 1
147 1 4 DC H2' 1 4 DC H5 4.390 3.590 4.390 4.384 4.352 4.392 0.002 5 0 "[ . 1 . 2]" 1
148 1 3 DA H2'' 1 4 DC H5' 4.570 3.410 4.570 3.365 3.339 3.752 0.071 3 0 "[ . 1 . 2]" 1
149 1 4 DC H2' 1 4 DC H5' 3.680 2.840 3.680 3.766 3.720 3.775 0.095 3 0 "[ . 1 . 2]" 1
150 1 3 DA H1' 1 4 DC H6 3.250 2.800 3.250 3.279 2.985 3.301 0.051 17 0 "[ . 1 . 2]" 1
151 1 3 DA H2'' 1 4 DC H6 2.760 2.420 2.760 2.332 2.277 2.350 0.143 19 0 "[ . 1 . 2]" 1
152 1 3 DA H2' 1 4 DC H6 3.990 3.020 3.990 3.777 3.762 3.862 . 0 0 "[ . 1 . 2]" 1
153 1 3 DA H3' 1 4 DC H6 5.370 3.790 5.370 5.168 4.914 5.224 . 0 0 "[ . 1 . 2]" 1
154 1 3 DA H4' 1 4 DC H6 6.130 4.640 6.130 5.873 5.431 6.024 . 0 0 "[ . 1 . 2]" 1
155 1 4 DC H1' 1 4 DC H6 3.800 2.900 3.800 3.734 3.723 3.759 . 0 0 "[ . 1 . 2]" 1
156 1 4 DC H2'' 1 4 DC H6 4.530 3.190 4.530 3.210 3.198 3.231 . 0 0 "[ . 1 . 2]" 1
157 1 4 DC H2' 1 4 DC H6 2.480 2.150 2.480 2.069 2.062 2.074 0.088 19 0 "[ . 1 . 2]" 1
158 1 4 DC H3' 1 4 DC H6 4.940 3.660 4.940 4.253 4.087 4.306 . 0 0 "[ . 1 . 2]" 1
159 1 6 DC H1' 1 6 DC H2'' 2.350 2.010 2.350 2.247 2.203 2.274 . 0 0 "[ . 1 . 2]" 1
160 1 6 DC H1' 1 6 DC H2' 3.720 2.750 3.720 2.995 2.980 3.004 . 0 0 "[ . 1 . 2]" 1
161 1 6 DC H1' 1 6 DC H3' 4.590 3.530 4.590 3.760 3.738 3.797 . 0 0 "[ . 1 . 2]" 1
162 1 6 DC H1' 1 6 DC H4' 2.720 2.410 2.720 2.720 2.587 2.789 0.069 7 0 "[ . 1 . 2]" 1
163 1 6 DC H2' 1 6 DC H3' 2.550 2.230 2.550 2.197 2.190 2.204 0.040 2 0 "[ . 1 . 2]" 1
164 1 6 DC H2' 1 6 DC H5 4.070 3.390 4.070 4.131 4.123 4.138 0.068 2 0 "[ . 1 . 2]" 1
165 1 5 DG H2'' 1 6 DC H5 3.680 3.140 3.680 3.031 2.996 3.056 0.144 4 0 "[ . 1 . 2]" 1
166 1 5 DG H2' 1 6 DC H5 3.560 3.120 3.560 3.629 3.600 3.677 0.117 2 0 "[ . 1 . 2]" 1
167 1 5 DG H3' 1 6 DC H5 5.800 4.580 5.800 5.355 5.303 5.428 . 0 0 "[ . 1 . 2]" 1
168 1 6 DC H1' 1 6 DC H6 3.990 3.060 3.990 3.729 3.708 3.737 . 0 0 "[ . 1 . 2]" 1
169 1 6 DC H2'' 1 6 DC H6 4.380 3.220 4.380 3.690 3.667 3.707 . 0 0 "[ . 1 . 2]" 1
170 1 6 DC H2' 1 6 DC H6 2.380 2.050 2.380 2.158 2.143 2.169 . 0 0 "[ . 1 . 2]" 1
171 1 6 DC H3' 1 6 DC H6 4.070 3.270 4.070 3.463 3.348 3.535 . 0 0 "[ . 1 . 2]" 1
172 1 5 DG H1' 1 6 DC H6 3.130 2.700 3.130 2.669 2.661 2.675 0.039 14 0 "[ . 1 . 2]" 1
173 1 5 DG H2'' 1 6 DC H6 2.820 2.470 2.820 2.340 2.325 2.360 0.145 19 0 "[ . 1 . 2]" 1
174 1 5 DG H3' 1 6 DC H6 4.420 3.660 4.420 4.633 4.574 4.670 0.250 12 0 "[ . 1 . 2]" 1
175 1 5 DG H4' 1 6 DC H6 5.400 4.070 5.400 5.429 5.373 5.462 0.062 18 0 "[ . 1 . 2]" 1
176 1 5 DG H1' 1 6 DC H3' 4.410 3.500 4.410 4.512 4.441 4.551 0.141 7 0 "[ . 1 . 2]" 1
177 1 5 DG H1' 1 6 DC H5 4.970 3.920 4.970 4.045 3.918 4.130 0.002 14 0 "[ . 1 . 2]" 1
178 1 5 DG H1' 1 5 DG H2'' 2.370 . 2.370 2.402 2.391 2.420 0.050 14 0 "[ . 1 . 2]" 1
179 1 5 DG H1' 1 5 DG H2' 2.960 2.330 2.960 3.006 2.998 3.020 0.060 20 0 "[ . 1 . 2]" 1
180 1 5 DG H1' 1 5 DG H3' 4.420 3.490 4.420 3.623 3.576 3.655 . 0 0 "[ . 1 . 2]" 1
181 1 5 DG H1' 1 5 DG H4' 3.070 2.740 3.070 3.089 3.079 3.100 0.030 18 0 "[ . 1 . 2]" 1
182 1 5 DG H2'' 1 6 DC H2' 4.120 3.200 4.120 4.165 4.143 4.175 0.055 19 0 "[ . 1 . 2]" 1
183 1 4 DC H1' 1 5 DG H8 3.490 3.030 3.490 3.480 3.233 3.525 0.035 2 0 "[ . 1 . 2]" 1
184 1 4 DC H2'' 1 5 DG H8 3.170 2.800 3.170 2.531 2.525 2.539 0.275 2 0 "[ . 1 . 2]" 1
