NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644267 |
6l8m   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6l8m
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 54
_Distance_constraint_stats_list.Viol_count 122
_Distance_constraint_stats_list.Viol_total 26.462
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0217
_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 DG 0.598 0.065 2 0 "[ . 1]"
1 2 DG 0.368 0.106 6 0 "[ . 1]"
1 3 DG 0.223 0.056 6 0 "[ . 1]"
1 8 DC 0.223 0.056 6 0 "[ . 1]"
1 9 DG 0.479 0.106 6 0 "[ . 1]"
1 10 DG 0.671 0.065 2 0 "[ . 1]"
1 11 DG 0.676 0.066 10 0 "[ . 1]"
1 14 DG 0.438 0.066 10 0 "[ . 1]"
1 16 DG 0.195 0.029 1 0 "[ . 1]"
1 17 DG 0.166 0.041 6 0 "[ . 1]"
1 18 DG 0.238 0.059 3 0 "[ . 1]"
1 20 DG 0.305 0.029 5 0 "[ . 1]"
1 21 DG 0.238 0.041 6 0 "[ . 1]"
1 22 DG 0.476 0.046 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG N7 1 9 DG H21 2.000 . 2.200 1.905 1.694 2.082 0.106 6 0 "[ . 1]" 1
2 1 2 DG N7 1 9 DG N2 2.900 2.600 3.200 2.856 2.598 3.055 0.002 6 0 "[ . 1]" 1
3 1 2 DG O6 1 9 DG H1 2.000 . 2.200 2.204 2.092 2.232 0.032 6 0 "[ . 1]" 1
4 1 2 DG O6 1 9 DG N1 2.900 2.600 3.200 3.192 3.089 3.230 0.030 6 0 "[ . 1]" 1
5 1 2 DG H21 1 16 DG N7 2.000 . 2.200 2.045 1.900 2.205 0.005 6 0 "[ . 1]" 1
6 1 2 DG N2 1 16 DG N7 2.900 2.600 3.200 3.047 2.902 3.213 0.013 6 0 "[ . 1]" 1
7 1 2 DG H1 1 16 DG O6 2.000 . 2.200 2.088 1.945 2.220 0.020 5 0 "[ . 1]" 1
8 1 2 DG N1 1 16 DG O6 2.900 2.600 3.200 2.995 2.831 3.161 . 0 0 "[ . 1]" 1
9 1 16 DG H21 1 20 DG N7 2.000 . 2.200 2.111 1.829 2.229 0.029 1 0 "[ . 1]" 1
10 1 16 DG N2 1 20 DG N7 2.900 2.600 3.200 3.064 2.838 3.209 0.009 5 0 "[ . 1]" 1
11 1 16 DG H1 1 20 DG O6 2.000 . 2.200 1.935 1.780 2.168 0.020 7 0 "[ . 1]" 1
12 1 16 DG N1 1 20 DG O6 2.900 2.600 3.200 2.925 2.774 3.085 . 0 0 "[ . 1]" 1
13 1 9 DG N7 1 20 DG H21 2.000 . 2.200 2.182 2.062 2.229 0.029 5 0 "[ . 1]" 1
14 1 9 DG N7 1 20 DG N2 2.900 2.600 3.200 3.159 3.070 3.212 0.012 9 0 "[ . 1]" 1
15 1 9 DG O6 1 20 DG H1 2.000 . 2.200 1.980 1.782 2.143 0.018 8 0 "[ . 1]" 1
16 1 9 DG O6 1 20 DG N1 2.900 2.600 3.200 2.970 2.773 3.145 . 0 0 "[ . 1]" 1
17 1 1 DG N7 1 10 DG H21 2.000 . 2.200 1.799 1.735 2.088 0.065 2 0 "[ . 1]" 1
18 1 1 DG N7 1 10 DG N2 2.900 2.600 3.200 2.772 2.675 3.093 . 0 0 "[ . 1]" 1
19 1 1 DG O6 1 10 DG H1 2.000 . 2.200 2.225 2.191 2.250 0.050 5 0 "[ . 1]" 1
20 1 1 DG O6 1 10 DG N1 2.900 2.600 3.200 3.038 2.933 3.144 . 0 0 "[ . 1]" 1
21 1 1 DG H21 1 17 DG N7 2.000 . 2.200 1.926 1.793 2.095 0.007 2 0 "[ . 1]" 1
22 1 1 DG N2 1 17 DG N7 2.900 2.600 3.200 2.917 2.783 3.103 . 0 0 "[ . 1]" 1
23 1 1 DG H1 1 17 DG O6 2.000 . 2.200 2.012 1.794 2.205 0.006 3 0 "[ . 1]" 1
24 1 1 DG N1 1 17 DG O6 2.900 2.600 3.200 2.942 2.765 3.183 . 0 0 "[ . 1]" 1
25 1 17 DG H21 1 21 DG N7 2.000 . 2.200 1.899 1.759 2.145 0.041 6 0 "[ . 1]" 1
26 1 17 DG N2 1 21 DG N7 2.900 2.600 3.200 2.888 2.760 3.110 . 0 0 "[ . 1]" 1
27 1 17 DG H1 1 21 DG O6 2.000 . 2.200 2.101 1.771 2.235 0.035 6 0 "[ . 1]" 1
28 1 17 DG N1 1 21 DG O6 2.900 2.600 3.200 2.967 2.774 3.162 . 0 0 "[ . 1]" 1
29 1 10 DG N7 1 21 DG H21 2.000 . 2.200 1.938 1.785 2.186 0.015 1 0 "[ . 1]" 1
