NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
656014 |
7d5f   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7d5f
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 590
_Distance_constraint_stats_list.Viol_count 526
_Distance_constraint_stats_list.Viol_total 375.111
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0713
_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 2.876 0.124 5 0 "[ . 1]"
1 2 DG 2.035 0.107 10 0 "[ . 1]"
1 3 DT 1.510 0.106 5 0 "[ . 1]"
1 4 DG 2.234 0.107 6 0 "[ . 1]"
1 5 DT 0.382 0.118 7 0 "[ . 1]"
1 6 DG 2.543 0.175 4 0 "[ . 1]"
1 7 DT 2.381 0.175 4 0 "[ . 1]"
1 8 DG 1.875 0.110 7 0 "[ . 1]"
1 9 DT 0.193 0.102 10 0 "[ . 1]"
1 10 DG 1.935 0.108 9 0 "[ . 1]"
1 11 DT 1.780 0.106 6 0 "[ . 1]"
1 12 DG 1.723 0.107 8 0 "[ . 1]"
1 13 DT 0.211 0.072 9 0 "[ . 1]"
1 14 DG 1.432 0.106 4 0 "[ . 1]"
1 16 DG 1.279 0.162 5 0 "[ . 1]"
1 17 DT 1.924 0.187 5 0 "[ . 1]"
1 18 DG 2.332 0.118 10 0 "[ . 1]"
1 19 DG 1.905 0.118 10 0 "[ . 1]"
1 20 DT 1.800 0.106 10 0 "[ . 1]"
1 21 DG 2.845 0.163 6 0 "[ . 1]"
1 22 DG 3.075 0.163 6 0 "[ . 1]"
1 23 DT 1.998 0.106 3 0 "[ . 1]"
1 24 DG 2.614 0.121 4 0 "[ . 1]"
1 25 DG 2.199 0.121 4 0 "[ . 1]"
1 26 DT 1.479 0.106 3 0 "[ . 1]"
1 27 DG 1.370 0.105 2 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 H8 1 12 DG H1 4.800 3.400 6.200 5.282 4.577 5.988 . 0 0 "[ . 1]" 1
2 1 1 DG H8 1 14 DG H1 5.500 3.800 7.200 6.151 5.714 6.897 . 0 0 "[ . 1]" 1
3 1 1 DG H1 1 2 DG H1 4.000 2.800 5.200 4.229 3.944 4.679 . 0 0 "[ . 1]" 1
4 1 1 DG H1 1 2 DG H2'' 5.500 3.800 7.200 6.650 6.050 6.916 . 0 0 "[ . 1]" 1
5 1 2 DG H8 1 14 DG H1 4.800 3.400 6.200 5.297 4.840 5.977 . 0 0 "[ . 1]" 1
6 1 2 DG H8 1 25 DG H1 5.500 3.800 7.200 5.918 5.569 6.246 . 0 0 "[ . 1]" 1
7 1 2 DG H1 1 22 DG H1 4.000 2.800 5.200 5.081 4.592 5.263 0.063 8 0 "[ . 1]" 1
8 1 1 DG H1 1 3 DT H1' 5.500 3.800 7.200 6.112 5.536 6.779 . 0 0 "[ . 1]" 1
9 1 2 DG H1 1 3 DT H1' 5.500 3.800 7.200 7.038 6.378 7.243 0.043 4 0 "[ . 1]" 1
10 1 4 DG H1 1 6 DG H1 4.000 2.800 5.200 3.820 3.269 4.413 . 0 0 "[ . 1]" 1
11 1 1 DG H1 1 4 DG H8 4.800 3.400 6.200 5.443 5.169 5.730 . 0 0 "[ . 1]" 1
12 1 2 DG H1 1 4 DG H8 5.500 3.800 7.200 4.864 4.590 5.190 . 0 0 "[ . 1]" 1
13 1 4 DG H1 1 6 DG H2'' 5.500 3.800 7.200 6.251 5.805 6.691 . 0 0 "[ . 1]" 1
14 1 2 DG H1 1 6 DG H8 4.800 3.400 6.200 4.623 4.262 5.067 . 0 0 "[ . 1]" 1
15 1 6 DG H8 1 22 DG H1 5.500 3.800 7.200 6.229 5.687 6.865 . 0 0 "[ . 1]" 1
16 1 4 DG H1 1 7 DT H1' 5.500 3.800 7.200 5.509 4.575 6.198 . 0 0 "[ . 1]" 1
17 1 6 DG H1 1 7 DT H1' 5.500 3.800 7.200 7.257 7.207 7.375 0.175 4 0 "[ . 1]" 1
18 1 6 DG H1 1 19 DG H1 4.000 2.800 5.200 4.848 4.171 5.182 . 0 0 "[ . 1]" 1
19 1 8 DG H1 1 10 DG H1 4.000 2.800 5.200 3.825 3.379 4.156 . 0 0 "[ . 1]" 1
20 1 4 DG H1 1 8 DG H8 4.800 3.400 6.200 4.760 4.110 5.602 . 0 0 "[ . 1]" 1
21 1 6 DG H1 1 8 DG H8 5.500 3.800 7.200 5.268 4.711 5.963 . 0 0 "[ . 1]" 1
22 1 8 DG H1 1 10 DG H2'' 5.500 3.800 7.200 6.235 5.588 7.039 . 0 0 "[ . 1]" 1
23 1 6 DG H1 1 10 DG H8 4.800 3.400 6.200 5.298 4.844 5.783 . 0 0 "[ . 1]" 1
24 1 10 DG H8 1 19 DG H1 5.500 3.800 7.200 6.296 5.713 6.655 . 0 0 "[ . 1]" 1
25 1 10 DG H1 1 16 DG H1 4.000 2.800 5.200 4.431 3.946 4.938 . 0 0 "[ . 1]" 1
26 1 8 DG H1 1 11 DT H1' 5.500 3.800 7.200 5.431 4.494 6.253 . 0 0 "[ . 1]" 1
27 1 10 DG H1 1 11 DT H1' 5.500 3.800 7.200 7.212 7.020 7.306 0.106 6 0 "[ . 1]" 1
28 1 8 DG H1 1 12 DG H8 4.800 3.400 6.200 4.924 4.502 5.525 . 0 0 "[ . 1]" 1
29 1 10 DG H1 1 12 DG H8 5.500 3.800 7.200 5.441 4.831 5.933 . 0 0 "[ . 1]" 1
30 1 12 DG H1 1 14 DG H1 4.000 2.800 5.200 3.448 3.033 3.892 . 0 0 "[ . 1]" 1
31 1 12 DG H1 1 14 DG H2'' 5.500 3.800 7.200 5.220 4.738 5.550 . 0 0 "[ . 1]" 1
32 1 10 DG H1 1 14 DG H8 4.800 3.400 6.200 4.935 4.436 5.362 . 0 0 "[ . 1]" 1
33 1 14 DG H8 1 16 DG H1 5.500 3.800 7.200 6.102 5.421 6.591 . 0 0 "[ . 1]" 1
34 1 14 DG H1 1 25 DG H1 4.000 2.800 5.200 4.656 4.247 5.106 . 0 0 "[ . 1]" 1
35 1 16 DG H1 1 18 DG H8 5.500 3.800 7.200 5.182 4.763 5.553 . 0 0 "[ . 1]" 1
36 1 18 DG H8 1 27 DG H1 4.800 3.400 6.200 4.707 4.325 5.351 . 0 0 "[ . 1]" 1
37 1 18 DG H1 1 19 DG H1 4.000 2.800 5.200 3.506 2.976 3.835 . 0 0 "[ . 1]" 1
38 1 18 DG H1 1 19 DG H2'' 5.500 3.800 7.200 6.673 5.974 7.220 0.020 10 0 "[ . 1]" 1
39 1 10 DG H1 1 19 DG H8 5.500 3.800 7.200 5.256 4.554 6.013 . 0 0 "[ . 1]" 1
40 1 16 DG H1 1 19 DG H8 4.800 3.400 6.200 4.982 4.648 5.479 . 0 0 "[ . 1]" 1
41 1 18 DG H1 1 20 DT H1' 5.500 3.800 7.200 5.894 5.011 6.824 . 0 0 "[ . 1]" 1
42 1 19 DG H1 1 20 DT H1' 5.500 3.800 7.200 6.778 6.534 7.189 . 0 0 "[ . 1]" 1
43 1 18 DG H1 1 21 DG H8 4.800 3.400 6.200 5.214 4.216 5.549 . 0 0 "[ . 1]" 1
44 1 19 DG H1 1 21 DG H8 5.500 3.800 7.200 5.075 4.614 5.597 . 0 0 "[ . 1]" 1
45 1 21 DG H1 1 22 DG H1 4.000 2.800 5.200 3.572 2.912 3.985 . 0 0 "[ . 1]" 1
46 1 21 DG H1 1 22 DG H2'' 5.500 3.800 7.200 5.978 5.370 6.842 . 0 0 "[ . 1]" 1
47 1 6 DG H1 1 22 DG H8 5.500 3.800 7.200 6.041 5.338 6.765 . 0 0 "[ . 1]" 1
48 1 19 DG H1 1 22 DG H8 4.800 3.400 6.200 4.800 4.368 5.271 . 0 0 "[ . 1]" 1
49 1 21 DG H1 1 23 DT H1' 5.500 3.800 7.200 5.469 4.595 6.161 . 0 0 "[ . 1]" 1
50 1 22 DG H1 1 23 DT H1' 5.500 3.800 7.200 7.007 6.240 7.253 0.053 8 0 "[ . 1]" 1
51 1 21 DG H1 1 24 DG H8 4.800 3.400 6.200 4.737 4.067 5.787 . 0 0 "[ . 1]" 1
52 1 22 DG H1 1 24 DG H8 5.500 3.800 7.200 5.059 4.807 5.440 . 0 0 "[ . 1]" 1
53 1 24 DG H1 1 25 DG H1 4.000 2.800 5.200 3.940 3.267 4.353 . 0 0 "[ . 1]" 1
54 1 24 DG H1 1 25 DG H2'' 5.500 3.800 7.200 6.601 5.856 7.152 . 0 0 "[ . 1]" 1
55 1 2 DG H1 1 25 DG H8 5.500 3.800 7.200 5.680 5.250 6.116 . 0 0 "[ . 1]" 1
56 1 22 DG H1 1 25 DG H8 4.800 3.400 6.200 4.991 4.670 5.399 . 0 0 "[ . 1]" 1
57 1 24 DG H1 1 26 DT H1' 5.500 3.800 7.200 5.713 4.462 6.458 . 0 0 "[ . 1]" 1
58 1 25 DG H1 1 26 DT H1' 5.500 3.800 7.200 6.937 6.353 7.246 0.046 4 0 "[ . 1]" 1
59 1 16 DG H1 1 27 DG H1 4.000 2.800 5.200 3.564 3.200 3.917 . 0 0 "[ . 1]" 1
60 1 24 DG H1 1 27 DG H8 4.800 3.400 6.200 5.163 4.175 6.054 . 0 0 "[ . 1]" 1
61 1 25 DG H1 1 27 DG H8 5.500 3.800 7.200 5.102 4.695 5.682 . 0 0 "[ . 1]" 1
62 1 16 DG H2'' 1 27 DG H1 4.800 3.400 6.200 5.893 5.512 6.116 . 0 0 "[ . 1]" 1
63 1 14 DG H1 1 16 DG H8 5.500 3.800 7.200 6.233 5.337 7.150 . 0 0 "[ . 1]" 1
64 1 16 DG H8 1 25 DG H1 4.800 3.400 6.200 4.987 4.585 5.551 . 0 0 "[ . 1]" 1
65 1 16 DG H1 1 17 DT H1' 5.500 3.800 7.200 7.151 7.000 7.362 0.162 5 0 "[ . 1]" 1
66 1 17 DT H1' 1 27 DG H1 5.500 3.800 7.200 5.395 4.607 6.676 . 0 0 "[ . 1]" 1
67 1 1 DG H1' 1 1 DG H8 3.800 2.900 4.700 3.900 3.891 3.914 . 0 0 "[ . 1]" 1
68 1 1 DG H1' 1 1 DG H2' 2.700 . 3.500 3.024 3.019 3.026 . 0 0 "[ . 1]" 1
69 1 1 DG H2' 1 1 DG H2'' 2.700 . 3.500 1.796 1.795 1.797 0.105 1 0 "[ . 1]" 1
70 1 1 DG H2' 1 1 DG H3' 2.700 . 3.500 2.373 2.334 2.383 . 0 0 "[ . 1]" 1