185 1 4 DC H2' 1 5 DG H8 3.550 3.070 3.550 3.778 3.745 3.807 0.257 18 0 "[ . 1 . 2]" 1
186 1 4 DC H3' 1 5 DG H8 4.850 3.920 4.850 4.993 4.982 5.013 0.163 19 0 "[ . 1 . 2]" 1
187 1 4 DC H6 1 5 DG H8 5.870 4.500 5.870 4.403 4.387 4.414 0.113 19 0 "[ . 1 . 2]" 1
188 1 5 DG H8 1 6 DC H5 4.100 3.510 4.100 3.868 3.802 3.935 . 0 0 "[ . 1 . 2]" 1
189 1 5 DG H8 1 6 DC H6 6.590 4.990 6.590 4.891 4.866 4.932 0.124 19 0 "[ . 1 . 2]" 1
190 1 5 DG H1' 1 5 DG H8 5.460 4.050 5.460 3.995 3.974 4.007 0.076 6 0 "[ . 1 . 2]" 1
191 1 5 DG H2'' 1 5 DG H8 3.430 2.750 3.430 3.574 3.544 3.597 0.167 18 0 "[ . 1 . 2]" 1
192 1 5 DG H2' 1 5 DG H8 2.630 2.290 2.630 2.240 2.224 2.255 0.066 19 0 "[ . 1 . 2]" 1
193 1 5 DG H3' 1 5 DG H8 4.530 3.730 4.530 4.356 4.198 4.545 0.015 6 0 "[ . 1 . 2]" 1
194 1 5 DG H4' 1 5 DG H8 5.690 4.330 5.690 5.001 4.879 5.142 . 0 0 "[ . 1 . 2]" 1
195 1 7 DG H1' 1 7 DG H2'' 2.270 . 2.270 2.313 2.307 2.317 0.047 2 0 "[ . 1 . 2]" 1
196 1 7 DG H1' 1 7 DG H2' 3.070 2.390 3.070 3.016 3.012 3.028 . 0 0 "[ . 1 . 2]" 1
197 1 7 DG H1' 1 7 DG H3' 4.390 3.510 4.390 3.778 3.758 3.788 . 0 0 "[ . 1 . 2]" 1
198 1 7 DG H1' 1 7 DG H4' 3.050 2.710 3.050 2.853 2.771 2.897 . 0 0 "[ . 1 . 2]" 1
199 1 7 DG H1' 1 8 DT H2' 5.090 3.640 5.090 4.464 4.390 4.603 . 0 0 "[ . 1 . 2]" 1
200 1 7 DG H1' 1 8 DT H3' 5.050 3.890 5.050 5.060 5.053 5.068 0.018 7 0 "[ . 1 . 2]" 1
201 1 7 DG H1' 1 8 DT H4' 5.460 4.100 5.460 4.037 4.026 4.044 0.074 14 0 "[ . 1 . 2]" 1
202 1 7 DG H2'' 1 8 DT H2' 4.810 3.480 4.810 3.624 3.569 3.678 . 0 0 "[ . 1 . 2]" 1
203 1 7 DG H2' 1 8 DT H2' 4.880 3.440 4.880 5.061 5.034 5.076 0.196 8 0 "[ . 1 . 2]" 1
204 1 6 DC H1' 1 7 DG H8 4.050 3.240 4.050 4.081 4.066 4.096 0.046 7 0 "[ . 1 . 2]" 1
205 1 6 DC H2'' 1 7 DG H8 2.900 2.550 2.900 2.462 2.453 2.478 0.097 9 0 "[ . 1 . 2]" 1
206 1 6 DC H2' 1 7 DG H8 3.610 2.970 3.610 3.187 3.123 3.224 . 0 0 "[ . 1 . 2]" 1
207 1 6 DC H3' 1 7 DG H8 4.720 3.750 4.720 4.823 4.806 4.845 0.125 2 0 "[ . 1 . 2]" 1
208 1 6 DC H5 1 7 DG H8 5.760 4.430 5.760 5.741 5.696 5.780 0.020 2 0 "[ . 1 . 2]" 1
209 1 6 DC H6 1 7 DG H8 6.390 4.860 6.390 4.825 4.801 4.842 0.059 14 0 "[ . 1 . 2]" 1
210 1 7 DG H2'' 1 7 DG H8 3.080 2.600 3.080 3.305 3.293 3.309 0.229 2 0 "[ . 1 . 2]" 1
211 1 7 DG H2' 1 7 DG H8 2.440 2.110 2.440 2.084 2.080 2.088 0.030 6 0 "[ . 1 . 2]" 1
212 1 7 DG H3' 1 7 DG H8 4.930 3.840 4.930 3.950 3.916 4.008 . 0 0 "[ . 1 . 2]" 1
213 1 7 DG H4' 1 7 DG H8 5.440 4.120 5.440 4.797 4.766 4.833 . 0 0 "[ . 1 . 2]" 1
214 1 7 DG H5' 1 7 DG H8 5.130 3.830 5.130 4.366 4.316 4.416 . 0 0 "[ . 1 . 2]" 1
215 1 7 DG H8 1 8 DT H6 5.330 3.910 5.330 4.223 4.202 4.239 . 0 0 "[ . 1 . 2]" 1
216 1 6 DC H1' 1 6 DC H5 5.850 4.380 5.850 5.506 5.491 5.517 . 0 0 "[ . 1 . 2]" 1
217 1 9 DG H1' 1 9 DG H2'' 2.390 2.020 2.390 2.395 2.393 2.397 0.007 10 0 "[ . 1 . 2]" 1
218 1 9 DG H1' 1 9 DG H2' 3.210 2.490 3.210 3.031 3.028 3.033 . 0 0 "[ . 1 . 2]" 1
219 1 9 DG H1' 1 9 DG H3' 4.650 3.640 4.650 3.707 3.698 3.743 . 0 0 "[ . 1 . 2]" 1
220 1 9 DG H1' 1 9 DG H4' 2.970 2.640 2.970 2.994 2.970 3.000 0.030 2 0 "[ . 1 . 2]" 1
221 1 9 DG H1' 1 9 DG H8 4.750 3.550 4.750 3.936 3.896 3.947 . 0 0 "[ . 1 . 2]" 1
222 1 9 DG H2'' 1 9 DG H8 3.550 2.810 3.550 3.494 3.262 3.552 0.002 14 0 "[ . 1 . 2]" 1
