NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638762 |
6dm7   |
30473 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6dm7
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 311
_Distance_constraint_stats_list.Viol_count 291
_Distance_constraint_stats_list.Viol_total 602.269
_Distance_constraint_stats_list.Viol_max 0.961
_Distance_constraint_stats_list.Viol_rms 0.0405
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.1035
_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 0.111 0.047 14 0 "[ . 1 . 2]"
1 2 DG 1.295 0.513 5 2 "[ + - 1 . 2]"
1 3 DG 2.168 0.504 10 1 "[ . + . 2]"
1 4 DG 1.218 0.504 10 1 "[ . + . 2]"
1 5 DC 3.334 0.785 7 2 "[ . + 1 - . 2]"
1 6 DG 3.194 0.785 7 2 "[ . + 1 - . 2]"
1 7 DG 0.471 0.182 7 0 "[ . 1 . 2]"
1 8 DG 0.254 0.064 13 0 "[ . 1 . 2]"
1 9 DG 0.589 0.115 20 0 "[ . 1 . 2]"
2 1 DC 1.955 0.459 18 0 "[ . 1 . 2]"
2 2 DC 3.421 0.459 18 0 "[ . 1 . 2]"
2 3 DC 0.727 0.246 10 0 "[ . 1 . 2]"
2 4 DC 1.124 0.497 9 0 "[ . 1 . 2]"
2 5 DG 2.039 0.497 9 0 "[ . 1 . 2]"
2 6 DC 2.093 0.112 2 0 "[ . 1 . 2]"
2 7 DC 13.779 0.961 3 8 "[* + .- * * ** *2]"
2 8 DC 13.593 0.961 3 8 "[* + .- * * ** *2]"
2 9 DC 0.155 0.089 17 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 DG H1' 1 1 DG H2'' . . 3.830 2.363 2.307 2.418 . 0 0 "[ . 1 . 2]" 1
2 1 1 DG H1' 1 1 DG H3' . . 4.950 3.807 3.724 3.887 . 0 0 "[ . 1 . 2]" 1
3 1 1 DG H1' 1 1 DG H8 . . 4.900 3.821 3.584 3.910 . 0 0 "[ . 1 . 2]" 1
4 1 1 DG H1' 1 2 DG Q5' . . 4.800 3.574 2.726 4.545 . 0 0 "[ . 1 . 2]" 1
5 1 1 DG H1' 1 2 DG H8 . . 4.690 3.977 2.883 4.737 0.047 14 0 "[ . 1 . 2]" 1
6 1 1 DG H2'' 1 1 DG H3' . . 4.010 2.744 2.705 3.052 . 0 0 "[ . 1 . 2]" 1
7 1 1 DG H2'' 1 1 DG Q5' . . 5.500 3.954 3.750 4.503 . 0 0 "[ . 1 . 2]" 1
8 1 1 DG H2' 1 1 DG H3' . . 3.390 2.372 2.322 2.423 . 0 0 "[ . 1 . 2]" 1
9 1 1 DG H2' 1 1 DG Q5' . . 4.760 2.719 2.402 4.589 . 0 0 "[ . 1 . 2]" 1
10 1 1 DG H3' 1 1 DG H8 . . 5.500 4.623 3.205 5.327 . 0 0 "[ . 1 . 2]" 1