71 1 1 DG H2' 1 1 DG H4' 3.800 2.900 4.700 3.806 3.786 3.870 . 0 0 "[ . 1]" 1
72 1 1 DG H2' 1 1 DG H5' 5.500 3.800 7.200 4.021 3.916 4.367 . 0 0 "[ . 1]" 1
73 1 1 DG H2' 1 1 DG H5'' 3.800 2.900 4.700 3.710 3.611 4.089 . 0 0 "[ . 1]" 1
74 1 1 DG H2' 1 1 DG H8 2.700 . 3.500 2.248 2.189 2.368 . 0 0 "[ . 1]" 1
75 1 1 DG H1' 1 1 DG H2'' 2.700 . 3.500 2.410 2.384 2.448 . 0 0 "[ . 1]" 1
76 1 1 DG H2'' 1 1 DG H3' 2.700 . 3.500 2.693 2.632 2.761 . 0 0 "[ . 1]" 1
77 1 1 DG H2'' 1 1 DG H4' 3.800 2.900 4.700 4.079 3.945 4.112 . 0 0 "[ . 1]" 1
78 1 1 DG H2'' 1 1 DG H5' 5.500 3.800 7.200 5.196 5.138 5.334 . 0 0 "[ . 1]" 1
79 1 1 DG H2'' 1 1 DG H5'' 5.500 3.800 7.200 4.754 4.690 4.914 . 0 0 "[ . 1]" 1
80 1 1 DG H2'' 1 1 DG H8 3.800 2.900 4.700 3.692 3.606 3.846 . 0 0 "[ . 1]" 1
81 1 1 DG H1' 1 1 DG H3' 3.800 2.900 4.700 3.824 3.811 3.854 . 0 0 "[ . 1]" 1
82 1 1 DG H3' 1 1 DG H8 5.500 3.800 7.200 4.365 4.286 4.405 . 0 0 "[ . 1]" 1
83 1 1 DG H1' 1 1 DG H4' 3.800 2.900 4.700 3.345 3.071 3.430 . 0 0 "[ . 1]" 1
84 1 1 DG H3' 1 1 DG H4' 2.700 . 3.500 2.753 2.729 2.840 . 0 0 "[ . 1]" 1
85 1 1 DG H4' 1 1 DG H8 5.500 3.800 7.200 4.941 4.797 5.027 . 0 0 "[ . 1]" 1
86 1 1 DG H1' 1 1 DG H5' 5.500 3.800 7.200 4.685 4.642 4.706 . 0 0 "[ . 1]" 1
87 1 1 DG H3' 1 1 DG H5' 3.800 2.900 4.700 3.672 3.639 3.686 . 0 0 "[ . 1]" 1
88 1 1 DG H4' 1 1 DG H5' 2.700 . 3.500 2.464 2.455 2.473 . 0 0 "[ . 1]" 1
89 1 1 DG H5' 1 1 DG H8 3.800 2.900 4.700 4.208 3.880 4.652 . 0 0 "[ . 1]" 1
90 1 1 DG H1' 1 1 DG H5'' 5.500 3.800 7.200 4.981 4.940 5.003 . 0 0 "[ . 1]" 1
91 1 1 DG H3' 1 1 DG H5'' 2.700 . 3.500 2.493 2.473 2.510 . 0 0 "[ . 1]" 1
92 1 1 DG H4' 1 1 DG H5'' 2.700 . 3.500 2.456 2.445 2.465 . 0 0 "[ . 1]" 1
93 1 1 DG H5' 1 1 DG H5'' 2.700 . 3.500 1.777 1.776 1.778 0.124 5 0 "[ . 1]" 1
94 1 1 DG H5'' 1 1 DG H8 5.500 3.800 7.200 4.673 4.424 5.109 . 0 0 "[ . 1]" 1
95 1 2 DG H1' 1 2 DG H8 3.800 2.900 4.700 3.875 3.854 3.882 . 0 0 "[ . 1]" 1
96 1 2 DG H1' 1 2 DG H2' 2.700 . 3.500 3.023 3.000 3.030 . 0 0 "[ . 1]" 1
97 1 2 DG H2' 1 2 DG H2'' 2.700 . 3.500 1.795 1.793 1.795 0.107 10 0 "[ . 1]" 1
98 1 2 DG H2' 1 2 DG H3' 2.700 . 3.500 2.340 2.312 2.373 . 0 0 "[ . 1]" 1
99 1 2 DG H2' 1 2 DG H4' 3.800 2.900 4.700 3.855 3.808 3.882 . 0 0 "[ . 1]" 1
100 1 2 DG H2' 1 2 DG H8 2.700 . 3.500 2.994 2.949 3.103 . 0 0 "[ . 1]" 1
101 1 2 DG H1' 1 2 DG H2'' 2.700 . 3.500 2.393 2.201 2.465 . 0 0 "[ . 1]" 1
102 1 2 DG H2'' 1 2 DG H3' 2.700 . 3.500 2.755 2.604 2.995 . 0 0 "[ . 1]" 1
103 1 2 DG H2'' 1 2 DG H4' 3.800 2.900 4.700 3.942 3.831 4.058 . 0 0 "[ . 1]" 1
104 1 2 DG H2'' 1 2 DG H8 3.800 2.900 4.700 4.346 4.220 4.436 . 0 0 "[ . 1]" 1
105 1 2 DG H1' 1 2 DG H3' 3.800 2.900 4.700 3.833 3.802 3.927 . 0 0 "[ . 1]" 1
106 1 2 DG H3' 1 2 DG H8 5.500 3.800 7.200 4.602 4.414 4.728 . 0 0 "[ . 1]" 1
107 1 2 DG H1' 1 2 DG H4' 3.800 2.900 4.700 3.090 2.857 3.488 0.043 9 0 "[ . 1]" 1
108 1 2 DG H3' 1 2 DG H4' 2.700 . 3.500 2.831 2.731 2.905 . 0 0 "[ . 1]" 1
109 1 2 DG H4' 1 2 DG H8 5.500 3.800 7.200 4.646 4.404 4.750 . 0 0 "[ . 1]" 1
110 1 3 DT C7 1 3 DT H6 2.700 . 4.000 2.659 2.658 2.659 . 0 0 "[ . 1]" 1
111 1 3 DT H1' 1 3 DT H6 3.800 2.900 4.700 3.732 3.727 3.735 . 0 0 "[ . 1]" 1
112 1 3 DT H1' 1 3 DT H2'' 2.700 . 3.500 2.400 2.385 2.418 . 0 0 "[ . 1]" 1
113 1 3 DT H2' 1 3 DT H2'' 2.700 . 3.500 1.795 1.794 1.797 0.106 5 0 "[ . 1]" 1
114 1 3 DT H2'' 1 3 DT H3' 2.700 . 3.500 2.752 2.719 2.798 . 0 0 "[ . 1]" 1
115 1 3 DT H2'' 1 3 DT H4' 3.800 2.900 4.700 3.968 3.865 4.000 . 0 0 "[ . 1]" 1
116 1 3 DT H2'' 1 3 DT H6 3.800 2.900 4.700 3.707 3.673 3.826 . 0 0 "[ . 1]" 1
117 1 3 DT H1' 1 3 DT H2' 2.700 . 3.500 3.026 3.022 3.028 . 0 0 "[ . 1]" 1
118 1 3 DT H2' 1 3 DT H3' 2.700 . 3.500 2.343 2.320 2.354 . 0 0 "[ . 1]" 1
119 1 3 DT H2' 1 3 DT H4' 3.800 2.900 4.700 3.856 3.842 3.881 . 0 0 "[ . 1]" 1
120 1 3 DT H2' 1 3 DT H6 2.700 . 3.500 2.219 2.191 2.337 . 0 0 "[ . 1]" 1
121 1 3 DT H1' 1 3 DT H3' 3.800 2.900 4.700 3.817 3.803 3.840 . 0 0 "[ . 1]" 1
122 1 3 DT H3' 1 3 DT H6 3.800 2.900 4.700 4.062 3.953 4.112 . 0 0 "[ . 1]" 1
123 1 3 DT H1' 1 3 DT H4' 3.800 2.900 4.700 3.075 2.928 3.135 . 0 0 "[ . 1]" 1
124 1 3 DT H3' 1 3 DT H4' 2.700 . 3.500 2.832 2.811 2.883 . 0 0 "[ . 1]" 1
125 1 3 DT H4' 1 3 DT H6 5.500 3.800 7.200 4.602 4.530 4.652 . 0 0 "[ . 1]" 1
126 1 4 DG H1' 1 4 DG H8 3.800 2.900 4.700 3.889 3.723 3.914 . 0 0 "[ . 1]" 1
127 1 4 DG H1' 1 4 DG H2'' 2.700 . 3.500 2.407 2.200 2.624 . 0 0 "[ . 1]" 1
128 1 4 DG H2'' 1 4 DG H3' 2.700 . 3.500 2.734 2.360 2.958 . 0 0 "[ . 1]" 1
129 1 4 DG H2'' 1 4 DG H4' 3.800 2.900 4.700 3.923 3.751 4.094 . 0 0 "[ . 1]" 1
130 1 4 DG H2'' 1 4 DG H8 3.800 2.900 4.700 4.164 3.930 4.489 . 0 0 "[ . 1]" 1
131 1 4 DG H1' 1 4 DG H2' 2.700 . 3.500 3.025 3.014 3.031 . 0 0 "[ . 1]" 1
132 1 4 DG H2' 1 4 DG H2'' 2.700 . 3.500 1.795 1.793 1.797 0.107 6 0 "[ . 1]" 1
133 1 4 DG H2' 1 4 DG H3' 2.700 . 3.500 2.340 2.303 2.368 . 0 0 "[ . 1]" 1
134 1 4 DG H2' 1 4 DG H4' 3.800 2.900 4.700 3.853 3.809 3.893 . 0 0 "[ . 1]" 1
135 1 4 DG H2' 1 4 DG H8 2.700 . 3.500 2.764 2.389 3.571 0.071 3 0 "[ . 1]" 1
136 1 4 DG H1' 1 4 DG H3' 3.800 2.900 4.700 3.827 3.778 3.881 . 0 0 "[ . 1]" 1
137 1 4 DG H3' 1 4 DG H8 5.500 3.800 7.200 4.495 4.243 5.064 . 0 0 "[ . 1]" 1
138 1 4 DG H1' 1 4 DG H4' 3.800 2.900 4.700 3.065 2.861 3.519 0.039 10 0 "[ . 1]" 1
139 1 4 DG H3' 1 4 DG H4' 2.700 . 3.500 2.838 2.717 2.914 . 0 0 "[ . 1]" 1
140 1 4 DG H4' 1 4 DG H8 5.500 3.800 7.200 4.768 4.513 4.881 . 0 0 "[ . 1]" 1
141 1 6 DG H1' 1 6 DG H8 3.800 2.900 4.700 3.897 3.885 3.913 . 0 0 "[ . 1]" 1
142 1 6 DG H1' 1 6 DG H2'' 2.700 . 3.500 2.363 2.199 2.506 . 0 0 "[ . 1]" 1
143 1 6 DG H2'' 1 6 DG H3' 2.700 . 3.500 2.781 2.647 2.997 . 0 0 "[ . 1]" 1
144 1 6 DG H2'' 1 6 DG H4' 3.800 2.900 4.700 3.954 3.762 4.074 . 0 0 "[ . 1]" 1
145 1 6 DG H2'' 1 6 DG H8 3.800 2.900 4.700 4.188 4.008 4.385 . 0 0 "[ . 1]" 1
146 1 6 DG H1' 1 6 DG H2' 2.700 . 3.500 3.023 2.999 3.029 . 0 0 "[ . 1]" 1
147 1 6 DG H2' 1 6 DG H2'' 2.700 . 3.500 1.795 1.793 1.796 0.107 5 0 "[ . 1]" 1
148 1 6 DG H2' 1 6 DG H3' 2.700 . 3.500 2.341 2.311 2.373 . 0 0 "[ . 1]" 1
149 1 6 DG H2' 1 6 DG H4' 3.800 2.900 4.700 3.854 3.808 3.884 . 0 0 "[ . 1]" 1
150 1 6 DG H2' 1 6 DG H8 2.700 . 3.500 2.812 2.516 2.925 . 0 0 "[ . 1]" 1
151 1 6 DG H1' 1 6 DG H3' 3.800 2.900 4.700 3.834 3.799 3.938 . 0 0 "[ . 1]" 1
152 1 6 DG H3' 1 6 DG H8 5.500 3.800 7.200 4.503 4.164 4.642 . 0 0 "[ . 1]" 1
153 1 6 DG H1' 1 6 DG H4' 3.800 2.900 4.700 3.108 2.852 3.524 0.048 5 0 "[ . 1]" 1
154 1 6 DG H3' 1 6 DG H4' 2.700 . 3.500 2.826 2.738 2.904 . 0 0 "[ . 1]" 1
155 1 6 DG H4' 1 6 DG H8 5.500 3.800 7.200 4.714 4.540 4.827 . 0 0 "[ . 1]" 1
156 1 7 DT C7 1 7 DT H6 2.700 . 4.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
157 1 7 DT H1' 1 7 DT H6 3.800 2.900 4.700 3.717 3.671 3.737 . 0 0 "[ . 1]" 1