223 1 9 DG H2' 1 9 DG H8 2.650 2.320 2.650 2.336 2.308 2.350 0.012 7 0 "[ . 1 . 2]" 1
224 1 9 DG H3' 1 9 DG H8 4.600 3.760 4.600 4.607 4.604 4.611 0.011 10 0 "[ . 1 . 2]" 1
225 1 9 DG H4' 1 9 DG H8 5.970 4.610 5.970 5.217 5.165 5.462 . 0 0 "[ . 1 . 2]" 1
226 1 8 DT H1' 1 9 DG H8 5.020 3.910 5.020 4.165 3.893 4.258 0.017 7 0 "[ . 1 . 2]" 1
227 1 8 DT H2'' 1 9 DG H8 3.240 2.860 3.240 2.724 2.646 2.751 0.214 7 0 "[ . 1 . 2]" 1
228 1 8 DT H2' 1 9 DG H8 3.830 3.220 3.830 3.869 3.798 3.976 0.146 7 0 "[ . 1 . 2]" 1
229 1 8 DT H3' 1 9 DG H8 5.060 4.000 5.060 5.194 5.146 5.209 0.149 17 0 "[ . 1 . 2]" 1
230 1 8 DT H6 1 9 DG H8 6.640 5.150 6.640 5.131 5.124 5.136 0.026 6 0 "[ . 1 . 2]" 1
231 1 8 DT H1' 1 9 DG H3' 5.450 4.330 5.450 5.357 4.926 5.446 . 0 0 "[ . 1 . 2]" 1
232 1 8 DT H1' 1 8 DT H2'' 2.290 . 2.290 2.345 2.341 2.366 0.076 7 0 "[ . 1 . 2]" 1
233 1 8 DT H1' 1 8 DT H2' 3.780 2.760 3.780 3.009 3.003 3.029 . 0 0 "[ . 1 . 2]" 1
234 1 8 DT H1' 1 8 DT H3' 4.600 3.530 4.600 3.750 3.677 3.815 . 0 0 "[ . 1 . 2]" 1
235 1 8 DT H1' 1 8 DT H4' 2.720 2.370 2.720 2.810 2.797 2.815 0.095 8 0 "[ . 1 . 2]" 1
236 1 8 DT H2'' 1 9 DG H2' 3.510 2.870 3.510 3.444 2.996 3.523 0.013 14 0 "[ . 1 . 2]" 1
237 1 8 DT H2'' 1 8 DT H3' 2.830 2.470 2.830 2.637 2.578 2.684 . 0 0 "[ . 1 . 2]" 1
238 1 8 DT H2' 1 8 DT H3' 2.640 2.300 2.640 2.228 2.183 2.268 0.117 8 0 "[ . 1 . 2]" 1
239 1 8 DT H2'' 1 8 DT H4' 3.920 3.040 3.920 3.760 3.725 3.784 . 0 0 "[ . 1 . 2]" 1
240 1 8 DT H2' 1 8 DT H4' 3.570 2.970 3.570 3.651 3.647 3.680 0.110 7 0 "[ . 1 . 2]" 1
241 1 7 DG H1' 1 8 DT H6 3.240 2.710 3.240 3.081 3.036 3.192 . 0 0 "[ . 1 . 2]" 1
242 1 7 DG H2'' 1 8 DT H6 2.620 2.270 2.620 2.126 2.121 2.130 0.149 7 0 "[ . 1 . 2]" 1
243 1 7 DG H2' 1 8 DT H6 3.210 2.670 3.210 3.272 3.248 3.293 0.083 7 0 "[ . 1 . 2]" 1
244 1 7 DG H3' 1 8 DT H6 5.260 3.890 5.260 4.830 4.816 4.842 . 0 0 "[ . 1 . 2]" 1
245 1 7 DG H4' 1 8 DT H6 5.490 4.080 5.490 5.535 5.530 5.544 0.054 15 0 "[ . 1 . 2]" 1
246 1 8 DT H1' 1 8 DT H6 3.850 2.960 3.850 3.668 3.628 3.674 . 0 0 "[ . 1 . 2]" 1
247 1 8 DT H2'' 1 8 DT H6 3.640 2.670 3.640 3.631 3.505 3.663 0.023 15 0 "[ . 1 . 2]" 1
248 1 8 DT H2' 1 8 DT H6 2.330 . 2.330 2.147 2.102 2.154 . 0 0 "[ . 1 . 2]" 1
249 1 8 DT H3' 1 8 DT H6 3.960 3.120 3.960 3.954 3.808 4.019 0.059 7 0 "[ . 1 . 2]" 1
250 1 8 DT H4' 1 8 DT H6 4.730 3.510 4.730 4.325 4.292 4.373 . 0 0 "[ . 1 . 2]" 1
251 1 8 DT H5' 1 8 DT H6 5.360 3.810 5.360 3.801 3.793 3.841 0.017 15 0 "[ . 1 . 2]" 1
252 1 8 DT H5'' 1 8 DT H6 4.250 3.280 4.250 4.426 4.422 4.431 0.181 15 0 "[ . 1 . 2]" 1
253 2 3 DA H1' 2 3 DA H2'' 2.330 2.030 2.330 2.371 2.354 2.385 0.055 7 0 "[ . 1 . 2]" 1
254 2 3 DA H1' 2 3 DA H2' 2.870 2.310 2.870 2.956 2.951 2.966 0.096 17 0 "[ . 1 . 2]" 1
255 2 3 DA H1' 2 3 DA H3' 4.590 3.320 4.590 3.612 3.517 3.668 . 0 0 "[ . 1 . 2]" 1
256 2 3 DA H1' 2 3 DA H4' 3.090 2.720 3.090 2.922 2.746 3.093 0.003 9 0 "[ . 1 . 2]" 1
257 2 3 DA H1' 2 3 DA H5' 3.720 2.910 3.720 4.013 3.981 4.031 0.311 6 0 "[ . 1 . 2]" 1
258 2 3 DA H1' 2 4 DC H1' 4.600 3.440 4.600 4.600 4.525 4.647 0.047 6 0 "[ . 1 . 2]" 1
259 2 3 DA H1' 2 4 DC H2' 4.770 3.320 4.770 3.919 3.601 4.027 . 0 0 "[ . 1 . 2]" 1