30 1 10 DG N7 1 21 DG N2 2.900 2.600 3.200 2.918 2.758 3.134 . 0 0 "[ . 1]" 1
31 1 10 DG O6 1 21 DG H1 2.000 . 2.200 2.158 2.026 2.223 0.023 1 0 "[ . 1]" 1
32 1 10 DG O6 1 21 DG N1 2.900 2.600 3.200 3.102 3.033 3.174 . 0 0 "[ . 1]" 1
33 1 11 DG H21 1 14 DG N7 2.000 . 2.200 1.835 1.734 1.963 0.066 10 0 "[ . 1]" 1
34 1 11 DG N2 1 14 DG N7 2.900 2.600 3.200 2.818 2.667 2.971 . 0 0 "[ . 1]" 1
35 1 11 DG H1 1 14 DG O6 2.000 . 2.200 2.148 1.998 2.236 0.036 8 0 "[ . 1]" 1
36 1 11 DG N1 1 14 DG O6 2.900 2.600 3.200 3.017 2.818 3.175 . 0 0 "[ . 1]" 1
37 1 14 DG H21 1 18 DG N7 2.000 . 2.200 1.924 1.742 2.211 0.058 3 0 "[ . 1]" 1
38 1 14 DG N2 1 18 DG N7 2.900 2.600 3.200 2.903 2.695 3.171 . 0 0 "[ . 1]" 1
39 1 14 DG H1 1 18 DG O6 2.000 . 2.200 2.087 1.785 2.259 0.059 3 0 "[ . 1]" 1
40 1 14 DG N1 1 18 DG O6 2.900 2.600 3.200 2.943 2.784 3.121 . 0 0 "[ . 1]" 1
41 1 18 DG H21 1 22 DG N7 2.000 . 2.200 1.957 1.826 2.091 . 0 0 "[ . 1]" 1
42 1 18 DG N2 1 22 DG N7 2.900 2.600 3.200 2.940 2.811 3.065 . 0 0 "[ . 1]" 1
43 1 18 DG H1 1 22 DG O6 2.000 . 2.200 2.076 1.898 2.223 0.023 9 0 "[ . 1]" 1
44 1 18 DG N1 1 22 DG O6 2.900 2.600 3.200 3.001 2.806 3.152 . 0 0 "[ . 1]" 1
45 1 11 DG N7 1 22 DG H21 2.000 . 2.200 1.807 1.760 1.976 0.040 8 0 "[ . 1]" 1
46 1 11 DG N7 1 22 DG N2 2.900 2.600 3.200 2.803 2.730 2.962 . 0 0 "[ . 1]" 1
47 1 11 DG O6 1 22 DG H1 2.000 . 2.200 2.200 2.026 2.246 0.046 10 0 "[ . 1]" 1
48 1 11 DG O6 1 22 DG N1 2.900 2.600 3.200 3.085 2.810 3.191 . 0 0 "[ . 1]" 1
49 1 3 DG H21 1 8 DC O2 2.000 . 2.200 2.071 1.796 2.256 0.056 6 0 "[ . 1]" 1
50 1 3 DG N2 1 8 DC O2 2.900 2.600 3.200 3.041 2.754 3.207 0.007 3 0 "[ . 1]" 1
51 1 3 DG H1 1 8 DC N3 2.000 . 2.200 2.025 1.961 2.165 . 0 0 "[ . 1]" 1
52 1 3 DG N1 1 8 DC N3 2.900 2.600 3.200 3.013 2.952 3.136 . 0 0 "[ . 1]" 1
53 1 3 DG O6 1 8 DC H41 2.000 . 2.200 1.893 1.780 2.049 0.020 3 0 "[ . 1]" 1
54 1 3 DG O6 1 8 DC N4 2.900 2.600 3.200 2.861 2.714 3.048 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 243
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 98.448
_Distance_constraint_stats_list.Viol_max 0.451
_Distance_constraint_stats_list.Viol_rms 0.0237
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0684
_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 DG 0.000 0.000 . 0 "[ . 1]"
1 2 DG 0.000 0.000 . 0 "[ . 1]"
1 3 DG 0.715 0.267 2 0 "[ . 1]"
1 4 DT 0.329 0.102 2 0 "[ . 1]"
1 5 DC 0.376 0.102 2 0 "[ . 1]"
1 6 DA 0.323 0.066 4 0 "[ . 1]"
1 7 DC 0.267 0.066 4 0 "[ . 1]"
1 8 DC 1.797 0.214 6 0 "[ . 1]"
1 9 DG 2.103 0.214 6 0 "[ . 1]"
1 10 DG 0.555 0.148 10 0 "[ . 1]"
1 11 DG 1.580 0.280 9 0 "[ . 1]"
1 12 DC 0.222 0.144 3 0 "[ . 1]"
1 13 DA 0.557 0.144 6 0 "[ . 1]"
1 14 DG 0.175 0.078 4 0 "[ . 1]"
1 15 DT 0.161 0.061 6 0 "[ . 1]"
1 16 DG 0.347 0.265 8 0 "[ . 1]"
1 17 DG 0.767 0.265 8 0 "[ . 1]"
1 18 DG 0.999 0.451 7 0 "[ . 1]"
1 19 DC 0.122 0.076 10 0 "[ . 1]"
1 20 DG 0.372 0.231 7 0 "[ . 1]"
1 21 DG 0.972 0.139 7 0 "[ . 1]"
1 22 DG 1.267 0.251 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1' 1 1 DG H8 2.800 . 3.800 2.662 2.585 2.856 . 0 0 "[ . 1]" 2
2 1 1 DG H1' 1 1 DG H2' 2.800 . 3.800 2.941 2.720 3.027 . 0 0 "[ . 1]" 2
3 1 1 DG H1' 1 1 DG H2'' 2.800 . 3.800 2.238 2.183 2.363 . 0 0 "[ . 1]" 2