158 1 7 DT H1' 1 7 DT H2'' 2.700 . 3.500 2.395 2.375 2.421 . 0 0 "[ . 1]" 1
159 1 7 DT H2'' 1 7 DT H3' 2.700 . 3.500 2.780 2.741 2.825 . 0 0 "[ . 1]" 1
160 1 7 DT H2'' 1 7 DT H4' 3.800 2.900 4.700 3.878 3.761 4.015 . 0 0 "[ . 1]" 1
161 1 7 DT H2'' 1 7 DT H6 3.800 2.900 4.700 3.879 3.690 4.198 . 0 0 "[ . 1]" 1
162 1 7 DT H1' 1 7 DT H2' 2.700 . 3.500 3.024 3.018 3.027 . 0 0 "[ . 1]" 1
163 1 7 DT H2' 1 7 DT H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 7 0 "[ . 1]" 1
164 1 7 DT H2' 1 7 DT H3' 2.700 . 3.500 2.324 2.305 2.353 . 0 0 "[ . 1]" 1
165 1 7 DT H2' 1 7 DT H4' 3.800 2.900 4.700 3.874 3.843 3.893 . 0 0 "[ . 1]" 1
166 1 7 DT H2' 1 7 DT H6 2.700 . 3.500 2.419 2.185 2.857 . 0 0 "[ . 1]" 1
167 1 7 DT H1' 1 7 DT H3' 3.800 2.900 4.700 3.832 3.815 3.847 . 0 0 "[ . 1]" 1
168 1 7 DT H3' 1 7 DT H6 3.800 2.900 4.700 4.068 3.872 4.410 . 0 0 "[ . 1]" 1
169 1 7 DT H1' 1 7 DT H4' 3.800 2.900 4.700 2.965 2.815 3.194 0.085 4 0 "[ . 1]" 1
170 1 7 DT H3' 1 7 DT H4' 2.700 . 3.500 2.871 2.803 2.921 . 0 0 "[ . 1]" 1
171 1 7 DT H4' 1 7 DT H6 5.500 3.800 7.200 4.541 4.262 4.697 . 0 0 "[ . 1]" 1
172 1 8 DG H1' 1 8 DG H8 3.800 2.900 4.700 3.885 3.736 3.917 . 0 0 "[ . 1]" 1
173 1 8 DG H1' 1 8 DG H2'' 2.700 . 3.500 2.404 2.214 2.539 . 0 0 "[ . 1]" 1
174 1 8 DG H2'' 1 8 DG H3' 2.700 . 3.500 2.706 2.500 2.971 . 0 0 "[ . 1]" 1
175 1 8 DG H2'' 1 8 DG H4' 3.800 2.900 4.700 4.018 3.892 4.083 . 0 0 "[ . 1]" 1
176 1 8 DG H2'' 1 8 DG H8 3.800 2.900 4.700 4.174 3.952 4.526 . 0 0 "[ . 1]" 1
177 1 8 DG H1' 1 8 DG H2' 2.700 . 3.500 3.023 3.014 3.027 . 0 0 "[ . 1]" 1
178 1 8 DG H2' 1 8 DG H2'' 2.700 . 3.500 1.796 1.795 1.797 0.105 5 0 "[ . 1]" 1
179 1 8 DG H2' 1 8 DG H3' 2.700 . 3.500 2.355 2.321 2.367 . 0 0 "[ . 1]" 1
180 1 8 DG H2' 1 8 DG H4' 3.800 2.900 4.700 3.838 3.823 3.878 . 0 0 "[ . 1]" 1
181 1 8 DG H2' 1 8 DG H8 2.700 . 3.500 2.764 2.475 3.545 0.045 4 0 "[ . 1]" 1
182 1 8 DG H1' 1 8 DG H3' 3.800 2.900 4.700 3.840 3.811 3.876 . 0 0 "[ . 1]" 1
183 1 8 DG H3' 1 8 DG H8 5.500 3.800 7.200 4.525 4.388 4.913 . 0 0 "[ . 1]" 1
184 1 8 DG H1' 1 8 DG H4' 3.800 2.900 4.700 3.261 2.929 3.443 . 0 0 "[ . 1]" 1
185 1 8 DG H3' 1 8 DG H4' 2.700 . 3.500 2.782 2.738 2.882 . 0 0 "[ . 1]" 1
186 1 8 DG H4' 1 8 DG H8 5.500 3.800 7.200 4.676 4.392 4.816 . 0 0 "[ . 1]" 1
187 1 10 DG H1' 1 10 DG H8 3.800 2.900 4.700 3.857 3.747 3.900 . 0 0 "[ . 1]" 1
188 1 10 DG H1' 1 10 DG H2' 2.700 . 3.500 3.025 3.021 3.030 . 0 0 "[ . 1]" 1
189 1 10 DG H2' 1 10 DG H2'' 2.700 . 3.500 1.795 1.792 1.797 0.108 9 0 "[ . 1]" 1
190 1 10 DG H2' 1 10 DG H3' 2.700 . 3.500 2.331 2.306 2.374 . 0 0 "[ . 1]" 1
191 1 10 DG H2' 1 10 DG H4' 3.800 2.900 4.700 3.864 3.805 3.889 . 0 0 "[ . 1]" 1
192 1 10 DG H2' 1 10 DG H8 2.700 . 3.500 3.055 2.826 3.533 0.033 9 0 "[ . 1]" 1
193 1 10 DG H1' 1 10 DG H2'' 2.700 . 3.500 2.372 2.195 2.555 . 0 0 "[ . 1]" 1
194 1 10 DG H2'' 1 10 DG H3' 2.700 . 3.500 2.791 2.468 3.001 . 0 0 "[ . 1]" 1
195 1 10 DG H2'' 1 10 DG H4' 3.800 2.900 4.700 3.896 3.796 4.012 . 0 0 "[ . 1]" 1
196 1 10 DG H2'' 1 10 DG H8 3.800 2.900 4.700 4.360 4.161 4.598 . 0 0 "[ . 1]" 1
197 1 10 DG H1' 1 10 DG H3' 3.800 2.900 4.700 3.825 3.806 3.849 . 0 0 "[ . 1]" 1
198 1 10 DG H3' 1 10 DG H8 5.500 3.800 7.200 4.633 4.372 4.933 . 0 0 "[ . 1]" 1
199 1 10 DG H1' 1 10 DG H4' 3.800 2.900 4.700 2.988 2.839 3.312 0.061 4 0 "[ . 1]" 1
200 1 10 DG H3' 1 10 DG H4' 2.700 . 3.500 2.861 2.754 2.917 . 0 0 "[ . 1]" 1
201 1 10 DG H4' 1 10 DG H8 5.500 3.800 7.200 4.696 4.535 4.818 . 0 0 "[ . 1]" 1
202 1 11 DT C7 1 11 DT H6 2.700 . 4.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
203 1 11 DT H1' 1 11 DT H6 3.800 2.900 4.700 3.729 3.714 3.735 . 0 0 "[ . 1]" 1
204 1 11 DT H1' 1 11 DT H2'' 2.700 . 3.500 2.399 2.385 2.421 . 0 0 "[ . 1]" 1
205 1 11 DT H2'' 1 11 DT H3' 2.700 . 3.500 2.767 2.741 2.793 . 0 0 "[ . 1]" 1
206 1 11 DT H2'' 1 11 DT H4' 3.800 2.900 4.700 3.935 3.895 3.986 . 0 0 "[ . 1]" 1
207 1 11 DT H2'' 1 11 DT H6 3.800 2.900 4.700 3.757 3.677 3.977 . 0 0 "[ . 1]" 1
208 1 11 DT H1' 1 11 DT H2' 2.700 . 3.500 3.027 3.022 3.030 . 0 0 "[ . 1]" 1
209 1 11 DT H2' 1 11 DT H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 2 0 "[ . 1]" 1
210 1 11 DT H2' 1 11 DT H3' 2.700 . 3.500 2.336 2.326 2.350 . 0 0 "[ . 1]" 1
211 1 11 DT H2' 1 11 DT H4' 3.800 2.900 4.700 3.863 3.847 3.876 . 0 0 "[ . 1]" 1
212 1 11 DT H2' 1 11 DT H6 2.700 . 3.500 2.283 2.190 2.549 . 0 0 "[ . 1]" 1
213 1 11 DT H1' 1 11 DT H3' 3.800 2.900 4.700 3.816 3.803 3.833 . 0 0 "[ . 1]" 1
214 1 11 DT H3' 1 11 DT H6 3.800 2.900 4.700 4.076 4.011 4.198 . 0 0 "[ . 1]" 1
215 1 11 DT H1' 1 11 DT H4' 3.800 2.900 4.700 3.007 2.944 3.084 . 0 0 "[ . 1]" 1
216 1 11 DT H3' 1 11 DT H4' 2.700 . 3.500 2.852 2.828 2.871 . 0 0 "[ . 1]" 1
217 1 11 DT H4' 1 11 DT H6 5.500 3.800 7.200 4.598 4.475 4.663 . 0 0 "[ . 1]" 1
218 1 12 DG H1' 1 12 DG H8 3.800 2.900 4.700 3.856 3.764 3.918 . 0 0 "[ . 1]" 1
219 1 12 DG H1' 1 12 DG H2'' 2.700 . 3.500 2.403 2.292 2.585 . 0 0 "[ . 1]" 1
220 1 12 DG H2'' 1 12 DG H3' 2.700 . 3.500 2.752 2.493 2.891 . 0 0 "[ . 1]" 1
221 1 12 DG H2'' 1 12 DG H4' 3.800 2.900 4.700 3.919 3.743 4.033 . 0 0 "[ . 1]" 1
222 1 12 DG H2'' 1 12 DG H8 3.800 2.900 4.700 4.324 3.869 4.723 0.023 1 0 "[ . 1]" 1
223 1 12 DG H1' 1 12 DG H2' 2.700 . 3.500 3.025 3.015 3.031 . 0 0 "[ . 1]" 1
224 1 12 DG H2' 1 12 DG H2'' 2.700 . 3.500 1.795 1.793 1.797 0.107 8 0 "[ . 1]" 1
225 1 12 DG H2' 1 12 DG H3' 2.700 . 3.500 2.334 2.300 2.361 . 0 0 "[ . 1]" 1
226 1 12 DG H2' 1 12 DG H4' 3.800 2.900 4.700 3.863 3.834 3.903 . 0 0 "[ . 1]" 1
227 1 12 DG H2' 1 12 DG H8 2.700 . 3.500 2.989 2.472 3.475 . 0 0 "[ . 1]" 1
228 1 12 DG H1' 1 12 DG H3' 3.800 2.900 4.700 3.825 3.796 3.872 . 0 0 "[ . 1]" 1
229 1 12 DG H3' 1 12 DG H8 5.500 3.800 7.200 4.618 4.326 4.941 . 0 0 "[ . 1]" 1
230 1 12 DG H1' 1 12 DG H4' 3.800 2.900 4.700 3.031 2.853 3.182 0.047 8 0 "[ . 1]" 1
231 1 12 DG H3' 1 12 DG H4' 2.700 . 3.500 2.849 2.801 2.918 . 0 0 "[ . 1]" 1
232 1 12 DG H4' 1 12 DG H8 5.500 3.800 7.200 4.714 4.557 4.919 . 0 0 "[ . 1]" 1
233 1 14 DG H1' 1 14 DG H8 3.800 2.900 4.700 3.849 3.732 3.917 . 0 0 "[ . 1]" 1
234 1 14 DG H1' 1 14 DG H2'' 2.700 . 3.500 2.397 2.198 2.627 . 0 0 "[ . 1]" 1
235 1 14 DG H2'' 1 14 DG H3' 2.700 . 3.500 2.755 2.305 2.969 . 0 0 "[ . 1]" 1
236 1 14 DG H2'' 1 14 DG H4' 3.800 2.900 4.700 3.908 3.773 4.006 . 0 0 "[ . 1]" 1
237 1 14 DG H2'' 1 14 DG H8 3.800 2.900 4.700 4.360 3.992 4.700 . 0 0 "[ . 1]" 1
238 1 14 DG H1' 1 14 DG H2' 2.700 . 3.500 3.027 3.020 3.029 . 0 0 "[ . 1]" 1
239 1 14 DG H2' 1 14 DG H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 4 0 "[ . 1]" 1
240 1 14 DG H2' 1 14 DG H3' 2.700 . 3.500 2.337 2.304 2.374 . 0 0 "[ . 1]" 1
241 1 14 DG H2' 1 14 DG H4' 3.800 2.900 4.700 3.856 3.798 3.890 . 0 0 "[ . 1]" 1
242 1 14 DG H2' 1 14 DG H8 2.700 . 3.500 3.061 2.582 3.554 0.054 9 0 "[ . 1]" 1