11 1 1 DG H3' 1 1 DG Q5' . . 3.710 2.552 2.211 2.849 . 0 0 "[ . 1 . 2]" 1
12 1 1 DG H3' 1 2 DG H8 . . 5.420 4.835 3.091 5.450 0.030 7 0 "[ . 1 . 2]" 1
13 1 1 DG Q5' 1 1 DG H8 . . 4.940 3.122 2.384 4.492 . 0 0 "[ . 1 . 2]" 1
14 1 1 DG H1' 1 1 DG Q5' . . 5.500 4.014 3.898 4.420 . 0 0 "[ . 1 . 2]" 1
15 1 2 DG H1' 1 2 DG H2'' . . 3.630 2.384 2.351 2.410 . 0 0 "[ . 1 . 2]" 1
16 1 2 DG H1' 1 2 DG H3' . . 4.920 3.791 3.735 3.839 . 0 0 "[ . 1 . 2]" 1
17 1 2 DG H1' 1 3 DG H5' . . 5.500 3.191 2.727 3.814 . 0 0 "[ . 1 . 2]" 1
18 1 2 DG H1' 1 3 DG H8 . . 4.770 4.105 3.716 4.466 . 0 0 "[ . 1 . 2]" 1
19 1 2 DG H2'' 1 2 DG H8 . . 4.060 4.035 3.879 4.573 0.513 5 2 "[ + - 1 . 2]" 1
20 1 2 DG H2'' 1 3 DG H5' . . 4.820 3.372 2.946 3.559 . 0 0 "[ . 1 . 2]" 1
21 1 2 DG H3' 1 2 DG H8 . . 4.930 4.545 4.341 4.951 0.021 5 0 "[ . 1 . 2]" 1
22 1 2 DG H1' 1 2 DG H4' . . 4.570 2.925 2.620 3.482 . 0 0 "[ . 1 . 2]" 1
23 1 2 DG H4' 1 2 DG H8 . . 5.500 4.881 4.494 4.984 . 0 0 "[ . 1 . 2]" 1
24 1 2 DG Q5' 1 2 DG H8 . . 5.500 3.888 2.343 4.546 . 0 0 "[ . 1 . 2]" 1
25 1 3 DG H1' 1 3 DG H2'' . . 3.740 2.421 2.413 2.464 . 0 0 "[ . 1 . 2]" 1
26 1 3 DG H1' 1 3 DG H2' . . 4.180 3.048 3.041 3.053 . 0 0 "[ . 1 . 2]" 1
27 1 3 DG H1' 1 3 DG H3' . . 5.280 3.721 3.657 3.762 . 0 0 "[ . 1 . 2]" 1
28 1 3 DG H1' 1 3 DG H4' . . 4.320 2.931 2.806 3.067 . 0 0 "[ . 1 . 2]" 1
29 1 3 DG H1' 1 4 DG H8 . . 4.470 3.931 2.755 4.488 0.018 5 0 "[ . 1 . 2]" 1
30 1 3 DG H1' 1 4 DG Q5' . . 4.530 3.596 2.236 4.576 0.046 19 0 "[ . 1 . 2]" 1
31 1 3 DG H2'' 1 3 DG H4' . . 4.960 3.995 3.935 4.043 . 0 0 "[ . 1 . 2]" 1
32 1 3 DG H2'' 1 3 DG H8 . . 3.530 3.577 3.400 3.630 0.100 3 0 "[ . 1 . 2]" 1
33 1 3 DG H2' 1 3 DG H3' . . 3.600 2.358 2.329 2.406 . 0 0 "[ . 1 . 2]" 1
34 1 3 DG H2' 1 3 DG H4' . . 5.120 3.790 3.756 3.811 . 0 0 "[ . 1 . 2]" 1
35 1 3 DG H2' 1 3 DG H8 . . 3.410 2.358 2.324 2.461 . 0 0 "[ . 1 . 2]" 1
36 1 3 DG H2' 1 4 DG Q5' . . 5.250 4.794 3.833 5.754 0.504 10 1 "[ . + . 2]" 1