4 1 2 DG H1' 1 2 DG H8 2.800 . 3.800 2.701 2.592 2.802 . 0 0 "[ . 1]" 2
5 1 2 DG H1' 1 2 DG H2' 2.800 . 3.800 3.002 2.813 3.031 . 0 0 "[ . 1]" 2
6 1 2 DG H1' 1 2 DG H2'' 2.800 . 3.800 2.204 2.172 2.283 . 0 0 "[ . 1]" 2
7 1 3 DG H1' 1 3 DG H8 3.800 2.300 5.300 3.907 3.855 3.918 . 0 0 "[ . 1]" 2
8 1 3 DG H2' 1 3 DG H8 2.800 . 3.800 2.638 2.528 2.991 . 0 0 "[ . 1]" 2
9 1 3 DG H1' 1 3 DG H2'' 2.800 . 3.800 2.190 2.152 2.199 . 0 0 "[ . 1]" 2
10 1 3 DG H2'' 1 3 DG H8 2.800 . 3.800 3.856 3.750 4.067 0.267 2 0 "[ . 1]" 2
11 1 4 DT C7 1 4 DT H6 2.800 . 3.800 2.659 2.658 2.660 . 0 0 "[ . 1]" 2
12 1 4 DT H1' 1 4 DT H6 2.800 . 3.800 3.540 2.385 3.735 . 0 0 "[ . 1]" 2
13 1 4 DT H1' 1 5 DC H6 3.800 2.800 4.800 3.798 2.771 4.841 0.041 4 0 "[ . 1]" 2
14 1 4 DT H2' 1 4 DT H6 2.800 . 3.800 2.380 2.189 3.861 0.061 8 0 "[ . 1]" 2
15 1 4 DT H2' 1 5 DC H6 3.800 2.800 4.800 4.542 3.658 4.902 0.102 2 0 "[ . 1]" 2
16 1 4 DT H1' 1 4 DT H2'' 2.800 . 3.800 2.362 2.285 2.445 . 0 0 "[ . 1]" 2
17 1 4 DT H2'' 1 4 DT H6 2.800 . 3.800 3.506 2.303 3.740 . 0 0 "[ . 1]" 2
18 1 4 DT H2'' 1 5 DC H6 3.800 2.800 4.800 3.469 2.777 4.805 0.023 3 0 "[ . 1]" 2
19 1 5 DC H1' 1 5 DC H6 2.800 . 3.800 3.735 3.723 3.744 . 0 0 "[ . 1]" 2
20 1 5 DC H2' 1 5 DC H6 2.800 . 3.800 2.217 2.154 2.472 . 0 0 "[ . 1]" 2
21 1 5 DC H1' 1 5 DC H2'' 2.800 . 3.800 2.405 2.292 2.491 . 0 0 "[ . 1]" 2
22 1 6 DA H1' 1 6 DA H2' 2.800 . 3.800 2.997 2.744 3.028 . 0 0 "[ . 1]" 2
23 1 6 DA H2' 1 6 DA H8 2.800 . 3.800 2.472 2.207 3.111 . 0 0 "[ . 1]" 2
24 1 6 DA H1' 1 6 DA H2'' 2.800 . 3.800 2.400 2.321 2.495 . 0 0 "[ . 1]" 2
25 1 7 DC H1' 1 7 DC H2' 2.800 . 3.800 3.023 3.008 3.029 . 0 0 "[ . 1]" 2
26 1 7 DC H2' 1 7 DC H6 2.800 . 3.800 2.234 2.188 2.593 . 0 0 "[ . 1]" 2
27 1 7 DC H1' 1 7 DC H2'' 2.800 . 3.800 2.392 2.187 2.614 . 0 0 "[ . 1]" 2
28 1 7 DC H2'' 1 7 DC H6 2.800 . 3.800 3.613 2.780 3.857 0.057 4 0 "[ . 1]" 2
29 1 7 DC H5 1 7 DC H6 2.800 . 3.800 2.451 2.449 2.453 . 0 0 "[ . 1]" 2
30 1 8 DC H2' 1 8 DC H6 2.800 . 3.800 2.294 2.124 2.519 . 0 0 "[ . 1]" 2
31 1 8 DC H1' 1 8 DC H2'' 2.800 . 3.800 2.181 2.162 2.199 . 0 0 "[ . 1]" 2
32 1 8 DC H2'' 1 8 DC H6 2.800 . 3.800 3.633 3.414 3.838 0.038 8 0 "[ . 1]" 2
33 1 8 DC H5 1 8 DC H6 2.800 . 3.800 2.450 2.448 2.452 . 0 0 "[ . 1]" 2
34 1 9 DG H1' 1 9 DG H2' 2.800 . 3.800 3.011 2.990 3.027 . 0 0 "[ . 1]" 2
35 1 9 DG H2' 1 9 DG H8 2.800 . 3.800 2.431 2.232 2.650 . 0 0 "[ . 1]" 2
36 1 9 DG H1' 1 9 DG H2'' 2.800 . 3.800 2.245 2.171 2.340 . 0 0 "[ . 1]" 2
37 1 9 DG H2'' 1 9 DG H8 2.800 . 3.800 3.842 3.762 3.926 0.126 4 0 "[ . 1]" 2
38 1 9 DG H2'' 1 10 DG H8 2.800 . 3.800 2.350 2.183 2.462 . 0 0 "[ . 1]" 2
39 1 10 DG H1' 1 11 DG H8 3.800 2.800 4.800 4.095 3.588 4.701 . 0 0 "[ . 1]" 2
40 1 10 DG H1' 1 10 DG H2' 2.800 . 3.800 2.978 2.867 3.029 . 0 0 "[ . 1]" 2
41 1 10 DG H2' 1 10 DG H8 2.800 . 3.800 2.830 2.465 3.358 . 0 0 "[ . 1]" 2
42 1 10 DG H1' 1 10 DG H2'' 2.800 . 3.800 2.310 2.184 2.503 . 0 0 "[ . 1]" 2
43 1 10 DG H2'' 1 11 DG H8 3.800 2.800 4.800 2.754 2.652 2.836 0.148 10 0 "[ . 1]" 2
44 1 11 DG H2' 1 11 DG H8 2.800 . 3.800 2.646 2.382 2.994 . 0 0 "[ . 1]" 2