260 2 3 DA H1' 2 4 DC H5 4.810 3.700 4.810 4.406 4.095 4.488 . 0 0 "[ . 1 . 2]" 1
261 2 3 DA H1' 2 4 DC H3' 5.320 4.080 5.320 4.828 4.430 4.940 . 0 0 "[ . 1 . 2]" 1
262 2 3 DA H1' 2 3 DA H2 4.690 3.800 4.690 4.684 4.596 4.702 0.012 15 0 "[ . 1 . 2]" 1
263 1 9 DG H1' 2 3 DA H2 4.630 3.810 4.630 4.393 4.260 4.642 0.012 7 0 "[ . 1 . 2]" 1
264 1 8 DT H1' 2 3 DA H2 4.600 3.740 4.600 4.668 4.636 4.682 0.082 10 0 "[ . 1 . 2]" 1
265 2 3 DA H2'' 2 4 DC H2'' 4.660 3.380 4.660 4.897 4.800 4.930 0.270 19 0 "[ . 1 . 2]" 1
266 2 3 DA H2'' 2 4 DC H2' 4.150 3.130 4.150 3.337 3.223 3.380 . 0 0 "[ . 1 . 2]" 1
267 2 3 DA H2'' 2 3 DA H3' 2.770 2.350 2.770 2.859 2.812 2.874 0.104 8 0 "[ . 1 . 2]" 1
268 2 3 DA H2' 2 3 DA H3' 2.410 2.030 2.410 2.370 2.350 2.438 0.028 7 0 "[ . 1 . 2]" 1
269 2 3 DA H3' 2 3 DA H4' 2.670 2.340 2.670 2.707 2.685 2.720 0.050 7 0 "[ . 1 . 2]" 1
270 2 3 DA H3' 2 3 DA H5'' 2.360 2.030 2.360 2.485 2.469 2.499 0.139 9 0 "[ . 1 . 2]" 1
271 2 3 DA H3' 2 4 DC H5' 3.760 2.900 3.760 3.899 3.821 3.925 0.165 6 0 "[ . 1 . 2]" 1
272 2 3 DA H2'' 2 3 DA H4' 4.620 3.440 4.620 4.059 4.004 4.117 . 0 0 "[ . 1 . 2]" 1
273 2 3 DA H2' 2 3 DA H4' 4.410 3.380 4.410 3.808 3.779 3.824 . 0 0 "[ . 1 . 2]" 1
274 2 3 DA H1' 2 3 DA H8 5.590 4.070 5.590 3.945 3.933 3.950 0.137 17 0 "[ . 1 . 2]" 1
275 2 3 DA H2'' 2 3 DA H8 3.140 2.700 3.140 3.379 3.300 3.403 0.263 8 0 "[ . 1 . 2]" 1
276 2 3 DA H2' 2 3 DA H8 2.520 2.180 2.520 2.194 2.175 2.284 0.005 9 0 "[ . 1 . 2]" 1
277 2 3 DA H3' 2 3 DA H8 6.000 4.400 6.000 4.413 4.346 4.672 0.054 9 0 "[ . 1 . 2]" 1
278 2 3 DA H4' 2 3 DA H8 5.910 4.310 5.910 5.220 5.151 5.394 . 0 0 "[ . 1 . 2]" 1
279 2 3 DA H5' 2 3 DA H8 4.740 3.660 4.740 4.313 4.054 4.742 0.002 7 0 "[ . 1 . 2]" 1
280 2 2 DC H1' 2 3 DA H8 4.280 3.330 4.280 3.818 3.536 4.055 . 0 0 "[ . 1 . 2]" 1
281 2 2 DC H2'' 2 3 DA H8 3.290 2.770 3.290 2.751 2.734 2.800 0.036 6 0 "[ . 1 . 2]" 1
282 2 2 DC H2' 2 3 DA H8 4.640 3.370 4.640 4.038 3.818 4.203 . 0 0 "[ . 1 . 2]" 1
283 2 2 DC H3' 2 3 DA H8 5.500 4.200 5.500 5.482 5.460 5.504 0.004 7 0 "[ . 1 . 2]" 1
284 2 2 DC H5 2 3 DA H8 6.000 4.590 6.000 5.940 5.479 6.012 0.012 15 0 "[ . 1 . 2]" 1
285 2 2 DC H6 2 3 DA H8 5.860 4.420 5.860 4.858 4.522 4.952 . 0 0 "[ . 1 . 2]" 1
286 2 3 DA H8 2 4 DC H5 3.920 3.440 3.920 3.493 3.453 3.519 . 0 0 "[ . 1 . 2]" 1
287 2 3 DA H8 2 4 DC H6 6.220 4.670 6.220 4.538 4.510 4.616 0.160 12 0 "[ . 1 . 2]" 1
288 2 2 DC H1' 2 3 DA H3' 5.230 3.900 5.230 5.022 4.943 5.073 . 0 0 "[ . 1 . 2]" 1
289 2 2 DC H1' 2 2 DC H2'' 2.370 2.040 2.370 2.385 2.381 2.388 0.018 6 0 "[ . 1 . 2]" 1
290 2 2 DC H1' 2 2 DC H2' 4.020 2.980 4.020 3.048 3.046 3.050 . 0 0 "[ . 1 . 2]" 1
291 2 2 DC H1' 2 2 DC H3' 4.450 3.510 4.450 3.664 3.659 3.672 . 0 0 "[ . 1 . 2]" 1
292 2 2 DC H1' 2 2 DC H4' 2.900 2.570 2.900 2.967 2.934 2.972 0.072 2 0 "[ . 1 . 2]" 1
293 2 2 DC H2' 2 2 DC H3' 2.640 2.300 2.640 2.363 2.334 2.372 . 0 0 "[ . 1 . 2]" 1
294 2 2 DC H1' 2 2 DC H5 5.610 4.020 5.610 5.484 5.474 5.497 . 0 0 "[ . 1 . 2]" 1
295 2 2 DC H2' 2 2 DC H5 4.450 3.340 4.450 4.416 4.395 4.441 . 0 0 "[ . 1 . 2]" 1
296 2 2 DC H1' 2 2 DC H6 3.760 2.940 3.760 3.739 3.733 3.746 . 0 0 "[ . 1 . 2]" 1
297 2 2 DC H2'' 2 2 DC H6 4.130 2.960 4.130 3.469 3.290 3.510 . 0 0 "[ . 1 . 2]" 1