243 1 14 DG H1' 1 14 DG H3' 3.800 2.900 4.700 3.814 3.796 3.849 . 0 0 "[ . 1]" 1
244 1 14 DG H3' 1 14 DG H8 5.500 3.800 7.200 4.685 4.361 5.048 . 0 0 "[ . 1]" 1
245 1 14 DG H1' 1 14 DG H4' 3.800 2.900 4.700 2.993 2.852 3.332 0.048 6 0 "[ . 1]" 1
246 1 14 DG H3' 1 14 DG H4' 2.700 . 3.500 2.854 2.750 2.914 . 0 0 "[ . 1]" 1
247 1 14 DG H4' 1 14 DG H8 5.500 3.800 7.200 4.701 4.538 4.855 . 0 0 "[ . 1]" 1
248 1 16 DG H1' 1 16 DG H8 3.800 2.900 4.700 3.863 3.788 3.907 . 0 0 "[ . 1]" 1
249 1 16 DG H1' 1 16 DG H2' 2.700 . 3.500 3.027 3.024 3.030 . 0 0 "[ . 1]" 1
250 1 16 DG H2' 1 16 DG H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 7 0 "[ . 1]" 1
251 1 16 DG H2' 1 16 DG H3' 2.700 . 3.500 2.340 2.319 2.369 . 0 0 "[ . 1]" 1
252 1 16 DG H2' 1 16 DG H4' 3.800 2.900 4.700 3.855 3.820 3.877 . 0 0 "[ . 1]" 1
253 1 16 DG H2' 1 16 DG H8 2.700 . 3.500 3.025 2.743 3.378 . 0 0 "[ . 1]" 1
254 1 16 DG H1' 1 16 DG H2'' 2.700 . 3.500 2.387 2.251 2.442 . 0 0 "[ . 1]" 1
255 1 16 DG H2'' 1 16 DG H3' 2.700 . 3.500 2.781 2.688 2.919 . 0 0 "[ . 1]" 1
256 1 16 DG H2'' 1 16 DG H4' 3.800 2.900 4.700 3.941 3.844 4.056 . 0 0 "[ . 1]" 1
257 1 16 DG H2'' 1 16 DG H8 3.800 2.900 4.700 4.339 4.153 4.568 . 0 0 "[ . 1]" 1
258 1 16 DG H1' 1 16 DG H3' 3.800 2.900 4.700 3.813 3.799 3.828 . 0 0 "[ . 1]" 1
259 1 16 DG H3' 1 16 DG H8 5.500 3.800 7.200 4.669 4.416 4.930 . 0 0 "[ . 1]" 1
260 1 16 DG H1' 1 16 DG H4' 3.800 2.900 4.700 3.013 2.884 3.279 0.016 10 0 "[ . 1]" 1
261 1 16 DG H3' 1 16 DG H4' 2.700 . 3.500 2.848 2.769 2.892 . 0 0 "[ . 1]" 1
262 1 16 DG H4' 1 16 DG H8 5.500 3.800 7.200 4.701 4.574 4.847 . 0 0 "[ . 1]" 1
263 1 17 DT C7 1 17 DT H6 2.700 . 4.000 2.659 2.658 2.661 . 0 0 "[ . 1]" 1
264 1 17 DT H1' 1 17 DT H6 3.800 2.900 4.700 3.711 3.529 3.733 . 0 0 "[ . 1]" 1
265 1 17 DT H1' 1 17 DT H2'' 2.700 . 3.500 2.404 2.386 2.455 . 0 0 "[ . 1]" 1
266 1 17 DT H2' 1 17 DT H2'' 2.700 . 3.500 1.796 1.794 1.796 0.106 5 0 "[ . 1]" 1
267 1 17 DT H2'' 1 17 DT H3' 2.700 . 3.500 2.741 2.708 2.786 . 0 0 "[ . 1]" 1
268 1 17 DT H2'' 1 17 DT H4' 3.800 2.900 4.700 3.962 3.644 4.052 . 0 0 "[ . 1]" 1
269 1 17 DT H2'' 1 17 DT H6 3.800 2.900 4.700 3.809 3.693 4.621 . 0 0 "[ . 1]" 1
270 1 17 DT H1' 1 17 DT H2' 2.700 . 3.500 3.024 3.019 3.027 . 0 0 "[ . 1]" 1
271 1 17 DT H2' 1 17 DT H3' 2.700 . 3.500 2.343 2.296 2.363 . 0 0 "[ . 1]" 1
272 1 17 DT H2' 1 17 DT H4' 3.800 2.900 4.700 3.853 3.830 3.880 . 0 0 "[ . 1]" 1
273 1 17 DT H2' 1 17 DT H6 2.700 . 3.500 2.344 2.193 3.455 . 0 0 "[ . 1]" 1
274 1 17 DT H1' 1 17 DT H3' 3.800 2.900 4.700 3.826 3.816 3.845 . 0 0 "[ . 1]" 1
275 1 17 DT H3' 1 17 DT H6 3.800 2.900 4.700 4.107 3.969 4.530 . 0 0 "[ . 1]" 1
276 1 17 DT H1' 1 17 DT H4' 3.800 2.900 4.700 3.110 2.713 3.288 0.187 5 0 "[ . 1]" 1
277 1 17 DT H3' 1 17 DT H4' 2.700 . 3.500 2.825 2.770 2.949 . 0 0 "[ . 1]" 1
278 1 17 DT H4' 1 17 DT H6 5.500 3.800 7.200 4.531 4.288 4.660 . 0 0 "[ . 1]" 1
279 1 18 DG H1' 1 18 DG H8 3.800 2.900 4.700 3.904 3.824 3.915 . 0 0 "[ . 1]" 1
280 1 18 DG H1' 1 18 DG H2'' 2.700 . 3.500 2.421 2.406 2.440 . 0 0 "[ . 1]" 1
281 1 18 DG H2'' 1 18 DG H3' 2.700 . 3.500 2.677 2.656 2.704 . 0 0 "[ . 1]" 1
282 1 18 DG H2'' 1 18 DG H4' 3.800 2.900 4.700 4.087 4.065 4.113 . 0 0 "[ . 1]" 1
283 1 18 DG H2'' 1 18 DG H8 3.800 2.900 4.700 3.971 3.809 4.532 . 0 0 "[ . 1]" 1
284 1 18 DG H1' 1 18 DG H2' 2.700 . 3.500 3.025 3.019 3.028 . 0 0 "[ . 1]" 1
285 1 18 DG H2' 1 18 DG H2'' 2.700 . 3.500 1.796 1.795 1.797 0.105 5 0 "[ . 1]" 1
286 1 18 DG H2' 1 18 DG H3' 2.700 . 3.500 2.378 2.368 2.382 . 0 0 "[ . 1]" 1
287 1 18 DG H2' 1 18 DG H4' 3.800 2.900 4.700 3.801 3.787 3.819 . 0 0 "[ . 1]" 1
288 1 18 DG H2' 1 18 DG H8 2.700 . 3.500 2.516 2.345 3.255 . 0 0 "[ . 1]" 1
289 1 18 DG H1' 1 18 DG H3' 3.800 2.900 4.700 3.821 3.789 3.854 . 0 0 "[ . 1]" 1
290 1 18 DG H3' 1 18 DG H8 5.500 3.800 7.200 4.477 4.399 4.923 . 0 0 "[ . 1]" 1
291 1 18 DG H1' 1 18 DG H4' 3.800 2.900 4.700 3.359 3.293 3.510 . 0 0 "[ . 1]" 1
292 1 18 DG H3' 1 18 DG H4' 2.700 . 3.500 2.748 2.712 2.764 . 0 0 "[ . 1]" 1
293 1 18 DG H4' 1 18 DG H8 5.500 3.800 7.200 4.748 4.501 4.836 . 0 0 "[ . 1]" 1
294 1 19 DG H1' 1 19 DG H8 3.800 2.900 4.700 3.846 3.793 3.870 . 0 0 "[ . 1]" 1
295 1 19 DG H1' 1 19 DG H2' 2.700 . 3.500 3.025 3.015 3.032 . 0 0 "[ . 1]" 1
296 1 19 DG H2' 1 19 DG H2'' 2.700 . 3.500 1.795 1.794 1.797 0.106 7 0 "[ . 1]" 1
297 1 19 DG H2' 1 19 DG H3' 2.700 . 3.500 2.358 2.314 2.377 . 0 0 "[ . 1]" 1
298 1 19 DG H2' 1 19 DG H4' 3.800 2.900 4.700 3.831 3.799 3.881 . 0 0 "[ . 1]" 1
299 1 19 DG H2' 1 19 DG H8 2.700 . 3.500 3.146 3.019 3.361 . 0 0 "[ . 1]" 1
300 1 19 DG H1' 1 19 DG H2'' 2.700 . 3.500 2.380 2.248 2.486 . 0 0 "[ . 1]" 1
301 1 19 DG H2'' 1 19 DG H3' 2.700 . 3.500 2.757 2.555 2.949 . 0 0 "[ . 1]" 1
302 1 19 DG H2'' 1 19 DG H4' 3.800 2.900 4.700 4.020 3.860 4.118 . 0 0 "[ . 1]" 1
303 1 19 DG H2'' 1 19 DG H8 3.800 2.900 4.700 4.429 4.313 4.594 . 0 0 "[ . 1]" 1
304 1 19 DG H1' 1 19 DG H3' 3.800 2.900 4.700 3.821 3.779 3.880 . 0 0 "[ . 1]" 1
305 1 19 DG H3' 1 19 DG H8 5.500 3.800 7.200 4.761 4.577 4.980 . 0 0 "[ . 1]" 1
306 1 19 DG H1' 1 19 DG H4' 3.800 2.900 4.700 3.189 2.896 3.529 0.004 7 0 "[ . 1]" 1
307 1 19 DG H3' 1 19 DG H4' 2.700 . 3.500 2.795 2.709 2.893 . 0 0 "[ . 1]" 1
308 1 19 DG H4' 1 19 DG H8 5.500 3.800 7.200 4.555 4.304 4.694 . 0 0 "[ . 1]" 1
309 1 20 DT C7 1 20 DT H6 2.700 . 4.000 2.659 2.658 2.659 . 0 0 "[ . 1]" 1
310 1 20 DT H1' 1 20 DT H6 3.800 2.900 4.700 3.722 3.635 3.734 . 0 0 "[ . 1]" 1
311 1 20 DT H1' 1 20 DT H2'' 2.700 . 3.500 2.391 2.358 2.419 . 0 0 "[ . 1]" 1
312 1 20 DT H2' 1 20 DT H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 10 0 "[ . 1]" 1
313 1 20 DT H2'' 1 20 DT H3' 2.700 . 3.500 2.752 2.686 2.819 . 0 0 "[ . 1]" 1
314 1 20 DT H2'' 1 20 DT H4' 3.800 2.900 4.700 3.973 3.844 4.061 . 0 0 "[ . 1]" 1
315 1 20 DT H2'' 1 20 DT H6 3.800 2.900 4.700 3.788 3.682 4.314 . 0 0 "[ . 1]" 1
316 1 20 DT H1' 1 20 DT H2' 2.700 . 3.500 3.023 3.019 3.027 . 0 0 "[ . 1]" 1
317 1 20 DT H2' 1 20 DT H3' 2.700 . 3.500 2.340 2.310 2.366 . 0 0 "[ . 1]" 1
318 1 20 DT H2' 1 20 DT H4' 3.800 2.900 4.700 3.859 3.825 3.890 . 0 0 "[ . 1]" 1
319 1 20 DT H2' 1 20 DT H6 2.700 . 3.500 2.308 2.188 3.029 . 0 0 "[ . 1]" 1
320 1 20 DT H1' 1 20 DT H3' 3.800 2.900 4.700 3.834 3.820 3.854 . 0 0 "[ . 1]" 1
321 1 20 DT H3' 1 20 DT H6 3.800 2.900 4.700 4.069 3.921 4.480 . 0 0 "[ . 1]" 1
322 1 20 DT H1' 1 20 DT H4' 3.800 2.900 4.700 3.134 2.932 3.291 . 0 0 "[ . 1]" 1
323 1 20 DT H3' 1 20 DT H4' 2.700 . 3.500 2.822 2.768 2.890 . 0 0 "[ . 1]" 1
324 1 20 DT H4' 1 20 DT H6 5.500 3.800 7.200 4.531 4.273 4.642 . 0 0 "[ . 1]" 1
325 1 21 DG H1' 1 21 DG H8 3.800 2.900 4.700 3.899 3.865 3.916 . 0 0 "[ . 1]" 1
326 1 21 DG H1' 1 21 DG H2'' 2.700 . 3.500 2.447 2.399 2.597 . 0 0 "[ . 1]" 1