45 1 11 DG H2'' 1 11 DG H8 2.800 . 3.800 3.886 3.809 4.080 0.280 9 0 "[ . 1]" 2
46 1 12 DC H1' 1 12 DC H6 2.800 . 3.800 3.685 3.239 3.736 . 0 0 "[ . 1]" 2
47 1 12 DC H2' 1 12 DC H6 2.800 . 3.800 2.193 2.163 2.206 . 0 0 "[ . 1]" 2
48 1 12 DC H1' 1 12 DC H2'' 2.800 . 3.800 2.387 2.291 2.436 . 0 0 "[ . 1]" 2
49 1 12 DC H2'' 1 12 DC H6 2.800 . 3.800 3.569 2.516 3.752 . 0 0 "[ . 1]" 2
50 1 12 DC H5 1 12 DC H6 2.800 . 3.800 2.450 2.449 2.451 . 0 0 "[ . 1]" 2
51 1 13 DA H1' 1 13 DA H2' 2.800 . 3.800 2.961 2.709 3.032 . 0 0 "[ . 1]" 2
52 1 13 DA H1' 1 13 DA H2'' 2.800 . 3.800 2.355 2.215 2.498 . 0 0 "[ . 1]" 2
53 1 13 DA H8 1 14 DG H8 3.800 2.800 4.800 4.234 3.471 4.831 0.031 2 0 "[ . 1]" 2
54 1 14 DG H1' 1 14 DG H8 2.800 . 3.800 3.009 2.982 3.034 . 0 0 "[ . 1]" 2
55 1 14 DG H1' 1 14 DG H2'' 2.800 . 3.800 2.390 2.199 2.457 . 0 0 "[ . 1]" 2
56 1 14 DG H2'' 1 14 DG H8 4.500 3.500 5.500 4.896 4.591 4.992 . 0 0 "[ . 1]" 2
57 1 15 DT C7 1 15 DT H6 2.800 . 3.800 2.659 2.658 2.660 . 0 0 "[ . 1]" 2
58 1 15 DT H1' 1 15 DT H2' 2.800 . 3.800 3.025 3.019 3.028 . 0 0 "[ . 1]" 2
59 1 15 DT H2' 1 15 DT H6 2.800 . 3.800 2.540 2.194 3.821 0.021 6 0 "[ . 1]" 2
60 1 15 DT H1' 1 15 DT H2'' 2.800 . 3.800 2.308 2.199 2.403 . 0 0 "[ . 1]" 2
61 1 15 DT H2'' 1 15 DT H6 2.800 . 3.800 3.259 2.341 3.725 . 0 0 "[ . 1]" 2
62 1 16 DG H1' 1 16 DG H8 3.800 2.800 4.800 3.836 3.523 3.915 . 0 0 "[ . 1]" 2
63 1 16 DG H2' 1 16 DG H8 3.800 2.300 5.300 3.131 2.534 4.166 . 0 0 "[ . 1]" 2
64 1 16 DG H1' 1 17 DG H8 3.800 2.800 4.800 4.290 3.585 5.065 0.265 8 0 "[ . 1]" 2
65 1 17 DG H1' 1 17 DG H8 3.800 2.800 4.800 3.914 3.911 3.917 . 0 0 "[ . 1]" 2
66 1 17 DG H1' 1 18 DG H8 3.800 2.800 4.800 3.712 3.340 4.252 . 0 0 "[ . 1]" 2
67 1 17 DG H1' 1 17 DG H2' 2.800 . 3.800 3.025 3.022 3.028 . 0 0 "[ . 1]" 2
68 1 17 DG H1' 1 17 DG H2'' 2.800 . 3.800 2.218 2.184 2.337 . 0 0 "[ . 1]" 2
69 1 17 DG H2'' 1 17 DG H8 2.800 . 3.800 3.842 3.801 3.893 0.093 9 0 "[ . 1]" 2
70 1 18 DG H1' 1 18 DG H8 3.800 2.800 4.800 3.880 3.662 3.918 . 0 0 "[ . 1]" 2
71 1 18 DG H1' 1 18 DG H2' 2.800 . 3.800 3.026 3.004 3.043 . 0 0 "[ . 1]" 2
72 1 18 DG H2' 1 18 DG H8 2.800 . 4.300 2.686 2.301 3.647 . 0 0 "[ . 1]" 2
73 1 18 DG H2'' 1 18 DG H8 2.800 . 3.800 3.900 3.809 4.251 0.451 7 0 "[ . 1]" 2
74 1 19 DC H1' 1 19 DC H2' 2.800 . 3.800 3.026 3.022 3.028 . 0 0 "[ . 1]" 2
75 1 19 DC H2' 1 19 DC H6 2.800 . 3.800 2.360 2.190 3.846 0.046 10 0 "[ . 1]" 2
76 1 19 DC H1' 1 19 DC H2'' 2.800 . 3.800 2.321 2.184 2.419 . 0 0 "[ . 1]" 2
77 1 19 DC H2'' 1 19 DC H6 2.800 . 3.800 3.054 2.199 3.668 . 0 0 "[ . 1]" 2
78 1 19 DC H5 1 19 DC H6 2.800 . 3.800 2.450 2.449 2.451 . 0 0 "[ . 1]" 2
79 1 20 DG H1' 1 20 DG H2' 2.800 . 3.800 3.017 3.000 3.032 . 0 0 "[ . 1]" 2
80 1 20 DG H2' 1 20 DG H8 2.800 . 3.800 2.793 2.517 3.827 0.027 7 0 "[ . 1]" 2
81 1 20 DG H1' 1 20 DG H2'' 2.800 . 3.800 2.278 2.141 2.366 . 0 0 "[ . 1]" 2
82 1 20 DG H2'' 1 20 DG H8 2.800 . 4.300 4.097 3.730 4.531 0.231 7 0 "[ . 1]" 2
83 1 21 DG H1' 1 22 DG H8 3.800 2.800 4.800 3.572 3.008 4.687 . 0 0 "[ . 1]" 2
84 1 20 DG H1' 1 21 DG H8 3.800 2.800 4.800 3.973 3.712 4.377 . 0 0 "[ . 1]" 2
85 1 21 DG H1' 1 21 DG H2' 2.800 . 3.800 3.018 2.958 3.031 . 0 0 "[ . 1]" 2