37 1 3 DG H2'' 1 3 DG H3' . . 3.640 2.744 2.726 2.760 . 0 0 "[ . 1 . 2]" 1
38 1 3 DG H3' 1 3 DG H4' . . 3.750 2.839 2.815 2.870 . 0 0 "[ . 1 . 2]" 1
39 1 3 DG H4' 1 3 DG H8 . . 5.500 5.092 4.991 5.324 . 0 0 "[ . 1 . 2]" 1
40 1 3 DG H3' 1 3 DG H5' . . 3.680 3.642 3.629 3.662 . 0 0 "[ . 1 . 2]" 1
41 1 3 DG H5' 1 3 DG H8 . . 5.020 4.704 4.425 5.175 0.155 4 0 "[ . 1 . 2]" 1
42 1 4 DG H1' 1 4 DG Q2' . . 3.460 2.243 2.150 2.323 . 0 0 "[ . 1 . 2]" 1
43 1 4 DG H1' 1 4 DG H3' . . 4.880 3.826 3.740 3.919 . 0 0 "[ . 1 . 2]" 1
44 1 4 DG H1' 1 4 DG H4' . . 4.360 2.893 2.510 3.615 . 0 0 "[ . 1 . 2]" 1
45 1 4 DG H1' 1 4 DG H8 . . 4.610 3.815 3.548 3.921 . 0 0 "[ . 1 . 2]" 1
46 1 4 DG H1' 1 5 DC H5 . . 5.500 4.950 4.278 5.529 0.029 13 0 "[ . 1 . 2]" 1
47 1 4 DG H1' 1 5 DC H6 . . 4.910 4.259 3.490 4.965 0.055 19 0 "[ . 1 . 2]" 1
48 1 4 DG Q2' 1 4 DG H4' . . 5.240 3.184 2.718 3.475 . 0 0 "[ . 1 . 2]" 1
49 1 4 DG Q2' 1 5 DC H5 . . 4.720 2.951 2.575 3.421 . 0 0 "[ . 1 . 2]" 1
50 1 4 DG Q2' 1 5 DC H5' . . 4.630 3.312 2.194 4.854 0.224 19 0 "[ . 1 . 2]" 1
51 1 4 DG Q2' 1 5 DC H6 . . 3.940 2.253 2.168 2.405 . 0 0 "[ . 1 . 2]" 1
52 1 2 DG H2'' 1 2 DG H4' . . 5.370 3.902 3.645 4.138 . 0 0 "[ . 1 . 2]" 1
53 1 4 DG H3' 1 5 DC H6 . . 5.500 4.242 2.423 5.057 . 0 0 "[ . 1 . 2]" 1
54 1 4 DG H4' 1 4 DG H8 . . 5.500 4.764 4.266 4.993 . 0 0 "[ . 1 . 2]" 1
55 1 4 DG H8 1 5 DC H5 . . 5.360 4.106 3.830 4.265 . 0 0 "[ . 1 . 2]" 1
56 1 4 DG H8 1 5 DC H6 . . 5.500 5.314 4.740 5.534 0.034 14 0 "[ . 1 . 2]" 1
57 1 5 DC H1' 1 5 DC H2'' . . 3.630 2.324 2.266 2.368 . 0 0 "[ . 1 . 2]" 1
58 1 5 DC H1' 1 5 DC H2' . . 4.420 2.997 2.770 3.040 . 0 0 "[ . 1 . 2]" 1
59 1 5 DC H1' 1 5 DC H3' . . 5.220 3.859 3.805 3.932 . 0 0 "[ . 1 . 2]" 1
60 1 5 DC H1' 1 5 DC H4' . . 4.080 3.183 2.652 3.660 . 0 0 "[ . 1 . 2]" 1
61 1 5 DC H1' 1 5 DC H6 . . 5.080 3.716 3.609 3.736 . 0 0 "[ . 1 . 2]" 1
62 1 5 DC H1' 1 6 DG H8 . . 5.050 4.314 3.816 4.939 . 0 0 "[ . 1 . 2]" 1