327 1 21 DG H2' 1 21 DG H2'' 2.700 . 3.500 1.796 1.794 1.798 0.106 6 0 "[ . 1]" 1
328 1 21 DG H2'' 1 21 DG H4' 3.800 2.900 4.700 4.026 3.748 4.134 . 0 0 "[ . 1]" 1
329 1 21 DG H2'' 1 21 DG H8 3.800 2.900 4.700 3.944 3.722 4.488 . 0 0 "[ . 1]" 1
330 1 21 DG H1' 1 21 DG H2' 2.700 . 3.500 3.023 3.014 3.029 . 0 0 "[ . 1]" 1
331 1 21 DG H2' 1 21 DG H3' 2.700 . 3.500 2.364 2.319 2.386 . 0 0 "[ . 1]" 1
332 1 21 DG H2' 1 21 DG H4' 3.800 2.900 4.700 3.815 3.766 3.875 . 0 0 "[ . 1]" 1
333 1 21 DG H2' 1 21 DG H8 2.700 . 3.500 2.459 2.200 3.022 . 0 0 "[ . 1]" 1
334 1 21 DG H2'' 1 21 DG H3' 2.700 . 3.500 2.645 2.463 2.702 . 0 0 "[ . 1]" 1
335 1 21 DG H1' 1 21 DG H3' 3.800 2.900 4.700 3.834 3.801 3.892 . 0 0 "[ . 1]" 1
336 1 21 DG H3' 1 21 DG H8 5.500 3.800 7.200 4.403 4.239 4.584 . 0 0 "[ . 1]" 1
337 1 21 DG H1' 1 21 DG H4' 3.800 2.900 4.700 3.308 2.913 3.649 . 0 0 "[ . 1]" 1
338 1 21 DG H3' 1 21 DG H4' 2.700 . 3.500 2.770 2.683 2.879 . 0 0 "[ . 1]" 1
339 1 21 DG H4' 1 21 DG H8 5.500 3.800 7.200 4.798 4.681 4.902 . 0 0 "[ . 1]" 1
340 1 22 DG H1' 1 22 DG H8 3.800 2.900 4.700 3.794 3.684 3.872 . 0 0 "[ . 1]" 1
341 1 22 DG H1' 1 22 DG H2' 2.700 . 3.500 3.028 3.020 3.032 . 0 0 "[ . 1]" 1
342 1 22 DG H2' 1 22 DG H2'' 2.700 . 3.500 1.795 1.793 1.797 0.107 8 0 "[ . 1]" 1
343 1 22 DG H2' 1 22 DG H3' 2.700 . 3.500 2.346 2.310 2.375 . 0 0 "[ . 1]" 1
344 1 22 DG H2' 1 22 DG H4' 3.800 2.900 4.700 3.843 3.807 3.888 . 0 0 "[ . 1]" 1
345 1 22 DG H2' 1 22 DG H8 2.700 . 3.500 3.323 3.005 3.663 0.163 7 0 "[ . 1]" 1
346 1 22 DG H1' 1 22 DG H2'' 2.700 . 3.500 2.393 2.174 2.573 . 0 0 "[ . 1]" 1
347 1 22 DG H2'' 1 22 DG H3' 2.700 . 3.500 2.753 2.515 3.025 . 0 0 "[ . 1]" 1
348 1 22 DG H2'' 1 22 DG H4' 3.800 2.900 4.700 3.945 3.780 4.084 . 0 0 "[ . 1]" 1
349 1 22 DG H2'' 1 22 DG H8 3.800 2.900 4.700 4.524 4.361 4.708 0.008 9 0 "[ . 1]" 1
350 1 22 DG H1' 1 22 DG H3' 3.800 2.900 4.700 3.806 3.770 3.841 . 0 0 "[ . 1]" 1
351 1 22 DG H3' 1 22 DG H8 5.500 3.800 7.200 4.876 4.610 5.213 . 0 0 "[ . 1]" 1
352 1 22 DG H1' 1 22 DG H4' 3.800 2.900 4.700 3.041 2.836 3.345 0.064 8 0 "[ . 1]" 1
353 1 22 DG H3' 1 22 DG H4' 2.700 . 3.500 2.836 2.752 2.904 . 0 0 "[ . 1]" 1
354 1 22 DG H4' 1 22 DG H8 5.500 3.800 7.200 4.596 4.482 4.681 . 0 0 "[ . 1]" 1
355 1 23 DT C7 1 23 DT H6 2.700 . 4.000 2.659 2.658 2.661 . 0 0 "[ . 1]" 1
356 1 23 DT H1' 1 23 DT H6 3.800 2.900 4.700 3.700 3.618 3.739 . 0 0 "[ . 1]" 1
357 1 23 DT H1' 1 23 DT H2'' 2.700 . 3.500 2.392 2.200 2.484 . 0 0 "[ . 1]" 1
358 1 23 DT H2' 1 23 DT H2'' 2.700 . 3.500 1.796 1.794 1.797 0.106 3 0 "[ . 1]" 1
359 1 23 DT H2'' 1 23 DT H3' 2.700 . 3.500 2.758 2.679 2.968 . 0 0 "[ . 1]" 1
360 1 23 DT H2'' 1 23 DT H4' 3.800 2.900 4.700 3.951 3.746 4.038 . 0 0 "[ . 1]" 1
361 1 23 DT H2'' 1 23 DT H6 3.800 2.900 4.700 3.931 3.615 4.359 . 0 0 "[ . 1]" 1
362 1 23 DT H1' 1 23 DT H2' 2.700 . 3.500 3.024 3.018 3.027 . 0 0 "[ . 1]" 1
363 1 23 DT H2' 1 23 DT H3' 2.700 . 3.500 2.340 2.300 2.358 . 0 0 "[ . 1]" 1
364 1 23 DT H2' 1 23 DT H4' 3.800 2.900 4.700 3.856 3.834 3.895 . 0 0 "[ . 1]" 1
365 1 23 DT H2' 1 23 DT H6 2.700 . 3.500 2.514 2.184 3.101 . 0 0 "[ . 1]" 1
366 1 23 DT H1' 1 23 DT H3' 3.800 2.900 4.700 3.822 3.807 3.851 . 0 0 "[ . 1]" 1
367 1 23 DT H3' 1 23 DT H6 3.800 2.900 4.700 4.189 3.928 4.587 . 0 0 "[ . 1]" 1
368 1 23 DT H1' 1 23 DT H4' 3.800 2.900 4.700 3.077 2.839 3.227 0.061 8 0 "[ . 1]" 1
369 1 23 DT H3' 1 23 DT H4' 2.700 . 3.500 2.834 2.787 2.908 . 0 0 "[ . 1]" 1
370 1 23 DT H4' 1 23 DT H6 5.500 3.800 7.200 4.472 4.211 4.706 . 0 0 "[ . 1]" 1
371 1 24 DG H1' 1 24 DG H8 3.800 2.900 4.700 3.912 3.907 3.916 . 0 0 "[ . 1]" 1
372 1 24 DG H2' 1 24 DG H2'' 2.700 . 3.500 1.796 1.795 1.798 0.105 8 0 "[ . 1]" 1
373 1 24 DG H1' 1 24 DG H2' 2.700 . 3.500 3.024 3.016 3.028 . 0 0 "[ . 1]" 1
374 1 24 DG H2' 1 24 DG H3' 2.700 . 3.500 2.374 2.328 2.387 . 0 0 "[ . 1]" 1
375 1 24 DG H2' 1 24 DG H4' 3.800 2.900 4.700 3.807 3.763 3.874 . 0 0 "[ . 1]" 1
376 1 24 DG H2' 1 24 DG H8 2.700 . 3.500 2.475 2.347 2.758 . 0 0 "[ . 1]" 1
377 1 24 DG H1' 1 24 DG H2'' 2.700 . 3.500 2.411 2.392 2.425 . 0 0 "[ . 1]" 1
378 1 24 DG H2'' 1 24 DG H3' 2.700 . 3.500 2.697 2.640 2.781 . 0 0 "[ . 1]" 1
379 1 24 DG H2'' 1 24 DG H4' 3.800 2.900 4.700 4.071 3.901 4.136 . 0 0 "[ . 1]" 1
380 1 24 DG H2'' 1 24 DG H8 3.800 2.900 4.700 3.935 3.782 4.166 . 0 0 "[ . 1]" 1
381 1 24 DG H1' 1 24 DG H3' 3.800 2.900 4.700 3.820 3.786 3.872 . 0 0 "[ . 1]" 1
382 1 24 DG H3' 1 24 DG H8 5.500 3.800 7.200 4.443 4.335 4.649 . 0 0 "[ . 1]" 1
383 1 24 DG H1' 1 24 DG H4' 3.800 2.900 4.700 3.319 2.974 3.611 . 0 0 "[ . 1]" 1
384 1 24 DG H3' 1 24 DG H4' 2.700 . 3.500 2.759 2.690 2.866 . 0 0 "[ . 1]" 1
385 1 24 DG H4' 1 24 DG H8 5.500 3.800 7.200 4.782 4.565 4.912 . 0 0 "[ . 1]" 1
386 1 25 DG H1' 1 25 DG H8 3.800 2.900 4.700 3.855 3.780 3.893 . 0 0 "[ . 1]" 1
387 1 25 DG H1' 1 25 DG H2' 2.700 . 3.500 3.019 2.997 3.031 . 0 0 "[ . 1]" 1
388 1 25 DG H2' 1 25 DG H2'' 2.700 . 3.500 1.794 1.792 1.796 0.108 9 0 "[ . 1]" 1
389 1 25 DG H2' 1 25 DG H3' 2.700 . 3.500 2.337 2.303 2.370 . 0 0 "[ . 1]" 1
390 1 25 DG H2' 1 25 DG H4' 3.800 2.900 4.700 3.857 3.809 3.889 . 0 0 "[ . 1]" 1
391 1 25 DG H2' 1 25 DG H8 2.700 . 3.500 3.104 2.903 3.424 . 0 0 "[ . 1]" 1
392 1 25 DG H1' 1 25 DG H2'' 2.700 . 3.500 2.436 2.192 2.625 . 0 0 "[ . 1]" 1
393 1 25 DG H2'' 1 25 DG H3' 2.700 . 3.500 2.681 2.321 3.005 . 0 0 "[ . 1]" 1
394 1 25 DG H2'' 1 25 DG H4' 3.800 2.900 4.700 3.910 3.808 4.029 . 0 0 "[ . 1]" 1
395 1 25 DG H2'' 1 25 DG H8 3.800 2.900 4.700 4.455 4.244 4.608 . 0 0 "[ . 1]" 1
396 1 25 DG H1' 1 25 DG H3' 3.800 2.900 4.700 3.852 3.792 3.945 . 0 0 "[ . 1]" 1
397 1 25 DG H3' 1 25 DG H8 5.500 3.800 7.200 4.627 4.381 4.859 . 0 0 "[ . 1]" 1
398 1 25 DG H1' 1 25 DG H4' 3.800 2.900 4.700 3.142 2.862 3.572 0.038 6 0 "[ . 1]" 1
399 1 25 DG H3' 1 25 DG H4' 2.700 . 3.500 2.822 2.715 2.911 . 0 0 "[ . 1]" 1
400 1 25 DG H4' 1 25 DG H8 5.500 3.800 7.200 4.571 4.308 4.734 . 0 0 "[ . 1]" 1
401 1 26 DT C7 1 26 DT H6 2.700 . 4.000 2.659 2.656 2.660 . 0 0 "[ . 1]" 1
402 1 26 DT H1' 1 26 DT H6 3.800 2.900 4.700 3.718 3.590 3.736 . 0 0 "[ . 1]" 1
403 1 26 DT H1' 1 26 DT H2'' 2.700 . 3.500 2.410 2.380 2.429 . 0 0 "[ . 1]" 1
404 1 26 DT H2' 1 26 DT H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 3 0 "[ . 1]" 1
405 1 26 DT H2'' 1 26 DT H3' 2.700 . 3.500 2.749 2.700 2.800 . 0 0 "[ . 1]" 1
406 1 26 DT H2'' 1 26 DT H4' 3.800 2.900 4.700 3.929 3.840 4.056 . 0 0 "[ . 1]" 1
407 1 26 DT H2'' 1 26 DT H6 3.800 2.900 4.700 3.794 3.682 4.424 . 0 0 "[ . 1]" 1
408 1 26 DT H1' 1 26 DT H2' 2.700 . 3.500 3.026 3.018 3.029 . 0 0 "[ . 1]" 1
409 1 26 DT H2' 1 26 DT H3' 2.700 . 3.500 2.336 2.309 2.367 . 0 0 "[ . 1]" 1
410 1 26 DT H2' 1 26 DT H4' 3.800 2.900 4.700 3.861 3.818 3.892 . 0 0 "[ . 1]" 1
411 1 26 DT H2' 1 26 DT H6 2.700 . 3.500 2.324 2.184 3.200 . 0 0 "[ . 1]" 1