86 1 21 DG H2' 1 21 DG H8 2.800 . 4.300 2.646 2.324 3.676 . 0 0 "[ . 1]" 2
87 1 21 DG H2' 1 22 DG H8 2.800 . 4.300 3.806 2.348 4.145 . 0 0 "[ . 1]" 2
88 1 21 DG H1' 1 21 DG H2'' 2.800 . 3.800 2.278 2.198 2.416 . 0 0 "[ . 1]" 2
89 1 21 DG H2'' 1 21 DG H8 3.800 2.800 4.800 3.947 3.650 4.796 . 0 0 "[ . 1]" 2
90 1 21 DG H2'' 1 22 DG H8 4.000 2.500 5.500 2.454 2.378 2.623 0.122 1 0 "[ . 1]" 2
91 1 22 DG H1' 1 22 DG H2' 2.800 . 3.800 3.027 3.015 3.034 . 0 0 "[ . 1]" 2
92 1 22 DG H2' 1 22 DG H8 2.800 . 4.300 2.500 2.208 2.956 . 0 0 "[ . 1]" 2
93 1 22 DG H1' 1 22 DG H2'' 2.800 . 3.800 2.320 2.157 2.410 . 0 0 "[ . 1]" 2
94 1 22 DG H2'' 1 22 DG H8 2.800 . 3.800 3.842 3.685 4.051 0.251 8 0 "[ . 1]" 2
95 1 1 DG H2'' 1 1 DG H8 4.000 2.500 5.500 3.862 3.745 3.999 . 0 0 "[ . 1]" 2
96 1 1 DG H2' 1 1 DG H8 4.000 2.500 5.500 4.053 2.887 4.548 . 0 0 "[ . 1]" 2
97 1 1 DG H3' 1 1 DG H8 5.000 3.500 6.500 5.670 4.585 6.111 . 0 0 "[ . 1]" 2
98 1 1 DG H4' 1 1 DG H8 5.000 3.500 6.500 5.422 5.225 5.840 . 0 0 "[ . 1]" 2
99 1 2 DG H2'' 1 2 DG H8 4.000 2.500 5.500 3.325 2.946 3.798 . 0 0 "[ . 1]" 2
100 1 2 DG H2' 1 2 DG H8 4.000 2.500 5.500 3.966 3.108 4.399 . 0 0 "[ . 1]" 2
101 1 2 DG H1' 1 2 DG H3' 4.000 2.500 5.500 3.830 3.792 3.875 . 0 0 "[ . 1]" 2
102 1 2 DG H3' 1 2 DG H8 5.000 3.500 6.500 5.751 4.958 6.031 . 0 0 "[ . 1]" 2
103 1 2 DG H1' 1 2 DG H4' 4.000 2.500 5.500 2.865 2.753 3.134 . 0 0 "[ . 1]" 2
104 1 2 DG H4' 1 2 DG H8 5.000 3.500 6.500 5.469 5.273 5.653 . 0 0 "[ . 1]" 2
105 1 2 DG H1' 1 2 DG H5'' 4.000 2.500 5.500 4.654 4.467 4.888 . 0 0 "[ . 1]" 2
106 1 3 DG H1' 1 3 DG H2' 3.800 2.300 5.300 3.029 3.026 3.034 . 0 0 "[ . 1]" 2
107 1 3 DG H1' 1 3 DG H3' 4.000 2.500 5.500 3.805 3.791 3.819 . 0 0 "[ . 1]" 2
108 1 3 DG H3' 1 3 DG H8 4.000 2.500 5.500 4.493 4.431 4.717 . 0 0 "[ . 1]" 2
109 1 3 DG H1' 1 3 DG H5' 4.000 2.500 5.500 4.646 4.453 4.947 . 0 0 "[ . 1]" 2
110 1 3 DG H5' 1 3 DG H8 4.000 2.500 5.500 4.389 4.249 4.775 . 0 0 "[ . 1]" 2
111 1 3 DG H1' 1 3 DG H5'' 4.000 2.500 5.500 4.856 4.402 4.937 . 0 0 "[ . 1]" 2
112 1 3 DG H5'' 1 3 DG H8 4.000 2.500 5.500 4.827 3.165 5.483 . 0 0 "[ . 1]" 2
113 1 4 DT H1' 1 4 DT H2' 4.000 2.500 5.500 3.022 3.013 3.027 . 0 0 "[ . 1]" 2
114 1 4 DT H1' 1 4 DT H5'' 4.000 2.500 5.500 4.660 4.463 4.925 . 0 0 "[ . 1]" 2
115 1 5 DC H1' 1 5 DC H2' 3.800 2.300 5.300 3.022 3.015 3.027 . 0 0 "[ . 1]" 2
116 1 5 DC H2'' 1 5 DC H6 4.000 2.500 5.500 3.724 3.671 3.825 . 0 0 "[ . 1]" 2
117 1 5 DC H4' 1 5 DC H6 . 4.500 5.500 4.663 4.493 4.745 0.007 6 0 "[ . 1]" 2
118 1 5 DC H4' 1 6 DA H8 4.000 2.500 5.500 4.509 2.970 5.381 . 0 0 "[ . 1]" 2
119 1 5 DC H5' 1 5 DC H6 4.000 2.500 5.500 4.348 3.152 5.018 . 0 0 "[ . 1]" 2
120 1 5 DC H1' 1 5 DC H5'' 4.000 2.500 5.500 4.732 4.446 4.901 . 0 0 "[ . 1]" 2
121 1 5 DC H5'' 1 6 DA H8 4.000 2.500 5.500 4.934 3.059 5.544 0.044 4 0 "[ . 1]" 2
122 1 6 DA H1' 1 6 DA H8 4.000 3.000 5.000 3.907 3.869 3.921 . 0 0 "[ . 1]" 2
123 1 6 DA H1' 1 7 DC H6 5.000 3.500 6.500 5.631 3.439 6.515 0.061 10 0 "[ . 1]" 2
124 1 6 DA H2'' 1 6 DA H8 4.000 2.500 5.500 3.877 3.609 4.391 . 0 0 "[ . 1]" 2
125 1 6 DA H1' 1 6 DA H3' 4.000 2.500 5.500 3.827 3.807 3.874 . 0 0 "[ . 1]" 2