298 2 2 DC H2' 2 2 DC H6 2.340 . 2.340 2.129 2.075 2.151 . 0 0 "[ . 1 . 2]" 1
299 2 2 DC H3' 2 2 DC H6 4.730 3.600 4.730 4.187 4.141 4.252 . 0 0 "[ . 1 . 2]" 1
300 2 2 DC H4' 2 2 DC H6 5.560 4.080 5.560 4.592 4.554 4.808 . 0 0 "[ . 1 . 2]" 1
301 2 4 DC H1' 2 4 DC H2'' 2.340 . 2.340 2.444 2.410 2.467 0.127 9 0 "[ . 1 . 2]" 1
302 2 4 DC H1' 2 4 DC H2' 3.610 2.660 3.610 3.017 2.977 3.030 . 0 0 "[ . 1 . 2]" 1
303 2 4 DC H1' 2 4 DC H3' 5.030 3.780 5.030 3.680 3.666 3.713 0.114 9 0 "[ . 1 . 2]" 1
304 2 4 DC H1' 2 4 DC H4' 2.680 2.370 2.680 2.779 2.711 2.806 0.126 9 0 "[ . 1 . 2]" 1
305 2 4 DC H1' 2 4 DC H5 6.220 4.670 6.220 5.482 5.460 5.491 . 0 0 "[ . 1 . 2]" 1
306 2 4 DC H1' 2 5 DG H3' 5.930 4.820 5.930 5.424 5.308 5.539 . 0 0 "[ . 1 . 2]" 1
307 2 4 DC H2' 2 4 DC H3' 2.490 2.170 2.490 2.282 2.196 2.326 . 0 0 "[ . 1 . 2]" 1
308 2 3 DA H2'' 2 4 DC H5 3.600 3.110 3.600 3.358 3.112 3.427 . 0 0 "[ . 1 . 2]" 1
309 2 3 DA H2' 2 4 DC H5 3.870 3.290 3.870 3.911 3.899 3.940 0.070 14 0 "[ . 1 . 2]" 1
310 2 3 DA H3' 2 4 DC H5 6.280 4.780 6.280 6.005 5.864 6.047 . 0 0 "[ . 1 . 2]" 1
311 2 4 DC H2' 2 4 DC H5 4.390 3.590 4.390 4.382 4.365 4.392 0.002 13 0 "[ . 1 . 2]" 1
312 2 3 DA H2'' 2 4 DC H5' 4.570 3.410 4.570 3.431 3.341 3.781 0.069 15 0 "[ . 1 . 2]" 1
313 2 4 DC H2' 2 4 DC H5' 3.680 2.840 3.680 3.758 3.716 3.773 0.093 8 0 "[ . 1 . 2]" 1
314 2 3 DA H1' 2 4 DC H6 3.250 2.800 3.250 3.275 3.150 3.302 0.052 1 0 "[ . 1 . 2]" 1
315 2 3 DA H2'' 2 4 DC H6 2.760 2.420 2.760 2.326 2.284 2.350 0.136 7 0 "[ . 1 . 2]" 1
316 2 3 DA H2' 2 4 DC H6 3.990 3.020 3.990 3.797 3.760 3.911 . 0 0 "[ . 1 . 2]" 1
317 2 3 DA H3' 2 4 DC H6 5.370 3.790 5.370 5.131 4.914 5.202 . 0 0 "[ . 1 . 2]" 1
318 2 3 DA H4' 2 4 DC H6 6.130 4.640 6.130 5.849 5.590 6.025 . 0 0 "[ . 1 . 2]" 1
319 2 4 DC H1' 2 4 DC H6 3.800 2.900 3.800 3.746 3.719 3.795 . 0 0 "[ . 1 . 2]" 1
320 2 4 DC H2'' 2 4 DC H6 4.530 3.190 4.530 3.211 3.197 3.232 . 0 0 "[ . 1 . 2]" 1
321 2 4 DC H2' 2 4 DC H6 2.480 2.150 2.480 2.072 2.063 2.082 0.087 6 0 "[ . 1 . 2]" 1
322 2 4 DC H3' 2 4 DC H6 4.940 3.660 4.940 4.251 4.124 4.307 . 0 0 "[ . 1 . 2]" 1
323 2 6 DC H1' 2 6 DC H2'' 2.350 2.010 2.350 2.257 2.210 2.318 . 0 0 "[ . 1 . 2]" 1
324 2 6 DC H1' 2 6 DC H2' 3.720 2.750 3.720 2.998 2.973 3.009 . 0 0 "[ . 1 . 2]" 1
325 2 6 DC H1' 2 6 DC H3' 4.590 3.530 4.590 3.755 3.738 3.793 . 0 0 "[ . 1 . 2]" 1
326 2 6 DC H1' 2 6 DC H4' 2.720 2.410 2.720 2.743 2.589 2.789 0.069 1 0 "[ . 1 . 2]" 1
327 2 6 DC H2' 2 6 DC H3' 2.550 2.230 2.550 2.196 2.163 2.203 0.067 17 0 "[ . 1 . 2]" 1
328 2 6 DC H2' 2 6 DC H5 4.070 3.390 4.070 4.129 4.094 4.138 0.068 2 0 "[ . 1 . 2]" 1
329 2 5 DG H2'' 2 6 DC H5 3.680 3.140 3.680 3.040 2.996 3.076 0.144 11 0 "[ . 1 . 2]" 1
330 2 5 DG H2' 2 6 DC H5 3.560 3.120 3.560 3.618 3.576 3.676 0.116 2 0 "[ . 1 . 2]" 1
331 2 5 DG H3' 2 6 DC H5 5.800 4.580 5.800 5.339 5.305 5.429 . 0 0 "[ . 1 . 2]" 1
332 2 6 DC H1' 2 6 DC H6 3.990 3.060 3.990 3.728 3.699 3.734 . 0 0 "[ . 1 . 2]" 1
333 2 6 DC H2'' 2 6 DC H6 4.380 3.220 4.380 3.697 3.668 3.771 . 0 0 "[ . 1 . 2]" 1
334 2 6 DC H2' 2 6 DC H6 2.380 2.050 2.380 2.163 2.144 2.225 . 0 0 "[ . 1 . 2]" 1
335 2 6 DC H3' 2 6 DC H6 4.070 3.270 4.070 3.476 3.268 3.538 0.002 17 0 "[ . 1 . 2]" 1
336 2 5 DG H1' 2 6 DC H6 3.130 2.700 3.130 2.670 2.662 2.685 0.038 2 0 "[ . 1 . 2]" 1