63 1 5 DC H2'' 1 5 DC H3' . . 4.160 2.809 2.727 3.048 . 0 0 "[ . 1 . 2]" 1
64 1 5 DC H2'' 1 5 DC H6 . . 4.430 4.004 3.750 4.502 0.072 19 0 "[ . 1 . 2]" 1
65 1 5 DC H2'' 1 6 DG H5' . . 4.700 3.422 2.379 4.079 . 0 0 "[ . 1 . 2]" 1
66 1 5 DC H2'' 1 6 DG H8 . . 4.250 2.721 2.247 3.761 . 0 0 "[ . 1 . 2]" 1
67 1 5 DC H2' 1 5 DC H3' . . 3.600 2.329 2.255 2.401 . 0 0 "[ . 1 . 2]" 1
68 1 5 DC H2' 1 5 DC H5 . . 5.430 4.628 4.424 5.054 . 0 0 "[ . 1 . 2]" 1
69 1 5 DC H2' 1 5 DC H6 . . 3.410 2.653 2.274 3.385 . 0 0 "[ . 1 . 2]" 1
70 1 5 DC H2' 1 6 DG H5' . . 5.250 4.797 3.255 5.622 0.372 18 0 "[ . 1 . 2]" 1
71 1 5 DC H2' 1 6 DG H8 . . 4.400 2.770 2.179 3.311 . 0 0 "[ . 1 . 2]" 1
72 1 5 DC H3' 1 5 DC H6 . . 4.790 3.916 2.348 4.662 . 0 0 "[ . 1 . 2]" 1
73 1 5 DC H3' 1 6 DG H8 . . 5.220 4.555 3.589 5.233 0.013 5 0 "[ . 1 . 2]" 1
74 1 5 DC H5 1 5 DC H6 . . 3.350 2.449 2.422 2.454 . 0 0 "[ . 1 . 2]" 1
75 1 5 DC H5'' 1 5 DC H6 . . 5.170 4.049 2.272 5.093 . 0 0 "[ . 1 . 2]" 1
76 1 5 DC H1' 1 5 DC H5' . . 5.500 4.705 4.412 5.059 . 0 0 "[ . 1 . 2]" 1
77 1 5 DC H5' 1 5 DC H6 . . 5.500 3.978 3.634 4.500 . 0 0 "[ . 1 . 2]" 1
78 1 5 DC H6 1 6 DG H8 . . 5.500 4.561 4.170 5.269 . 0 0 "[ . 1 . 2]" 1
79 1 6 DG H1' 1 6 DG H2'' . . 3.590 2.364 2.227 2.422 . 0 0 "[ . 1 . 2]" 1
80 1 6 DG H1' 1 6 DG H2' . . 4.510 3.008 2.761 3.046 . 0 0 "[ . 1 . 2]" 1
81 1 6 DG H1' 1 6 DG H3' . . 5.090 3.807 3.718 3.896 . 0 0 "[ . 1 . 2]" 1
82 1 6 DG H1' 1 6 DG H4' . . 4.470 2.990 2.662 3.515 . 0 0 "[ . 1 . 2]" 1
83 1 6 DG H1' 1 6 DG H5' . . 5.500 4.700 4.439 4.974 . 0 0 "[ . 1 . 2]" 1
84 1 6 DG H1' 1 6 DG H8 . . 5.180 3.899 3.849 3.912 . 0 0 "[ . 1 . 2]" 1
85 1 6 DG H1' 1 7 DG Q5' . . 4.930 3.418 2.725 4.881 . 0 0 "[ . 1 . 2]" 1
86 1 6 DG H1' 1 7 DG H8 . . 4.780 4.030 3.623 4.782 0.002 7 0 "[ . 1 . 2]" 1
87 1 6 DG H2'' 1 6 DG H4' . . 5.020 3.766 2.780 4.138 . 0 0 "[ . 1 . 2]" 1
88 1 6 DG H2'' 1 7 DG Q5' . . 4.430 3.173 2.287 3.431 . 0 0 "[ . 1 . 2]" 1
89 1 6 DG H2' 1 6 DG H3' . . 3.590 2.333 2.276 2.379 . 0 0 "[ . 1 . 2]" 1