126 1 6 DA H3' 1 7 DC H6 4.000 2.500 5.500 4.451 2.505 5.566 0.066 4 0 "[ . 1]" 2
127 1 6 DA H4' 1 6 DA H8 4.000 2.500 5.500 4.911 4.322 5.125 . 0 0 "[ . 1]" 2
128 1 6 DA H1' 1 6 DA H5' 4.000 2.500 5.500 4.627 4.266 4.928 . 0 0 "[ . 1]" 2
129 1 6 DA H5' 1 6 DA H8 4.000 2.500 5.500 4.311 2.531 5.264 . 0 0 "[ . 1]" 2
130 1 7 DC H1' 1 7 DC H6 4.000 2.500 5.500 3.681 3.225 3.736 . 0 0 "[ . 1]" 2
131 1 7 DC H3' 1 7 DC H6 4.000 2.500 5.500 4.032 3.638 4.440 . 0 0 "[ . 1]" 2
132 1 7 DC H1' 1 7 DC H4' 4.000 2.500 5.500 3.009 2.719 3.452 . 0 0 "[ . 1]" 2
133 1 7 DC H4' 1 7 DC H6 4.000 2.500 5.500 4.697 4.368 5.491 . 0 0 "[ . 1]" 2
134 1 7 DC H1' 1 7 DC H5' 4.000 2.500 5.500 4.674 4.280 5.008 . 0 0 "[ . 1]" 2
135 1 8 DC H1' 1 8 DC H6 4.000 2.500 5.500 3.732 3.717 3.749 . 0 0 "[ . 1]" 2
136 1 8 DC H3' 1 8 DC H6 4.000 2.500 5.500 3.923 3.344 4.132 . 0 0 "[ . 1]" 2
137 1 8 DC H3' 1 9 DG H8 5.000 3.500 6.500 4.456 3.897 4.718 . 0 0 "[ . 1]" 2
138 1 8 DC H4' 1 9 DG H8 5.000 3.500 6.500 5.641 5.105 5.841 . 0 0 "[ . 1]" 2
139 1 8 DC H5' 1 8 DC H6 4.000 2.500 5.500 3.734 3.186 4.395 . 0 0 "[ . 1]" 2
140 1 9 DG H1' 1 9 DG H8 4.000 2.500 5.500 3.909 3.898 3.918 . 0 0 "[ . 1]" 2
141 1 9 DG H1' 1 10 DG H8 3.800 2.800 4.800 3.505 2.911 4.164 . 0 0 "[ . 1]" 2
142 1 9 DG H1' 1 9 DG H3' 4.000 2.500 5.000 3.873 3.813 3.920 . 0 0 "[ . 1]" 2
143 1 9 DG H3' 1 9 DG H8 4.000 2.500 5.000 4.140 3.756 4.321 . 0 0 "[ . 1]" 2
144 1 9 DG H3' 1 10 DG H8 4.000 2.500 5.500 5.095 4.304 5.353 . 0 0 "[ . 1]" 2
145 1 9 DG H1' 1 9 DG H4' 4.000 2.500 5.500 3.025 2.617 3.514 . 0 0 "[ . 1]" 2
146 1 9 DG H5' 1 9 DG H8 4.000 2.500 5.500 4.444 3.860 5.459 . 0 0 "[ . 1]" 2
147 1 10 DG H1' 1 10 DG H8 3.800 2.800 4.800 3.898 3.866 3.922 . 0 0 "[ . 1]" 2
148 1 10 DG H1' 1 10 DG H3' 4.000 2.500 5.500 3.856 3.797 3.930 . 0 0 "[ . 1]" 2
149 1 10 DG H3' 1 11 DG H8 4.000 2.500 5.500 4.789 3.642 5.545 0.045 5 0 "[ . 1]" 2
150 1 10 DG H1' 1 10 DG H4' 4.000 2.500 5.500 2.965 2.683 3.096 . 0 0 "[ . 1]" 2
151 1 11 DG H1' 1 11 DG H8 3.800 2.800 4.800 3.896 3.850 3.914 . 0 0 "[ . 1]" 2
152 1 11 DG H1' 1 12 DC H6 4.000 2.500 5.500 4.188 3.012 5.509 0.009 6 0 "[ . 1]" 2
153 1 11 DG H1' 1 11 DG H2' 4.000 2.500 5.500 3.027 3.020 3.038 . 0 0 "[ . 1]" 2
154 1 11 DG H3' 1 11 DG H8 4.000 2.500 5.500 4.517 4.333 4.793 . 0 0 "[ . 1]" 2
155 1 11 DG H1' 1 11 DG H4' 4.000 2.500 5.500 3.219 2.967 3.416 . 0 0 "[ . 1]" 2
156 1 11 DG H4' 1 11 DG H8 4.000 2.500 5.500 4.741 4.457 4.896 . 0 0 "[ . 1]" 2
157 1 12 DC H1' 1 12 DC H2' 4.000 2.500 5.500 3.023 3.011 3.030 . 0 0 "[ . 1]" 2
158 1 12 DC H3' 1 12 DC H6 4.000 2.500 5.500 4.010 3.706 4.434 . 0 0 "[ . 1]" 2
159 1 12 DC H4' 1 12 DC H6 4.000 2.500 5.500 4.740 4.613 5.482 . 0 0 "[ . 1]" 2
160 1 12 DC H5' 1 12 DC H6 4.000 2.500 5.500 4.370 2.968 5.022 . 0 0 "[ . 1]" 2
161 1 12 DC H5'' 1 12 DC H6 4.000 2.500 5.500 4.558 3.154 5.554 0.054 6 0 "[ . 1]" 2
162 1 13 DA H2' 1 13 DA H8 4.000 2.500 5.500 3.267 2.356 4.561 0.144 6 0 "[ . 1]" 2
163 1 13 DA H2'' 1 13 DA H8 4.000 2.500 5.500 3.976 2.605 5.053 . 0 0 "[ . 1]" 2
164 1 13 DA H1' 1 13 DA H3' 4.000 2.500 5.500 3.860 3.783 4.016 . 0 0 "[ . 1]" 2
165 1 13 DA H3' 1 14 DG H8 4.000 2.500 5.500 4.543 3.297 5.578 0.078 4 0 "[ . 1]" 2