337 2 5 DG H2'' 2 6 DC H6 2.820 2.470 2.820 2.334 2.294 2.363 0.176 17 0 "[ . 1 . 2]" 1
338 2 5 DG H3' 2 6 DC H6 4.420 3.660 4.420 4.644 4.574 4.671 0.251 5 0 "[ . 1 . 2]" 1
339 2 5 DG H4' 2 6 DC H6 5.400 4.070 5.400 5.440 5.374 5.470 0.070 17 0 "[ . 1 . 2]" 1
340 2 5 DG H1' 2 6 DC H3' 4.410 3.500 4.410 4.521 4.442 4.549 0.139 3 0 "[ . 1 . 2]" 1
341 2 5 DG H1' 2 6 DC H5 4.970 3.920 4.970 4.072 3.946 4.135 . 0 0 "[ . 1 . 2]" 1
342 2 5 DG H1' 2 5 DG H2'' 2.370 . 2.370 2.399 2.391 2.418 0.048 2 0 "[ . 1 . 2]" 1
343 2 5 DG H1' 2 5 DG H2' 2.960 2.330 2.960 3.005 2.998 3.020 0.060 2 0 "[ . 1 . 2]" 1
344 2 5 DG H1' 2 5 DG H3' 4.420 3.490 4.420 3.633 3.573 3.658 . 0 0 "[ . 1 . 2]" 1
345 2 5 DG H1' 2 5 DG H4' 3.070 2.740 3.070 3.093 3.079 3.110 0.040 7 0 "[ . 1 . 2]" 1
346 2 5 DG H2'' 2 6 DC H2' 4.120 3.200 4.120 4.169 4.152 4.224 0.104 17 0 "[ . 1 . 2]" 1
347 2 4 DC H1' 2 5 DG H8 3.490 3.030 3.490 3.381 3.018 3.524 0.034 2 0 "[ . 1 . 2]" 1
348 2 4 DC H2'' 2 5 DG H8 3.170 2.800 3.170 2.531 2.525 2.535 0.275 2 0 "[ . 1 . 2]" 1
349 2 4 DC H2' 2 5 DG H8 3.550 3.070 3.550 3.785 3.749 3.810 0.260 7 0 "[ . 1 . 2]" 1
350 2 4 DC H3' 2 5 DG H8 4.850 3.920 4.850 4.993 4.981 4.999 0.149 17 0 "[ . 1 . 2]" 1
351 2 4 DC H6 2 5 DG H8 5.870 4.500 5.870 4.398 4.365 4.414 0.135 7 0 "[ . 1 . 2]" 1
352 2 5 DG H8 2 6 DC H5 4.100 3.510 4.100 3.889 3.780 3.959 . 0 0 "[ . 1 . 2]" 1
353 2 5 DG H8 2 6 DC H6 6.590 4.990 6.590 4.886 4.863 4.929 0.127 20 0 "[ . 1 . 2]" 1
354 2 5 DG H1' 2 5 DG H8 5.460 4.050 5.460 3.995 3.974 4.007 0.076 11 0 "[ . 1 . 2]" 1
355 2 5 DG H2'' 2 5 DG H8 3.430 2.750 3.430 3.581 3.545 3.605 0.175 17 0 "[ . 1 . 2]" 1
356 2 5 DG H2' 2 5 DG H8 2.630 2.290 2.630 2.235 2.217 2.256 0.073 14 0 "[ . 1 . 2]" 1
357 2 5 DG H3' 2 5 DG H8 4.530 3.730 4.530 4.300 4.154 4.545 0.015 13 0 "[ . 1 . 2]" 1
358 2 5 DG H4' 2 5 DG H8 5.690 4.330 5.690 4.953 4.801 5.141 . 0 0 "[ . 1 . 2]" 1
359 2 7 DG H1' 2 7 DG H2'' 2.270 . 2.270 2.313 2.293 2.318 0.048 19 0 "[ . 1 . 2]" 1
360 2 7 DG H1' 2 7 DG H2' 3.070 2.390 3.070 3.015 3.013 3.025 . 0 0 "[ . 1 . 2]" 1
361 2 7 DG H1' 2 7 DG H3' 4.390 3.510 4.390 3.781 3.772 3.872 . 0 0 "[ . 1 . 2]" 1
362 2 7 DG H1' 2 7 DG H4' 3.050 2.710 3.050 2.853 2.697 2.944 0.013 17 0 "[ . 1 . 2]" 1
363 2 7 DG H1' 2 8 DT H2' 5.090 3.640 5.090 4.453 4.344 4.544 . 0 0 "[ . 1 . 2]" 1
364 2 7 DG H1' 2 8 DT H3' 5.050 3.890 5.050 5.051 4.816 5.089 0.039 17 0 "[ . 1 . 2]" 1
365 2 7 DG H1' 2 8 DT H4' 5.460 4.100 5.460 4.041 4.019 4.073 0.081 17 0 "[ . 1 . 2]" 1
366 2 7 DG H2'' 2 8 DT H2' 4.810 3.480 4.810 3.618 3.587 3.643 . 0 0 "[ . 1 . 2]" 1
367 2 7 DG H2' 2 8 DT H2' 4.880 3.440 4.880 5.058 5.024 5.065 0.185 3 0 "[ . 1 . 2]" 1
368 2 6 DC H1' 2 7 DG H8 4.050 3.240 4.050 4.082 4.066 4.092 0.042 7 0 "[ . 1 . 2]" 1
369 2 6 DC H2'' 2 7 DG H8 2.900 2.550 2.900 2.460 2.452 2.479 0.098 18 0 "[ . 1 . 2]" 1
370 2 6 DC H2' 2 7 DG H8 3.610 2.970 3.610 3.192 3.064 3.223 . 0 0 "[ . 1 . 2]" 1
371 2 6 DC H3' 2 7 DG H8 4.720 3.750 4.720 4.820 4.790 4.844 0.124 2 0 "[ . 1 . 2]" 1
372 2 6 DC H5 2 7 DG H8 5.760 4.430 5.760 5.728 5.656 5.780 0.020 2 0 "[ . 1 . 2]" 1
373 2 6 DC H6 2 7 DG H8 6.390 4.860 6.390 4.829 4.802 4.841 0.058 12 0 "[ . 1 . 2]" 1