90 1 6 DG H2' 1 6 DG H4' . . 5.080 3.834 3.788 3.868 . 0 0 "[ . 1 . 2]" 1
91 1 6 DG H2' 1 6 DG H5'' . . 5.360 3.808 2.624 4.948 . 0 0 "[ . 1 . 2]" 1
92 1 6 DG H3' 1 6 DG H4' . . 3.730 2.881 2.722 3.031 . 0 0 "[ . 1 . 2]" 1
93 1 6 DG H3' 1 6 DG H8 . . 4.870 4.235 2.819 4.613 . 0 0 "[ . 1 . 2]" 1
94 1 6 DG H4' 1 6 DG H8 . . 5.500 4.912 4.420 5.117 . 0 0 "[ . 1 . 2]" 1
95 1 5 DC H1' 1 6 DG H5'' . . 5.500 5.001 4.510 6.285 0.785 7 2 "[ . + 1 - . 2]" 1
96 1 6 DG H5'' 1 6 DG H8 . . 5.500 4.374 2.384 5.519 0.019 11 0 "[ . 1 . 2]" 1
97 1 6 DG H5' 1 6 DG H8 . . 5.170 4.741 3.601 5.232 0.062 15 0 "[ . 1 . 2]" 1
98 1 7 DG H1' 1 7 DG Q2' . . 3.800 2.280 2.170 2.357 . 0 0 "[ . 1 . 2]" 1
99 1 7 DG H1' 1 7 DG H3' . . 5.040 3.805 3.654 3.927 . 0 0 "[ . 1 . 2]" 1
100 1 7 DG H1' 1 7 DG H4' . . 4.270 2.853 2.513 3.536 . 0 0 "[ . 1 . 2]" 1
101 1 7 DG H1' 1 7 DG H8 . . 5.040 3.877 3.811 3.906 . 0 0 "[ . 1 . 2]" 1
102 1 7 DG H1' 1 8 DG Q5' . . 4.640 3.657 3.012 4.560 . 0 0 "[ . 1 . 2]" 1
103 1 7 DG H1' 1 8 DG H8 . . 4.890 4.007 2.693 4.808 . 0 0 "[ . 1 . 2]" 1
104 1 7 DG Q2' 1 7 DG H4' . . 4.770 3.340 2.952 3.522 . 0 0 "[ . 1 . 2]" 1
105 1 7 DG Q2' 1 7 DG H8 . . 3.210 2.744 2.282 3.198 . 0 0 "[ . 1 . 2]" 1
106 1 7 DG Q2' 1 8 DG Q5' . . 4.370 3.021 2.532 3.500 . 0 0 "[ . 1 . 2]" 1
107 1 7 DG H3' 1 7 DG H8 . . 4.580 4.362 3.342 4.634 0.054 20 0 "[ . 1 . 2]" 1
108 1 7 DG H4' 1 7 DG H8 . . 5.500 4.874 4.458 5.295 . 0 0 "[ . 1 . 2]" 1
109 1 7 DG H3' 1 7 DG Q5' . . 3.800 2.541 2.143 2.814 . 0 0 "[ . 1 . 2]" 1
110 1 7 DG Q5' 1 7 DG H8 . . 5.500 4.165 2.162 4.850 . 0 0 "[ . 1 . 2]" 1
111 1 6 DG H2'' 1 7 DG H8 . . 3.760 2.825 2.333 3.942 0.182 7 0 "[ . 1 . 2]" 1
112 1 8 DG H1' 1 8 DG H2' . . 3.550 2.976 2.700 3.044 . 0 0 "[ . 1 . 2]" 1
113 1 8 DG H1' 1 8 DG H2'' . . 4.080 2.342 2.242 2.404 . 0 0 "[ . 1 . 2]" 1
114 1 8 DG H1' 1 8 DG H3' . . 5.110 3.811 3.750 3.891 . 0 0 "[ . 1 . 2]" 1
115 1 8 DG H1' 1 8 DG H4' . . 4.270 3.025 2.622 3.552 . 0 0 "[ . 1 . 2]" 1