166 1 13 DA H1' 1 13 DA H4' 4.000 2.500 5.500 3.168 2.862 3.828 . 0 0 "[ . 1]" 2
167 1 14 DG H1' 1 14 DG H2' 3.800 2.300 5.300 3.033 3.030 3.035 . 0 0 "[ . 1]" 2
168 1 14 DG H1' 1 14 DG H3' 4.000 2.500 5.500 3.799 3.779 3.821 . 0 0 "[ . 1]" 2
169 1 14 DG H1' 1 14 DG H4' 4.000 2.500 5.500 2.521 2.496 2.551 0.004 6 0 "[ . 1]" 2
170 1 14 DG H1' 1 14 DG H5'' 4.000 2.500 5.500 4.490 4.477 4.499 . 0 0 "[ . 1]" 2
171 1 15 DT H1' 1 15 DT H6 4.000 2.500 5.500 3.373 2.439 3.735 0.061 6 0 "[ . 1]" 2
172 1 15 DT H1' 1 15 DT H3' 4.000 2.500 5.500 3.821 3.805 3.851 . 0 0 "[ . 1]" 2
173 1 15 DT H1' 1 15 DT H4' 4.000 2.500 5.500 2.938 2.788 3.171 . 0 0 "[ . 1]" 2
174 1 15 DT H4' 1 15 DT H6 4.000 2.500 5.500 4.923 4.574 5.417 . 0 0 "[ . 1]" 2
175 1 15 DT H1' 1 15 DT H5' 4.000 2.500 5.500 4.747 4.459 4.946 . 0 0 "[ . 1]" 2
176 1 16 DG H1' 1 16 DG H2' 2.800 . 4.300 2.991 2.933 3.023 . 0 0 "[ . 1]" 2
177 1 16 DG H1' 1 16 DG H2'' 2.800 . 4.300 2.301 2.200 2.351 . 0 0 "[ . 1]" 2
178 1 16 DG H2'' 1 16 DG H8 3.800 2.300 5.300 4.417 3.953 5.008 . 0 0 "[ . 1]" 2
179 1 16 DG H5' 1 16 DG H8 4.000 2.500 5.500 3.977 3.398 5.280 . 0 0 "[ . 1]" 2
180 1 16 DG H1' 1 16 DG H5'' 4.000 2.500 5.500 4.643 4.483 4.893 . 0 0 "[ . 1]" 2
181 1 16 DG H5'' 1 16 DG H8 4.000 2.500 5.500 4.591 3.809 5.201 . 0 0 "[ . 1]" 2
182 1 17 DG H1' 1 17 DG H3' 4.000 2.500 5.500 3.817 3.790 3.834 . 0 0 "[ . 1]" 2
183 1 17 DG H1' 1 17 DG H5' 4.000 2.500 5.500 4.590 4.405 4.664 . 0 0 "[ . 1]" 2
184 1 17 DG H5' 1 17 DG H8 4.000 2.500 5.500 4.390 4.109 4.621 . 0 0 "[ . 1]" 2
185 1 18 DG H1' 1 18 DG H3' 4.000 2.500 5.500 3.814 3.740 3.908 . 0 0 "[ . 1]" 2
186 1 18 DG H1' 1 18 DG H5' 4.000 2.500 5.500 4.590 4.138 4.947 . 0 0 "[ . 1]" 2
187 1 19 DC H1' 1 19 DC H6 4.000 2.500 5.500 3.410 2.424 3.738 0.076 10 0 "[ . 1]" 2
188 1 19 DC H1' 1 19 DC H3' 4.000 2.500 5.500 3.819 3.801 3.834 . 0 0 "[ . 1]" 2
189 1 19 DC H1' 1 19 DC H4' 4.000 2.500 5.500 2.971 2.811 3.251 . 0 0 "[ . 1]" 2
190 1 19 DC H4' 1 19 DC H6 4.000 2.500 5.500 4.997 4.532 5.423 . 0 0 "[ . 1]" 2
191 1 20 DG H1' 1 20 DG H8 4.000 2.500 5.500 3.876 3.609 3.920 . 0 0 "[ . 1]" 2
192 1 20 DG H3' 1 20 DG H8 4.000 2.500 5.500 4.340 4.075 5.153 . 0 0 "[ . 1]" 2
193 1 20 DG H1' 1 20 DG H4' 4.000 2.500 5.500 2.823 2.728 2.969 . 0 0 "[ . 1]" 2
194 1 20 DG H5' 1 20 DG H8 4.000 2.500 5.500 4.320 3.453 5.312 . 0 0 "[ . 1]" 2
195 1 21 DG H1' 1 21 DG H8 4.000 3.000 5.500 3.893 3.737 3.919 . 0 0 "[ . 1]" 2
196 1 21 DG H1' 1 21 DG H4' 4.000 3.000 5.000 3.094 2.861 3.521 0.139 7 0 "[ . 1]" 2
197 1 22 DG H1' 1 22 DG H8 4.000 3.000 5.000 3.902 3.864 3.918 . 0 0 "[ . 1]" 2
198 1 22 DG H3' 1 22 DG H8 4.000 2.500 5.500 4.479 4.255 4.748 . 0 0 "[ . 1]" 2
199 1 22 DG H1' 1 22 DG H4' 4.000 2.500 5.500 3.347 3.165 3.534 . 0 0 "[ . 1]" 2
200 1 22 DG H4' 1 22 DG H8 4.000 2.500 5.500 4.761 4.499 4.889 . 0 0 "[ . 1]" 2
201 1 22 DG H1' 1 22 DG H5' 4.000 2.500 5.500 4.681 4.151 4.970 . 0 0 "[ . 1]" 2
202 1 22 DG H5' 1 22 DG H8 4.000 2.500 5.500 3.934 2.412 4.396 0.088 9 0 "[ . 1]" 2
203 1 22 DG H5'' 1 22 DG H8 4.000 2.500 5.500 4.169 2.739 4.871 . 0 0 "[ . 1]" 2
204 1 6 DA H1' 1 6 DA H4' 4.000 2.500 5.500 3.077 2.862 3.466 . 0 0 "[ . 1]" 2