374 2 7 DG H2'' 2 7 DG H8 3.080 2.600 3.080 3.307 3.289 3.352 0.272 19 0 "[ . 1 . 2]" 1
375 2 7 DG H2' 2 7 DG H8 2.440 2.110 2.440 2.085 2.078 2.088 0.032 19 0 "[ . 1 . 2]" 1
376 2 7 DG H3' 2 7 DG H8 4.930 3.840 4.930 3.947 3.780 3.967 0.060 19 0 "[ . 1 . 2]" 1
377 2 7 DG H4' 2 7 DG H8 5.440 4.120 5.440 4.805 4.791 4.880 . 0 0 "[ . 1 . 2]" 1
378 2 7 DG H5' 2 7 DG H8 5.130 3.830 5.130 4.390 4.328 4.844 . 0 0 "[ . 1 . 2]" 1
379 2 7 DG H8 2 8 DT H6 5.330 3.910 5.330 4.218 4.200 4.237 . 0 0 "[ . 1 . 2]" 1
380 2 6 DC H1' 2 6 DC H5 5.850 4.380 5.850 5.507 5.491 5.513 . 0 0 "[ . 1 . 2]" 1
381 2 9 DG H1' 2 9 DG H2'' 2.390 2.020 2.390 2.395 2.393 2.396 0.006 19 0 "[ . 1 . 2]" 1
382 2 9 DG H1' 2 9 DG H2' 3.210 2.490 3.210 3.031 3.029 3.032 . 0 0 "[ . 1 . 2]" 1
383 2 9 DG H1' 2 9 DG H3' 4.650 3.640 4.650 3.704 3.696 3.706 . 0 0 "[ . 1 . 2]" 1
384 2 9 DG H1' 2 9 DG H4' 2.970 2.640 2.970 2.998 2.994 3.001 0.031 2 0 "[ . 1 . 2]" 1
385 2 9 DG H1' 2 9 DG H8 4.750 3.550 4.750 3.940 3.938 3.943 . 0 0 "[ . 1 . 2]" 1
386 2 9 DG H2'' 2 9 DG H8 3.550 2.810 3.550 3.527 3.514 3.552 0.002 19 0 "[ . 1 . 2]" 1
387 2 9 DG H2' 2 9 DG H8 2.650 2.320 2.650 2.340 2.334 2.351 . 0 0 "[ . 1 . 2]" 1
388 2 9 DG H3' 2 9 DG H8 4.600 3.760 4.600 4.607 4.606 4.611 0.011 3 0 "[ . 1 . 2]" 1
389 2 9 DG H4' 2 9 DG H8 5.970 4.610 5.970 5.183 5.158 5.205 . 0 0 "[ . 1 . 2]" 1
390 2 8 DT H1' 2 9 DG H8 5.020 3.910 5.020 4.182 3.983 4.245 . 0 0 "[ . 1 . 2]" 1
391 2 8 DT H2'' 2 9 DG H8 3.240 2.860 3.240 2.727 2.709 2.737 0.151 19 0 "[ . 1 . 2]" 1
392 2 8 DT H2' 2 9 DG H8 3.830 3.220 3.830 3.869 3.856 3.876 0.046 3 0 "[ . 1 . 2]" 1
393 2 8 DT H3' 2 9 DG H8 5.060 4.000 5.060 5.196 5.186 5.228 0.168 19 0 "[ . 1 . 2]" 1
394 2 8 DT H6 2 9 DG H8 6.640 5.150 6.640 5.130 5.122 5.139 0.028 3 0 "[ . 1 . 2]" 1
395 2 8 DT H1' 2 9 DG H3' 5.450 4.330 5.450 5.429 5.339 5.448 . 0 0 "[ . 1 . 2]" 1
396 2 8 DT H1' 2 8 DT H2'' 2.290 . 2.290 2.342 2.340 2.344 0.054 3 0 "[ . 1 . 2]" 1
397 2 8 DT H1' 2 8 DT H2' 3.780 2.760 3.780 3.009 3.006 3.011 . 0 0 "[ . 1 . 2]" 1
398 2 8 DT H1' 2 8 DT H3' 4.600 3.530 4.600 3.746 3.740 3.784 . 0 0 "[ . 1 . 2]" 1
399 2 8 DT H1' 2 8 DT H4' 2.720 2.370 2.720 2.808 2.756 2.812 0.092 11 0 "[ . 1 . 2]" 1
400 2 8 DT H2'' 2 9 DG H2' 3.510 2.870 3.510 3.514 3.512 3.520 0.010 19 0 "[ . 1 . 2]" 1
401 2 8 DT H2'' 2 8 DT H3' 2.830 2.470 2.830 2.638 2.626 2.654 . 0 0 "[ . 1 . 2]" 1
402 2 8 DT H2' 2 8 DT H3' 2.640 2.300 2.640 2.230 2.214 2.234 0.086 19 0 "[ . 1 . 2]" 1
403 2 8 DT H2'' 2 8 DT H4' 3.920 3.040 3.920 3.763 3.697 3.769 . 0 0 "[ . 1 . 2]" 1
404 2 8 DT H2' 2 8 DT H4' 3.570 2.970 3.570 3.649 3.647 3.659 0.089 19 0 "[ . 1 . 2]" 1
405 2 7 DG H1' 2 8 DT H6 3.240 2.710 3.240 3.073 2.952 3.213 . 0 0 "[ . 1 . 2]" 1
406 2 7 DG H2'' 2 8 DT H6 2.620 2.270 2.620 2.128 2.121 2.179 0.149 2 0 "[ . 1 . 2]" 1
407 2 7 DG H2' 2 8 DT H6 3.210 2.670 3.210 3.274 3.266 3.279 0.069 2 0 "[ . 1 . 2]" 1
408 2 7 DG H3' 2 8 DT H6 5.260 3.890 5.260 4.837 4.822 4.960 . 0 0 "[ . 1 . 2]" 1
409 2 7 DG H4' 2 8 DT H6 5.490 4.080 5.490 5.530 5.494 5.537 0.047 12 0 "[ . 1 . 2]" 1
410 2 8 DT H1' 2 8 DT H6 3.850 2.960 3.850 3.671 3.658 3.682 . 0 0 "[ . 1 . 2]" 1
411 2 8 DT H2'' 2 8 DT H6 3.640 2.670 3.640 3.633 3.615 3.649 0.009 19 0 "[ . 1 . 2]" 1