116 1 8 DG H1' 1 8 DG H8 . . 4.910 3.866 3.724 3.905 . 0 0 "[ . 1 . 2]" 1
117 1 8 DG H1' 1 9 DG Q5' . . 4.690 3.965 2.763 4.419 . 0 0 "[ . 1 . 2]" 1
118 1 8 DG H1' 1 9 DG H8 . . 4.820 4.329 3.540 4.855 0.035 5 0 "[ . 1 . 2]" 1
119 1 8 DG H2' 1 9 DG H8 . . 4.110 3.079 2.232 3.819 . 0 0 "[ . 1 . 2]" 1
120 1 8 DG H2'' 1 9 DG Q5' . . 4.990 2.898 2.255 3.429 . 0 0 "[ . 1 . 2]" 1
121 1 8 DG H2'' 1 9 DG H8 . . 4.810 2.822 2.290 3.951 . 0 0 "[ . 1 . 2]" 1
122 1 8 DG H3' 1 8 DG H8 . . 4.620 4.136 2.784 4.684 0.064 13 0 "[ . 1 . 2]" 1
123 1 8 DG H3' 1 9 DG H8 . . 5.500 4.673 3.045 5.511 0.011 6 0 "[ . 1 . 2]" 1
124 1 8 DG H3' 1 8 DG Q5' . . 3.520 2.543 2.204 2.901 . 0 0 "[ . 1 . 2]" 1
125 1 8 DG Q5' 1 8 DG H8 . . 5.110 3.866 2.193 4.492 . 0 0 "[ . 1 . 2]" 1
126 1 9 DG H1' 1 9 DG H2' . . 4.010 2.933 2.777 3.049 . 0 0 "[ . 1 . 2]" 1
127 1 9 DG H1' 1 9 DG H2'' . . 3.540 2.351 2.273 2.413 . 0 0 "[ . 1 . 2]" 1
128 1 9 DG H1' 1 9 DG H3' . . 5.440 3.818 3.744 3.930 . 0 0 "[ . 1 . 2]" 1
129 1 9 DG H1' 1 9 DG H4' . . 4.290 3.095 2.831 3.320 . 0 0 "[ . 1 . 2]" 1
130 1 9 DG H1' 1 9 DG Q5' . . 5.500 4.238 4.102 4.383 . 0 0 "[ . 1 . 2]" 1
131 1 9 DG H1' 1 9 DG H8 . . 5.010 3.879 3.821 3.915 . 0 0 "[ . 1 . 2]" 1
132 1 9 DG H2' 1 9 DG H3' . . 3.630 2.356 2.311 2.381 . 0 0 "[ . 1 . 2]" 1
133 1 9 DG H2' 1 9 DG H8 . . 3.390 3.003 2.502 3.505 0.115 20 0 "[ . 1 . 2]" 1
134 1 9 DG H2'' 1 9 DG H3' . . 4.440 2.873 2.727 3.037 . 0 0 "[ . 1 . 2]" 1
135 1 9 DG H2'' 1 9 DG H4' . . 4.730 3.465 2.768 4.026 . 0 0 "[ . 1 . 2]" 1
136 1 9 DG H2'' 1 9 DG H8 . . 4.650 4.199 3.821 4.533 . 0 0 "[ . 1 . 2]" 1
137 1 9 DG H3' 1 9 DG H4' . . 3.940 2.928 2.817 3.036 . 0 0 "[ . 1 . 2]" 1
138 1 9 DG H3' 1 9 DG H8 . . 4.730 3.740 2.358 4.741 0.011 6 0 "[ . 1 . 2]" 1
139 1 9 DG Q5' 1 9 DG H8 . . 5.490 3.727 2.909 4.440 . 0 0 "[ . 1 . 2]" 1
140 2 1 DC H1' 2 1 DC Q2' . . 3.680 2.270 2.210 2.302 . 0 0 "[ . 1 . 2]" 1