412 1 26 DT H1' 1 26 DT H3' 3.800 2.900 4.700 3.820 3.801 3.847 . 0 0 "[ . 1]" 1
413 1 26 DT H3' 1 26 DT H6 3.800 2.900 4.700 4.090 3.914 4.457 . 0 0 "[ . 1]" 1
414 1 26 DT H1' 1 26 DT H4' 3.800 2.900 4.700 3.026 2.901 3.263 . 0 0 "[ . 1]" 1
415 1 26 DT H3' 1 26 DT H4' 2.700 . 3.500 2.848 2.771 2.889 . 0 0 "[ . 1]" 1
416 1 26 DT H4' 1 26 DT H6 5.500 3.800 7.200 4.573 4.252 4.692 . 0 0 "[ . 1]" 1
417 1 27 DG H1' 1 27 DG H8 3.800 2.900 4.700 3.901 3.829 3.918 . 0 0 "[ . 1]" 1
418 1 27 DG H1' 1 27 DG H2' 2.700 . 3.500 3.023 3.006 3.030 . 0 0 "[ . 1]" 1
419 1 27 DG H2' 1 27 DG H2'' 2.700 . 3.500 1.796 1.795 1.797 0.105 2 0 "[ . 1]" 1
420 1 27 DG H2' 1 27 DG H3' 2.700 . 3.500 2.360 2.357 2.362 . 0 0 "[ . 1]" 1
421 1 27 DG H2' 1 27 DG H4' 3.800 2.900 4.700 3.780 3.773 3.793 . 0 0 "[ . 1]" 1
422 1 27 DG H2' 1 27 DG H8 2.700 . 3.500 2.543 2.201 3.220 . 0 0 "[ . 1]" 1
423 1 27 DG H1' 1 27 DG H2'' 2.700 . 3.500 2.414 2.390 2.430 . 0 0 "[ . 1]" 1
424 1 27 DG H2'' 1 27 DG H3' 2.700 . 3.500 2.672 2.644 2.695 . 0 0 "[ . 1]" 1
425 1 27 DG H2'' 1 27 DG H4' 3.800 2.900 4.700 4.102 4.083 4.126 . 0 0 "[ . 1]" 1
426 1 27 DG H2'' 1 27 DG H8 3.800 2.900 4.700 3.999 3.664 4.513 . 0 0 "[ . 1]" 1
427 1 27 DG H1' 1 27 DG H3' 3.800 2.900 4.700 3.834 3.793 3.907 . 0 0 "[ . 1]" 1
428 1 27 DG H3' 1 27 DG H8 5.500 3.800 7.200 4.446 4.161 4.877 . 0 0 "[ . 1]" 1
429 1 27 DG H1' 1 27 DG H4' 3.800 2.900 4.700 3.439 3.294 3.640 . 0 0 "[ . 1]" 1
430 1 27 DG H3' 1 27 DG H4' 2.700 . 3.500 2.721 2.681 2.753 . 0 0 "[ . 1]" 1
431 1 27 DG H4' 1 27 DG H8 5.500 3.800 7.200 4.666 4.447 4.967 . 0 0 "[ . 1]" 1
432 1 1 DG H1' 1 2 DG H1' 5.500 3.800 7.200 5.218 4.884 5.535 . 0 0 "[ . 1]" 1
433 1 1 DG H1' 1 2 DG H8 3.800 2.900 4.700 2.852 2.808 2.886 0.092 1 0 "[ . 1]" 1
434 1 1 DG H1' 1 3 DT H6 5.500 3.800 7.200 4.893 4.514 5.319 . 0 0 "[ . 1]" 1
435 1 1 DG H4' 1 2 DG H8 3.800 2.900 4.700 3.176 2.865 3.721 0.035 6 0 "[ . 1]" 1
436 1 2 DG H1' 1 25 DG H1' 2.700 . 3.500 2.861 2.399 3.526 0.026 9 0 "[ . 1]" 1
437 1 1 DG H1' 1 2 DG H2' 2.700 . 3.500 2.546 2.200 2.957 . 0 0 "[ . 1]" 1
438 1 2 DG H2' 1 3 DT H6 3.800 2.900 4.700 3.552 3.148 4.053 . 0 0 "[ . 1]" 1
439 1 1 DG H1' 1 2 DG H2'' 3.800 2.900 4.700 4.203 3.774 4.570 . 0 0 "[ . 1]" 1
440 1 2 DG H2'' 1 3 DT H6 2.700 . 3.500 2.968 2.557 3.282 . 0 0 "[ . 1]" 1
441 1 1 DG H1' 1 2 DG H3' 5.500 3.800 7.200 4.115 3.784 4.701 0.016 5 0 "[ . 1]" 1
442 1 2 DG H3' 1 3 DT H6 3.800 2.900 4.700 3.849 3.515 4.298 . 0 0 "[ . 1]" 1
443 1 2 DG H3' 1 25 DG H1' 5.500 3.800 7.200 6.082 5.664 6.651 . 0 0 "[ . 1]" 1
444 1 2 DG H4' 1 25 DG H1' 3.800 2.900 4.700 4.033 3.172 4.557 . 0 0 "[ . 1]" 1
445 1 1 DG H8 1 2 DG H8 5.500 3.800 7.200 4.997 4.758 5.249 . 0 0 "[ . 1]" 1
446 1 1 DG H1' 1 3 DT C7 3.800 2.400 5.200 3.899 3.342 4.468 . 0 0 "[ . 1]" 1
447 1 1 DG H3' 1 3 DT C7 5.500 3.800 7.700 5.618 4.921 6.275 . 0 0 "[ . 1]" 1
448 1 2 DG H3' 1 3 DT C7 3.800 2.400 5.200 4.148 3.467 4.762 . 0 0 "[ . 1]" 1
449 1 2 DG H8 1 3 DT C7 5.500 3.800 7.200 6.297 5.570 6.904 . 0 0 "[ . 1]" 1
450 1 3 DT H1' 1 4 DG H8 3.800 2.900 4.700 2.864 2.830 2.884 0.070 10 0 "[ . 1]" 1
451 1 2 DG H1' 1 3 DT H4' 5.500 3.800 7.200 4.727 4.223 5.186 . 0 0 "[ . 1]" 1
452 1 3 DT H4' 1 4 DG H8 2.700 . 3.500 2.712 2.198 3.524 0.024 8 0 "[ . 1]" 1
453 1 4 DG H1' 1 6 DG H1' 5.500 3.800 7.200 5.679 5.113 6.129 . 0 0 "[ . 1]" 1
454 1 4 DG H1' 1 6 DG H8 3.800 2.900 4.700 3.249 2.849 3.870 0.051 1 0 "[ . 1]" 1
455 1 4 DG H1' 1 7 DT H6 5.500 3.800 7.200 4.778 3.778 5.397 0.022 8 0 "[ . 1]" 1
456 1 4 DG H4' 1 6 DG H8 5.500 3.800 7.200 4.159 3.733 5.347 0.067 5 0 "[ . 1]" 1
457 1 4 DG H4' 1 5 DT H4' 3.800 2.900 4.700 4.197 3.633 4.777 0.077 9 0 "[ . 1]" 1
458 1 5 DT H4' 1 6 DG H3' 3.800 2.900 4.700 3.811 2.782 4.749 0.118 7 0 "[ . 1]" 1
459 1 6 DG H1' 1 22 DG H1' 2.700 . 3.500 2.875 2.475 3.224 . 0 0 "[ . 1]" 1
460 1 4 DG H1' 1 6 DG H2'' 3.800 2.900 4.700 4.418 3.707 4.784 0.084 1 0 "[ . 1]" 1
461 1 6 DG H2'' 1 7 DT H6 2.700 . 3.500 3.244 2.302 3.521 0.021 6 0 "[ . 1]" 1
462 1 4 DG H1' 1 6 DG H2' 2.700 . 3.500 2.981 2.288 3.482 . 0 0 "[ . 1]" 1
463 1 6 DG H2' 1 7 DT H6 3.800 2.900 4.700 3.815 3.356 4.186 . 0 0 "[ . 1]" 1
464 1 4 DG H1' 1 6 DG H3' 5.500 3.800 7.200 4.653 3.860 5.480 . 0 0 "[ . 1]" 1
465 1 6 DG H3' 1 7 DT H6 3.800 2.900 4.700 4.323 3.729 4.701 0.001 6 0 "[ . 1]" 1
466 1 6 DG H3' 1 22 DG H1' 5.500 3.800 7.200 5.911 5.453 6.305 . 0 0 "[ . 1]" 1
467 1 6 DG H4' 1 22 DG H1' 3.800 2.900 4.700 3.829 3.109 4.427 . 0 0 "[ . 1]" 1
468 1 4 DG H8 1 6 DG H8 5.500 3.800 7.200 5.088 4.403 5.579 . 0 0 "[ . 1]" 1
469 1 4 DG H1' 1 7 DT C7 2.700 . 4.000 3.674 3.092 4.016 0.016 1 0 "[ . 1]" 1
470 1 4 DG H3' 1 7 DT C7 5.500 3.300 7.700 4.901 3.321 5.672 . 0 0 "[ . 1]" 1
471 1 6 DG H3' 1 7 DT C7 3.800 2.400 5.200 4.887 4.173 5.245 0.045 6 0 "[ . 1]" 1
472 1 6 DG H8 1 7 DT C7 5.500 3.800 7.200 6.314 5.554 6.994 . 0 0 "[ . 1]" 1
473 1 7 DT H1' 1 8 DG H8 3.800 2.900 4.700 2.868 2.790 3.053 0.110 7 0 "[ . 1]" 1
474 1 6 DG H1' 1 7 DT H4' 5.500 3.800 7.200 4.841 4.505 5.130 . 0 0 "[ . 1]" 1
475 1 7 DT H4' 1 8 DG H8 2.700 . 3.500 3.061 2.699 3.526 0.026 5 0 "[ . 1]" 1
476 1 8 DG H1' 1 10 DG H1' 5.500 3.800 7.200 5.600 5.019 5.980 . 0 0 "[ . 1]" 1
477 1 8 DG H1' 1 10 DG H8 3.800 2.900 4.700 3.405 2.896 3.850 0.004 4 0 "[ . 1]" 1
478 1 8 DG H1' 1 11 DT H6 5.500 3.800 7.200 4.842 4.330 5.276 . 0 0 "[ . 1]" 1
479 1 8 DG H4' 1 10 DG H8 5.500 3.800 7.200 4.215 3.783 5.432 0.017 1 0 "[ . 1]" 1
480 1 8 DG H4' 1 9 DT H4' 3.800 2.900 4.700 4.328 3.828 4.802 0.102 10 0 "[ . 1]" 1
481 1 9 DT H4' 1 10 DG H3' 3.800 2.900 4.700 3.885 2.872 4.756 0.056 6 0 "[ . 1]" 1
482 1 10 DG H1' 1 19 DG H1' 2.700 . 3.500 2.670 2.268 3.136 . 0 0 "[ . 1]" 1
483 1 8 DG H1' 1 10 DG H2' 2.700 . 3.500 2.966 2.479 3.511 0.011 1 0 "[ . 1]" 1
484 1 10 DG H2' 1 11 DT H6 3.800 2.900 4.700 3.666 3.253 4.279 . 0 0 "[ . 1]" 1
485 1 8 DG H1' 1 10 DG H2'' 3.800 2.900 4.700 4.460 3.804 4.729 0.029 1 0 "[ . 1]" 1
486 1 10 DG H2'' 1 11 DT H6 2.700 . 3.500 3.174 2.394 3.524 0.024 9 0 "[ . 1]" 1
487 1 8 DG H1' 1 10 DG H3' 5.500 3.800 7.200 4.569 3.743 5.412 0.057 9 0 "[ . 1]" 1
488 1 10 DG H3' 1 11 DT H6 3.800 2.900 4.700 3.960 2.936 4.558 . 0 0 "[ . 1]" 1
489 1 10 DG H3' 1 19 DG H1' 5.500 3.800 7.200 5.970 5.568 6.296 . 0 0 "[ . 1]" 1
490 1 10 DG H4' 1 19 DG H1' 3.800 2.900 4.700 4.029 3.386 4.742 0.042 10 0 "[ . 1]" 1
491 1 8 DG H8 1 10 DG H8 5.500 3.800 7.200 5.346 4.991 6.104 . 0 0 "[ . 1]" 1
492 1 8 DG H1' 1 11 DT C7 2.700 . 4.000 3.697 3.269 4.012 0.012 9 0 "[ . 1]" 1
493 1 8 DG H3' 1 11 DT C7 5.500 3.800 7.200 4.967 4.387 5.450 . 0 0 "[ . 1]" 1
494 1 10 DG H3' 1 11 DT C7 3.800 2.400 5.200 4.384 3.179 5.174 . 0 0 "[ . 1]" 1
495 1 10 DG H8 1 11 DT C7 5.500 3.300 7.700 6.424 5.580 7.209 . 0 0 "[ . 1]" 1
496 1 11 DT H1' 1 12 DG H8 3.800 2.900 4.700 2.900 2.830 3.129 0.070 6 0 "[ . 1]" 1