412 2 8 DT H2' 2 8 DT H6 2.330 . 2.330 2.151 2.124 2.155 . 0 0 "[ . 1 . 2]" 1
413 2 8 DT H3' 2 8 DT H6 3.960 3.120 3.960 3.963 3.885 3.973 0.013 2 0 "[ . 1 . 2]" 1
414 2 8 DT H4' 2 8 DT H6 4.730 3.510 4.730 4.325 4.283 4.349 . 0 0 "[ . 1 . 2]" 1
415 2 8 DT H5' 2 8 DT H6 5.360 3.810 5.360 3.813 3.798 4.070 0.012 2 0 "[ . 1 . 2]" 1
416 2 8 DT H5'' 2 8 DT H6 4.250 3.280 4.250 4.429 4.423 4.494 0.244 19 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 28
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 1.586
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0053
_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 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 DA 0.029 0.019 19 0 "[ . 1 . 2]"
1 4 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 DT 0.051 0.019 7 0 "[ . 1 . 2]"
1 9 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 DA 0.051 0.019 7 0 "[ . 1 . 2]"
2 4 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DT 0.029 0.019 19 0 "[ . 1 . 2]"
2 9 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 DG 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 DC O2 2 10 DG H21 . . 2.100 1.926 1.919 1.956 . 0 0 "[ . 1 . 2]" 2
2 1 1 DC N3 2 10 DG H1 . . 2.100 1.965 1.951 1.997 . 0 0 "[ . 1 . 2]" 2
3 1 1 DC H41 2 10 DG O6 . . 2.100 2.018 1.998 2.034 . 0 0 "[ . 1 . 2]" 2
4 1 2 DC O2 2 9 DG H21 . . 2.100 1.913 1.900 1.923 . 0 0 "[ . 1 . 2]" 2
5 1 2 DC N3 2 9 DG H1 . . 2.100 1.942 1.922 1.954 . 0 0 "[ . 1 . 2]" 2
6 1 2 DC H41 2 9 DG O6 . . 2.100 1.996 1.974 2.026 . 0 0 "[ . 1 . 2]" 2
7 1 3 DA N1 2 8 DT H3 . . 2.100 1.928 1.916 1.934 . 0 0 "[ . 1 . 2]" 2
8 1 3 DA H61 2 8 DT O4 . . 2.100 2.093 2.076 2.119 0.019 19 0 "[ . 1 . 2]" 2
9 1 4 DC O2 2 7 DG H21 . . 2.100 1.979 1.944 2.044 . 0 0 "[ . 1 . 2]" 2
10 1 4 DC N3 2 7 DG H1 . . 2.100 1.972 1.942 2.018 . 0 0 "[ . 1 . 2]" 2
11 1 4 DC H41 2 7 DG O6 . . 2.100 1.959 1.947 1.977 . 0 0 "[ . 1 . 2]" 2
12 1 5 DG H21 2 6 DC O2 . . 2.100 1.931 1.910 1.988 . 0 0 "[ . 1 . 2]" 2
13 1 5 DG H1 2 6 DC N3 . . 2.100 1.956 1.933 1.976 . 0 0 "[ . 1 . 2]" 2
14 1 5 DG O6 2 6 DC H41 . . 2.100 1.965 1.933 2.010 . 0 0 "[ . 1 . 2]" 2
15 1 6 DC O2 2 5 DG H21 . . 2.100 1.936 1.911 1.964 . 0 0 "[ . 1 . 2]" 2
16 1 6 DC N3 2 5 DG H1 . . 2.100 1.952 1.933 1.975 . 0 0 "[ . 1 . 2]" 2
17 1 6 DC H41 2 5 DG O6 . . 2.100 1.957 1.932 2.007 . 0 0 "[ . 1 . 2]" 2
18 1 7 DG H21 2 4 DC O2 . . 2.100 1.978 1.931 2.043 . 0 0 "[ . 1 . 2]" 2
19 1 7 DG H1 2 4 DC N3 . . 2.100 1.973 1.942 2.018 . 0 0 "[ . 1 . 2]" 2
20 1 7 DG O6 2 4 DC H41 . . 2.100 1.958 1.933 1.978 . 0 0 "[ . 1 . 2]" 2
21 1 8 DT H3 2 3 DA N1 . . 2.100 1.925 1.910 1.934 . 0 0 "[ . 1 . 2]" 2
22 1 8 DT O4 2 3 DA H61 . . 2.100 2.094 2.074 2.119 0.019 7 0 "[ . 1 . 2]" 2
23 1 9 DG H21 2 2 DC O2 . . 2.100 1.916 1.900 1.964 . 0 0 "[ . 1 . 2]" 2
24 1 9 DG H1 2 2 DC N3 . . 2.100 1.948 1.931 1.990 . 0 0 "[ . 1 . 2]" 2
25 1 9 DG O6 2 2 DC H41 . . 2.100 2.000 1.979 2.028 . 0 0 "[ . 1 . 2]" 2
26 1 10 DG H21 2 1 DC O2 . . 2.100 1.929 1.916 1.963 . 0 0 "[ . 1 . 2]" 2
27 1 10 DG H1 2 1 DC N3 . . 2.100 1.967 1.949 2.008 . 0 0 "[ . 1 . 2]" 2
28 1 10 DG O6 2 1 DC H41 . . 2.100 2.021 1.990 2.085 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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