205 1 6 DA H5'' 1 6 DA H8 5.000 3.500 6.500 4.408 3.471 5.391 0.029 7 0 "[ . 1]" 2
206 1 7 DC H5' 1 7 DC H6 5.000 3.500 6.500 4.489 3.946 4.796 . 0 0 "[ . 1]" 2
207 1 7 DC H1' 1 7 DC H5'' 5.000 3.500 6.500 4.668 4.256 4.903 . 0 0 "[ . 1]" 2
208 1 8 DC H1' 1 9 DG H8 5.000 3.500 6.500 3.980 3.628 4.502 . 0 0 "[ . 1]" 2
209 1 8 DC H1' 1 8 DC H2' 2.800 . 4.300 3.020 2.987 3.034 . 0 0 "[ . 1]" 2
210 1 9 DG H4' 1 9 DG H8 4.000 2.500 5.500 4.866 4.726 5.002 . 0 0 "[ . 1]" 2
211 1 10 DG H4' 1 10 DG H8 4.000 2.500 5.500 4.795 4.544 5.004 . 0 0 "[ . 1]" 2
212 1 11 DG H1' 1 11 DG H3' 4.000 2.500 5.500 3.814 3.761 3.852 . 0 0 "[ . 1]" 2
213 1 11 DG H8 1 12 DC H3' 5.500 4.000 7.000 6.815 6.385 7.144 0.144 3 0 "[ . 1]" 2
214 1 13 DA H1' 1 13 DA H8 4.000 2.500 5.500 3.433 2.597 3.924 . 0 0 "[ . 1]" 2
215 1 16 DG H1' 1 16 DG H5' 4.000 2.500 5.500 4.553 4.460 4.970 . 0 0 "[ . 1]" 2
216 1 17 DG H4' 1 17 DG H8 4.000 2.500 5.500 4.890 4.821 4.948 . 0 0 "[ . 1]" 2
217 1 18 DG H1' 1 18 DG H4' 4.000 2.500 5.500 3.188 2.942 3.583 . 0 0 "[ . 1]" 2
218 1 18 DG H4' 1 18 DG H8 4.000 2.500 5.500 4.749 4.495 4.907 . 0 0 "[ . 1]" 2
219 1 20 DG H1' 1 20 DG H3' 5.000 3.500 6.500 3.847 3.780 3.900 . 0 0 "[ . 1]" 2
220 1 20 DG H4' 1 20 DG H8 4.000 2.500 5.500 4.850 4.527 4.953 . 0 0 "[ . 1]" 2
221 1 22 DG H1' 1 22 DG H5'' 4.000 2.500 5.500 4.804 4.255 4.990 . 0 0 "[ . 1]" 2
222 1 2 DG H1 1 16 DG H8 4.500 3.000 6.000 4.761 4.318 5.238 . 0 0 "[ . 1]" 2
223 1 2 DG H8 1 9 DG H1 4.500 3.000 6.000 5.198 4.879 5.527 . 0 0 "[ . 1]" 2
224 1 9 DG H8 1 20 DG H1 4.500 3.000 6.000 5.358 4.946 5.619 . 0 0 "[ . 1]" 2
225 1 1 DG H8 1 10 DG H1 4.500 3.000 6.000 4.152 3.788 4.609 . 0 0 "[ . 1]" 2
226 1 10 DG H8 1 21 DG H1 4.500 3.000 6.000 4.871 4.218 5.553 . 0 0 "[ . 1]" 2
227 1 11 DG H8 1 22 DG H1 4.500 3.000 6.000 4.412 4.049 4.841 . 0 0 "[ . 1]" 2
228 1 11 DG H1 1 14 DG H8 4.500 3.000 6.000 4.471 3.979 5.381 . 0 0 "[ . 1]" 2
229 1 14 DG H1 1 18 DG H8 4.500 3.000 6.000 4.541 4.048 5.381 . 0 0 "[ . 1]" 2
230 1 16 DG H1 1 20 DG H8 4.500 3.000 6.000 5.418 4.564 5.986 . 0 0 "[ . 1]" 2
231 1 17 DG H1 1 21 DG H8 4.500 3.000 6.000 4.508 4.155 5.397 . 0 0 "[ . 1]" 2
232 1 1 DG H1 1 17 DG H8 4.500 3.000 6.000 4.850 4.331 5.305 . 0 0 "[ . 1]" 2
233 1 18 DG H1 1 22 DG H8 4.500 3.000 6.000 4.847 4.228 5.560 . 0 0 "[ . 1]" 2
234 1 10 DG H1 1 11 DG H1 5.000 3.500 6.500 4.198 3.859 4.410 . 0 0 "[ . 1]" 2
235 1 9 DG H1 1 10 DG H1 5.000 3.500 6.500 4.392 3.835 4.893 . 0 0 "[ . 1]" 2
236 1 20 DG H1 1 21 DG H1 5.000 3.500 6.500 4.292 3.951 4.666 . 0 0 "[ . 1]" 2
237 1 16 DG H1 1 17 DG H1 5.500 4.000 7.000 4.163 3.959 4.657 0.041 1 0 "[ . 1]" 2
238 1 8 DC H5 1 9 DG H1 5.500 4.000 7.500 6.714 6.369 7.073 . 0 0 "[ . 1]" 2
239 1 8 DC H1' 1 9 DG H1 5.500 4.000 7.500 7.464 7.229 7.660 0.160 8 0 "[ . 1]" 2
240 1 8 DC H2'' 1 9 DG H1 5.500 4.000 7.500 6.945 6.680 7.639 0.139 1 0 "[ . 1]" 2
241 1 8 DC H6 1 9 DG H1 5.500 4.000 7.500 7.610 7.548 7.714 0.214 6 0 "[ . 1]" 2
242 1 3 DG H1 1 8 DC H42 3.200 2.400 4.000 3.601 3.399 4.028 0.028 10 0 "[ . 1]" 2
243 1 3 DG H1 1 8 DC H41 2.500 . 3.200 1.997 1.771 2.488 0.029 6 0 "[ . 1]" 2
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