141 2 1 DC H1' 2 1 DC H3' . . 5.500 3.812 3.718 3.904 . 0 0 "[ . 1 . 2]" 1
142 2 1 DC H1' 2 1 DC H4' . . 4.290 3.187 2.668 3.487 . 0 0 "[ . 1 . 2]" 1
143 2 1 DC Q2' 2 1 DC H3' . . 3.560 2.207 2.169 2.237 . 0 0 "[ . 1 . 2]" 1
144 2 1 DC Q2' 2 1 DC H6 . . 3.590 2.605 2.251 2.986 . 0 0 "[ . 1 . 2]" 1
145 2 1 DC Q2' 2 2 DC H5 . . 4.520 2.825 2.562 3.511 . 0 0 "[ . 1 . 2]" 1
146 2 1 DC Q2' 2 2 DC H5' . . 4.600 3.740 2.620 5.059 0.459 18 0 "[ . 1 . 2]" 1
147 2 1 DC Q2' 2 2 DC H6 . . 4.170 2.262 2.083 2.940 . 0 0 "[ . 1 . 2]" 1
148 2 1 DC H3' 2 1 DC H4' . . 4.010 2.813 2.725 2.993 . 0 0 "[ . 1 . 2]" 1
149 2 1 DC H3' 2 1 DC H5'' . . 4.280 3.159 2.422 3.697 . 0 0 "[ . 1 . 2]" 1
150 2 1 DC H3' 2 1 DC H5' . . 4.780 2.729 2.392 3.665 . 0 0 "[ . 1 . 2]" 1
151 2 1 DC H3' 2 1 DC H6 . . 4.690 4.266 3.690 4.691 0.001 3 0 "[ . 1 . 2]" 1
152 2 1 DC H3' 2 2 DC H5 . . 5.060 5.061 4.737 5.162 0.102 8 0 "[ . 1 . 2]" 1
153 2 1 DC H3' 2 2 DC H6 . . 5.000 4.292 3.709 4.718 . 0 0 "[ . 1 . 2]" 1
154 2 1 DC H5 2 1 DC H6 . . 3.420 2.449 2.441 2.456 . 0 0 "[ . 1 . 2]" 1
155 2 1 DC H5 2 2 DC H5 . . 5.500 4.520 3.729 5.504 0.004 18 0 "[ . 1 . 2]" 1
156 2 1 DC H1' 2 1 DC H5'' . . 5.500 4.578 4.227 4.994 . 0 0 "[ . 1 . 2]" 1
157 2 1 DC H5'' 2 1 DC H6 . . 4.790 3.468 2.320 4.638 . 0 0 "[ . 1 . 2]" 1
158 2 1 DC H1' 2 1 DC H5' . . 5.500 4.532 4.234 5.021 . 0 0 "[ . 1 . 2]" 1
159 2 1 DC H5' 2 1 DC H6 . . 4.970 3.417 2.350 4.998 0.028 15 0 "[ . 1 . 2]" 1
160 2 2 DC H1' 2 2 DC H2'' . . 3.510 2.362 2.310 2.404 . 0 0 "[ . 1 . 2]" 1
161 2 2 DC H1' 2 2 DC H2' . . 4.230 3.037 3.011 3.050 . 0 0 "[ . 1 . 2]" 1
162 2 2 DC H1' 2 2 DC H3' . . 5.040 3.788 3.638 3.882 . 0 0 "[ . 1 . 2]" 1
163 2 2 DC H1' 2 2 DC H4' . . 4.090 3.057 2.442 3.525 . 0 0 "[ . 1 . 2]" 1
164 2 2 DC H1' 2 2 DC H6 . . 4.690 3.729 3.693 3.752 . 0 0 "[ . 1 . 2]" 1
165 2 2 DC H1' 2 3 DC H5 . . 5.500 5.024 4.713 5.523 0.023 10 0 "[ . 1 . 2]" 1
166 2 2 DC H2'' 2 2 DC H6 . . 4.080 3.787 3.506 4.188 0.108 8 0 "[ . 1 . 2]" 1