497 1 10 DG H1' 1 11 DT H4' 5.500 3.800 7.200 4.992 4.610 5.532 . 0 0 "[ . 1]" 1
498 1 11 DT H4' 1 12 DG H8 2.700 . 3.500 2.811 2.188 3.527 0.027 1 0 "[ . 1]" 1
499 1 12 DG H1' 1 14 DG H1' 5.500 3.800 7.200 5.444 5.158 5.699 . 0 0 "[ . 1]" 1
500 1 12 DG H1' 1 14 DG H8 3.800 2.900 4.700 3.280 2.863 3.846 0.037 7 0 "[ . 1]" 1
501 1 12 DG H4' 1 14 DG H8 5.500 3.800 7.200 4.724 3.749 5.695 0.051 4 0 "[ . 1]" 1
502 1 12 DG H4' 1 13 DT H4' 3.800 2.900 4.700 4.324 3.654 4.772 0.072 9 0 "[ . 1]" 1
503 1 13 DT H4' 1 14 DG H3' 3.800 2.900 4.700 4.009 2.850 4.709 0.050 9 0 "[ . 1]" 1
504 1 14 DG H1' 1 16 DG H1' 2.700 . 3.500 3.028 2.407 3.477 . 0 0 "[ . 1]" 1
505 1 12 DG H1' 1 14 DG H2'' 3.800 2.900 4.700 4.323 3.881 4.724 0.024 4 0 "[ . 1]" 1
506 1 12 DG H1' 1 14 DG H2' 2.700 . 3.500 2.703 2.304 3.049 . 0 0 "[ . 1]" 1
507 1 12 DG H1' 1 14 DG H3' 5.500 3.800 7.200 4.064 3.781 4.531 0.019 6 0 "[ . 1]" 1
508 1 14 DG H3' 1 16 DG H1' 5.500 3.800 7.200 6.017 5.343 6.661 . 0 0 "[ . 1]" 1
509 1 14 DG H4' 1 16 DG H1' 3.800 2.900 4.700 3.764 3.018 4.564 . 0 0 "[ . 1]" 1
510 1 12 DG H8 1 14 DG H8 5.500 3.800 7.200 4.915 4.633 5.097 . 0 0 "[ . 1]" 1
511 1 16 DG H2' 1 17 DT H6 3.800 2.900 4.700 3.645 3.477 4.067 . 0 0 "[ . 1]" 1
512 1 16 DG H2' 1 27 DG H1' 2.700 . 3.500 2.706 2.432 2.942 . 0 0 "[ . 1]" 1
513 1 16 DG H2'' 1 17 DT H6 2.700 . 3.500 2.924 2.454 3.324 . 0 0 "[ . 1]" 1
514 1 16 DG H2'' 1 27 DG H1' 3.800 2.900 4.700 4.274 3.937 4.571 . 0 0 "[ . 1]" 1
515 1 14 DG H1' 1 16 DG H3' 5.500 3.800 7.200 6.046 5.302 6.445 . 0 0 "[ . 1]" 1
516 1 16 DG H3' 1 17 DT H6 3.800 2.900 4.700 3.883 3.543 4.330 . 0 0 "[ . 1]" 1
517 1 16 DG H3' 1 27 DG H1' 5.500 3.800 7.200 4.341 3.909 4.721 . 0 0 "[ . 1]" 1
518 1 14 DG H1' 1 16 DG H4' 3.800 2.900 4.700 3.813 3.092 4.547 . 0 0 "[ . 1]" 1
519 1 16 DG H8 1 27 DG H8 5.500 3.800 7.200 4.950 4.446 5.173 . 0 0 "[ . 1]" 1
520 1 16 DG H3' 1 17 DT C7 3.800 2.900 4.700 4.125 3.806 4.452 . 0 0 "[ . 1]" 1
521 1 16 DG H8 1 17 DT C7 5.500 3.300 7.700 6.485 6.066 7.268 . 0 0 "[ . 1]" 1
522 1 17 DT C7 1 27 DG H1' 3.800 2.400 5.200 3.932 3.462 4.372 . 0 0 "[ . 1]" 1
523 1 17 DT C7 1 27 DG H3' 5.500 3.800 7.700 5.661 4.486 6.654 . 0 0 "[ . 1]" 1
524 1 17 DT H1' 1 18 DG H8 3.800 2.900 4.700 2.847 2.819 2.871 0.081 1 0 "[ . 1]" 1
525 1 16 DG H1' 1 17 DT H4' 5.500 3.800 7.200 4.782 4.554 5.233 . 0 0 "[ . 1]" 1
526 1 17 DT H4' 1 18 DG H8 2.700 . 3.500 2.519 2.190 3.320 . 0 0 "[ . 1]" 1
527 1 18 DG H1' 1 19 DG H1' 5.500 3.800 7.200 4.913 4.363 5.414 . 0 0 "[ . 1]" 1
528 1 18 DG H1' 1 19 DG H8 3.800 2.900 4.700 2.886 2.782 3.227 0.118 10 0 "[ . 1]" 1
529 1 18 DG H1' 1 20 DT H6 5.500 3.800 7.200 4.934 4.606 5.219 . 0 0 "[ . 1]" 1
530 1 18 DG H4' 1 19 DG H8 3.800 2.900 4.700 3.099 2.827 3.649 0.073 5 0 "[ . 1]" 1
531 1 18 DG H1' 1 19 DG H2' 2.700 . 3.500 2.398 2.198 2.970 . 0 0 "[ . 1]" 1
532 1 19 DG H2' 1 20 DT H6 3.800 2.900 4.700 3.637 3.419 3.971 . 0 0 "[ . 1]" 1
533 1 18 DG H1' 1 19 DG H2'' 3.800 2.900 4.700 3.932 3.491 4.527 . 0 0 "[ . 1]" 1
534 1 19 DG H2'' 1 20 DT H6 2.700 . 3.500 2.949 2.597 3.514 0.014 4 0 "[ . 1]" 1
535 1 10 DG H1' 1 19 DG H3' 5.500 3.800 7.200 5.519 5.178 5.982 . 0 0 "[ . 1]" 1
536 1 18 DG H1' 1 19 DG H3' 5.500 3.800 7.200 4.293 3.808 4.887 . 0 0 "[ . 1]" 1
537 1 19 DG H3' 1 20 DT H6 3.800 2.900 4.700 3.875 3.235 4.257 . 0 0 "[ . 1]" 1
538 1 10 DG H1' 1 19 DG H4' 3.800 2.900 4.700 3.501 3.161 3.968 . 0 0 "[ . 1]" 1
539 1 18 DG H8 1 19 DG H8 5.500 3.800 7.200 4.847 4.610 4.998 . 0 0 "[ . 1]" 1
540 1 18 DG H1' 1 20 DT C7 3.800 2.400 5.200 4.291 3.959 4.989 . 0 0 "[ . 1]" 1
541 1 18 DG H3' 1 20 DT C7 5.500 3.800 7.700 5.321 3.773 5.991 0.027 10 0 "[ . 1]" 1
542 1 19 DG H3' 1 20 DT C7 3.800 2.400 5.200 4.171 3.278 4.968 . 0 0 "[ . 1]" 1
543 1 19 DG H8 1 20 DT C7 5.500 3.800 7.200 6.689 6.243 7.240 0.040 10 0 "[ . 1]" 1
544 1 20 DT H1' 1 21 DG H8 3.800 2.900 4.700 2.840 2.814 2.883 0.086 9 0 "[ . 1]" 1
545 1 19 DG H1' 1 20 DT H4' 5.500 3.800 7.200 4.675 4.229 5.311 . 0 0 "[ . 1]" 1
546 1 20 DT H4' 1 21 DG H8 2.700 . 3.500 3.052 2.459 3.531 0.031 5 0 "[ . 1]" 1
547 1 21 DG H1' 1 22 DG H1' 5.500 3.800 7.200 5.041 4.767 5.328 . 0 0 "[ . 1]" 1
548 1 21 DG H1' 1 22 DG H8 3.800 2.900 4.700 2.840 2.781 2.890 0.119 6 0 "[ . 1]" 1
549 1 21 DG H1' 1 23 DT H6 5.500 3.800 7.200 5.186 4.531 5.569 . 0 0 "[ . 1]" 1
550 1 21 DG H4' 1 22 DG H8 3.800 2.900 4.700 3.339 2.872 4.054 0.028 5 0 "[ . 1]" 1
551 1 21 DG H1' 1 22 DG H2' 2.700 . 3.500 2.626 2.352 3.038 . 0 0 "[ . 1]" 1
552 1 22 DG H2' 1 23 DT H6 3.800 2.900 4.700 3.555 3.169 3.925 . 0 0 "[ . 1]" 1
553 1 21 DG H1' 1 22 DG H2'' 3.800 2.900 4.700 4.326 3.994 4.776 0.076 9 0 "[ . 1]" 1
554 1 22 DG H2'' 1 23 DT H6 2.700 . 3.500 3.232 2.733 3.524 0.024 9 0 "[ . 1]" 1
555 1 6 DG H1' 1 22 DG H3' 5.500 3.800 7.200 6.075 5.611 6.474 . 0 0 "[ . 1]" 1
556 1 21 DG H1' 1 22 DG H3' 5.500 3.800 7.200 4.119 3.637 4.735 0.163 6 0 "[ . 1]" 1
557 1 22 DG H3' 1 23 DT H6 3.800 2.900 4.700 3.597 3.006 4.126 . 0 0 "[ . 1]" 1
558 1 6 DG H1' 1 22 DG H4' 3.800 2.900 13.700 4.176 3.539 5.034 . 0 0 "[ . 1]" 1
559 1 21 DG H8 1 22 DG H8 5.500 3.800 7.200 4.627 4.267 4.932 . 0 0 "[ . 1]" 1
560 1 21 DG H1' 1 23 DT C7 3.800 2.400 5.200 4.375 3.643 5.213 0.013 10 0 "[ . 1]" 1
561 1 21 DG H3' 1 23 DT C7 5.500 3.800 7.700 6.081 5.234 6.924 . 0 0 "[ . 1]" 1
562 1 22 DG H3' 1 23 DT C7 3.800 2.400 5.200 3.987 3.466 4.753 . 0 0 "[ . 1]" 1
563 1 22 DG H8 1 23 DT C7 5.500 3.300 7.700 6.781 6.118 7.559 . 0 0 "[ . 1]" 1
564 1 23 DT H1' 1 24 DG H8 3.800 2.900 4.700 2.845 2.816 2.893 0.084 1 0 "[ . 1]" 1
565 1 22 DG H1' 1 23 DT H4' 5.500 3.800 7.200 5.091 4.450 5.949 . 0 0 "[ . 1]" 1
566 1 23 DT H4' 1 24 DG H8 2.700 . 3.500 2.878 2.199 3.560 0.060 10 0 "[ . 1]" 1
567 1 24 DG H1' 1 25 DG H1' 5.500 3.800 7.200 5.010 4.767 5.377 . 0 0 "[ . 1]" 1
568 1 24 DG H1' 1 25 DG H8 3.800 2.900 4.700 2.832 2.779 2.891 0.121 4 0 "[ . 1]" 1
569 1 24 DG H1' 1 26 DT H6 5.500 3.800 7.200 4.819 4.553 5.211 . 0 0 "[ . 1]" 1
570 1 24 DG H4' 1 25 DG H8 3.800 2.900 4.700 3.165 2.859 3.680 0.041 3 0 "[ . 1]" 1
571 1 24 DG H1' 1 25 DG H2' 2.700 . 3.500 2.421 2.184 2.964 . 0 0 "[ . 1]" 1
572 1 25 DG H2' 1 26 DT H6 3.800 2.900 4.700 3.515 3.117 3.977 . 0 0 "[ . 1]" 1
573 1 24 DG H1' 1 25 DG H2'' 3.800 2.900 4.700 4.066 3.735 4.526 . 0 0 "[ . 1]" 1
574 1 25 DG H2'' 1 26 DT H6 2.700 . 3.500 2.952 2.191 3.509 0.009 9 0 "[ . 1]" 1
575 1 2 DG H1' 1 25 DG H3' 5.500 3.800 7.200 6.017 5.551 6.880 . 0 0 "[ . 1]" 1
576 1 24 DG H1' 1 25 DG H3' 5.500 3.800 7.200 4.083 3.730 4.920 0.070 1 0 "[ . 1]" 1
577 1 25 DG H3' 1 26 DT H6 3.800 2.900 4.700 3.844 3.218 4.323 . 0 0 "[ . 1]" 1
578 1 2 DG H1' 1 25 DG H4' 3.800 2.900 4.700 4.010 3.279 4.526 . 0 0 "[ . 1]" 1
579 1 24 DG H8 1 25 DG H8 5.500 3.800 7.200 4.943 4.573 5.414 . 0 0 "[ . 1]" 1
580 1 24 DG H1' 1 26 DT C7 3.800 2.400 5.200 3.983 3.556 4.259 . 0 0 "[ . 1]" 1
581 1 24 DG H3' 1 26 DT C7 5.500 3.800 7.700 5.301 3.803 5.877 . 0 0 "[ . 1]" 1
582 1 25 DG H3' 1 26 DT C7 3.800 2.900 4.700 4.178 3.157 4.756 0.056 7 0 "[ . 1]" 1
583 1 25 DG H8 1 26 DT C7 5.500 3.300 7.700 6.408 5.914 6.886 . 0 0 "[ . 1]" 1
584 1 26 DT H1' 1 27 DG H8 3.800 2.900 4.700 2.893 2.819 2.958 0.081 3 0 "[ . 1]" 1
585 1 25 DG H1' 1 26 DT H4' 5.500 3.800 7.200 4.816 4.007 5.478 . 0 0 "[ . 1]" 1
586 1 26 DT H4' 1 27 DG H8 2.700 . 3.500 3.021 2.194 3.588 0.088 7 0 "[ . 1]" 1
587 1 16 DG H1' 1 27 DG H1' 5.500 3.800 7.200 5.414 5.233 5.655 . 0 0 "[ . 1]" 1
588 1 16 DG H8 1 27 DG H1' 3.800 2.900 4.700 3.174 2.868 3.810 0.032 4 0 "[ . 1]" 1
589 1 17 DT H6 1 27 DG H1' 5.500 3.800 7.200 5.007 4.749 5.356 . 0 0 "[ . 1]" 1
590 1 16 DG H8 1 27 DG H4' 3.800 2.900 4.700 3.983 3.421 4.546 . 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 64
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 19.147
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0144
_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 0.285 0.023 9 0 "[ . 1]"
1 2 DG 0.239 0.041 4 0 "[ . 1]"
1 4 DG 0.361 0.037 7 0 "[ . 1]"
1 6 DG 0.278 0.044 9 0 "[ . 1]"
1 8 DG 0.179 0.037 7 0 "[ . 1]"
1 10 DG 0.165 0.044 9 0 "[ . 1]"
1 12 DG 0.103 0.019 4 0 "[ . 1]"
1 14 DG 0.126 0.023 1 0 "[ . 1]"
1 16 DG 0.202 0.036 8 0 "[ . 1]"
1 18 DG 0.158 0.028 2 0 "[ . 1]"
1 19 DG 0.215 0.036 8 0 "[ . 1]"
1 21 DG 0.435 0.045 3 0 "[ . 1]"
1 22 DG 0.142 0.018 1 0 "[ . 1]"
1 24 DG 0.544 0.051 3 0 "[ . 1]"
1 25 DG 0.129 0.018 1 0 "[ . 1]"
1 27 DG 0.267 0.051 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H21 1 4 DG N7 2.000 . 2.200 1.806 1.777 1.879 0.023 9 0 "[ . 1]" 2
2 1 1 DG N2 1 4 DG N7 2.900 2.600 3.200 2.673 2.587 2.799 0.013 4 0 "[ . 1]" 2
3 1 1 DG H1 1 4 DG O6 2.000 . 2.200 2.061 1.795 2.221 0.021 10 0 "[ . 1]" 2
4 1 1 DG N1 1 4 DG O6 2.900 2.600 3.200 3.020 2.697 3.202 0.002 6 0 "[ . 1]" 2
5 1 4 DG H21 1 8 DG N7 2.000 . 2.200 1.914 1.785 2.210 0.015 1 0 "[ . 1]" 2
6 1 4 DG N2 1 8 DG N7 2.900 2.600 3.200 2.885 2.738 3.210 0.010 6 0 "[ . 1]" 2
7 1 4 DG H1 1 8 DG O6 2.000 . 2.200 2.094 1.801 2.237 0.037 7 0 "[ . 1]" 2
8 1 4 DG N1 1 8 DG O6 2.900 2.600 3.200 3.000 2.771 3.168 . 0 0 "[ . 1]" 2
9 1 8 DG H21 1 12 DG N7 2.000 . 2.200 1.972 1.803 2.145 . 0 0 "[ . 1]" 2
10 1 8 DG N2 1 12 DG N7 2.900 2.600 3.200 2.955 2.788 3.134 . 0 0 "[ . 1]" 2
11 1 8 DG H1 1 12 DG O6 2.000 . 2.200 2.043 1.883 2.163 . 0 0 "[ . 1]" 2
12 1 8 DG N1 1 12 DG O6 2.900 2.600 3.200 2.961 2.831 3.125 . 0 0 "[ . 1]" 2
13 1 1 DG N7 1 12 DG H21 2.000 . 2.200 2.012 1.794 2.202 0.006 10 0 "[ . 1]" 2
14 1 1 DG N7 1 12 DG N2 2.900 2.600 3.200 2.924 2.604 3.183 . 0 0 "[ . 1]" 2
15 1 1 DG O6 1 12 DG H1 2.000 . 2.200 1.826 1.781 1.977 0.019 4 0 "[ . 1]" 2
16 1 1 DG O6 1 12 DG N1 2.900 2.600 3.200 2.658 2.587 2.766 0.013 9 0 "[ . 1]" 2
17 1 2 DG H21 1 6 DG N7 2.000 . 2.200 2.047 1.822 2.214 0.014 3 0 "[ . 1]" 2
18 1 2 DG N2 1 6 DG N7 2.900 2.600 3.200 3.047 2.829 3.217 0.017 3 0 "[ . 1]" 2
19 1 2 DG H1 1 6 DG O6 2.000 . 2.200 2.183 2.078 2.241 0.041 4 0 "[ . 1]" 2
20 1 2 DG N1 1 6 DG O6 2.900 2.600 3.200 3.070 2.949 3.183 . 0 0 "[ . 1]" 2
21 1 6 DG H21 1 10 DG N7 2.000 . 2.200 2.151 2.004 2.244 0.044 9 0 "[ . 1]" 2
22 1 6 DG N2 1 10 DG N7 2.900 2.600 3.200 3.127 3.009 3.207 0.007 4 0 "[ . 1]" 2
23 1 6 DG H1 1 10 DG O6 2.000 . 2.200 2.090 1.887 2.208 0.008 6 0 "[ . 1]" 2
24 1 6 DG N1 1 10 DG O6 2.900 2.600 3.200 3.076 2.888 3.207 0.007 3 0 "[ . 1]" 2
25 1 10 DG H21 1 14 DG N7 2.000 . 2.200 2.036 1.904 2.177 . 0 0 "[ . 1]" 2
26 1 10 DG N2 1 14 DG N7 2.900 2.600 3.200 3.027 2.872 3.182 . 0 0 "[ . 1]" 2
27 1 10 DG H1 1 14 DG O6 2.000 . 2.200 1.944 1.785 2.098 0.015 3 0 "[ . 1]" 2
28 1 10 DG N1 1 14 DG O6 2.900 2.600 3.200 2.863 2.689 2.987 . 0 0 "[ . 1]" 2
29 1 2 DG N7 1 14 DG H21 2.000 . 2.200 1.858 1.777 1.979 0.023 1 0 "[ . 1]" 2
30 1 2 DG N7 1 14 DG N2 2.900 2.600 3.200 2.762 2.582 2.898 0.018 9 0 "[ . 1]" 2
31 1 2 DG O6 1 14 DG H1 2.000 . 2.200 2.093 1.885 2.219 0.019 1 0 "[ . 1]" 2
32 1 2 DG O6 1 14 DG N1 2.900 2.600 3.200 3.076 2.864 3.201 0.001 1 0 "[ . 1]" 2
33 1 16 DG H21 1 19 DG N7 2.000 . 2.200 1.886 1.764 2.075 0.036 8 0 "[ . 1]" 2
34 1 16 DG N2 1 19 DG N7 2.900 2.600 3.200 2.869 2.750 3.083 . 0 0 "[ . 1]" 2
35 1 16 DG H1 1 19 DG O6 2.000 . 2.200 2.131 1.834 2.235 0.035 7 0 "[ . 1]" 2
36 1 16 DG N1 1 19 DG O6 2.900 2.600 3.200 3.097 2.842 3.206 0.006 7 0 "[ . 1]" 2
37 1 19 DG H21 1 22 DG N7 2.000 . 2.200 1.903 1.790 2.125 0.010 9 0 "[ . 1]" 2
38 1 19 DG N2 1 22 DG N7 2.900 2.600 3.200 2.883 2.788 3.118 . 0 0 "[ . 1]" 2
39 1 19 DG H1 1 22 DG O6 2.000 . 2.200 2.053 1.831 2.209 0.009 4 0 "[ . 1]" 2
40 1 19 DG N1 1 22 DG O6 2.900 2.600 3.200 2.983 2.763 3.110 . 0 0 "[ . 1]" 2
41 1 22 DG H21 1 25 DG N7 2.000 . 2.200 2.023 1.931 2.204 0.004 10 0 "[ . 1]" 2
42 1 22 DG N2 1 25 DG N7 2.900 2.600 3.200 2.993 2.888 3.129 . 0 0 "[ . 1]" 2
43 1 22 DG H1 1 25 DG O6 2.000 . 2.200 2.157 1.994 2.218 0.018 1 0 "[ . 1]" 2
44 1 22 DG N1 1 25 DG O6 2.900 2.600 3.200 3.094 2.919 3.192 . 0 0 "[ . 1]" 2
45 1 16 DG N7 1 25 DG H21 2.000 . 2.200 2.056 1.826 2.206 0.006 5 0 "[ . 1]" 2
46 1 16 DG N7 1 25 DG N2 2.900 2.600 3.200 3.047 2.830 3.210 0.010 5 0 "[ . 1]" 2
47 1 16 DG O6 1 25 DG H1 2.000 . 2.200 1.983 1.803 2.205 0.005 5 0 "[ . 1]" 2
48 1 16 DG O6 1 25 DG N1 2.900 2.600 3.200 2.921 2.707 3.171 . 0 0 "[ . 1]" 2
49 1 18 DG H21 1 21 DG N7 2.000 . 2.200 1.860 1.773 2.192 0.027 3 0 "[ . 1]" 2
50 1 18 DG N2 1 21 DG N7 2.900 2.600 3.200 2.786 2.624 3.161 . 0 0 "[ . 1]" 2
51 1 18 DG H1 1 21 DG O6 2.000 . 2.200 1.987 1.796 2.228 0.028 2 0 "[ . 1]" 2
52 1 18 DG N1 1 21 DG O6 2.900 2.600 3.200 2.968 2.798 3.188 . 0 0 "[ . 1]" 2
53 1 21 DG H21 1 24 DG N7 2.000 . 2.200 1.894 1.755 2.226 0.045 3 0 "[ . 1]" 2
54 1 21 DG N2 1 24 DG N7 2.900 2.600 3.200 2.871 2.755 3.233 0.033 10 0 "[ . 1]" 2
55 1 21 DG H1 1 24 DG O6 2.000 . 2.200 1.994 1.762 2.227 0.038 10 0 "[ . 1]" 2
56 1 21 DG N1 1 24 DG O6 2.900 2.600 3.200 2.894 2.628 3.163 . 0 0 "[ . 1]" 2
57 1 24 DG H21 1 27 DG N7 2.000 . 2.200 1.901 1.749 2.158 0.051 3 0 "[ . 1]" 2
58 1 24 DG N2 1 27 DG N7 2.900 2.600 3.200 2.817 2.584 3.145 0.016 10 0 "[ . 1]" 2
59 1 24 DG H1 1 27 DG O6 2.000 . 2.200 2.051 1.796 2.251 0.051 3 0 "[ . 1]" 2
60 1 24 DG N1 1 27 DG O6 2.900 2.600 3.200 2.984 2.748 3.178 . 0 0 "[ . 1]" 2
61 1 18 DG N7 1 27 DG H21 2.000 . 2.200 1.935 1.795 2.076 0.005 8 0 "[ . 1]" 2
62 1 18 DG N7 1 27 DG N2 2.900 2.600 3.200 2.922 2.794 3.071 . 0 0 "[ . 1]" 2
63 1 18 DG O6 1 27 DG H1 2.000 . 2.200 2.029 1.839 2.129 . 0 0 "[ . 1]" 2
64 1 18 DG O6 1 27 DG N1 2.900 2.600 3.200 2.897 2.771 3.056 . 0 0 "[ . 1]" 2
stop_
save_
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