167 2 2 DC H2' 2 2 DC H3' . . 3.500 2.334 2.269 2.397 . 0 0 "[ . 1 . 2]" 1
168 2 2 DC H2' 2 2 DC H4' . . 5.070 3.838 3.806 3.861 . 0 0 "[ . 1 . 2]" 1
169 2 2 DC H2' 2 2 DC H6 . . 3.260 2.404 2.160 2.874 . 0 0 "[ . 1 . 2]" 1
170 2 2 DC H2' 2 3 DC H5 . . 4.810 3.633 2.813 4.480 . 0 0 "[ . 1 . 2]" 1
171 2 2 DC H3' 2 2 DC H6 . . 4.670 4.194 4.019 4.489 . 0 0 "[ . 1 . 2]" 1
172 2 2 DC H5 2 2 DC H6 . . 3.180 2.448 2.432 2.456 . 0 0 "[ . 1 . 2]" 1
173 2 2 DC H5' 2 2 DC H6 . . 4.990 4.302 3.756 5.403 0.413 16 0 "[ . 1 . 2]" 1
174 2 2 DC H5'' 2 2 DC H6 . . 5.500 4.108 2.412 5.217 . 0 0 "[ . 1 . 2]" 1
175 2 3 DC H1' 2 3 DC H2'' . . 3.600 2.369 2.324 2.427 . 0 0 "[ . 1 . 2]" 1
176 2 3 DC H1' 2 3 DC H2' . . 4.390 3.038 3.023 3.050 . 0 0 "[ . 1 . 2]" 1
177 2 3 DC H1' 2 3 DC H3' . . 5.220 3.778 3.601 3.852 . 0 0 "[ . 1 . 2]" 1
178 2 3 DC H1' 2 3 DC H4' . . 4.100 2.865 2.607 3.426 . 0 0 "[ . 1 . 2]" 1
179 2 3 DC H1' 2 4 DC H6 . . 5.050 4.058 3.532 4.544 . 0 0 "[ . 1 . 2]" 1
180 2 3 DC H2'' 2 4 DC H6 . . 4.040 2.499 2.291 3.016 . 0 0 "[ . 1 . 2]" 1
181 2 3 DC H2' 2 3 DC H3' . . 3.520 2.321 2.264 2.401 . 0 0 "[ . 1 . 2]" 1
182 2 3 DC H2' 2 3 DC H6 . . 3.240 2.484 2.214 2.994 . 0 0 "[ . 1 . 2]" 1
183 2 3 DC H2' 2 4 DC H5 . . 4.750 3.898 3.447 4.638 . 0 0 "[ . 1 . 2]" 1
184 2 3 DC H2' 2 4 DC H6 . . 4.720 3.319 2.537 3.722 . 0 0 "[ . 1 . 2]" 1
185 2 3 DC H3' 2 3 DC H6 . . 4.490 4.213 3.910 4.594 0.104 3 0 "[ . 1 . 2]" 1
186 2 3 DC H5 2 3 DC H6 . . 3.180 2.454 2.437 2.470 . 0 0 "[ . 1 . 2]" 1
187 2 3 DC H5' 2 3 DC H6 . . 4.840 4.477 3.514 5.086 0.246 10 0 "[ . 1 . 2]" 1
188 2 3 DC H5'' 2 3 DC H6 . . 5.360 4.423 2.436 5.392 0.032 11 0 "[ . 1 . 2]" 1
189 2 2 DC H1' 2 3 DC H6 . . 5.090 3.978 3.589 4.661 . 0 0 "[ . 1 . 2]" 1
190 2 3 DC H1' 2 3 DC H6 . . 4.750 3.728 3.664 3.756 . 0 0 "[ . 1 . 2]" 1
191 2 4 DC H1' 2 4 DC H2'' . . 3.630 2.303 2.258 2.387 . 0 0 "[ . 1 . 2]" 1
192 2 4 DC H1' 2 4 DC H2' . . 4.230 3.001 2.796 3.042 . 0 0 "[ . 1 . 2]" 1
193 2 4 DC H1' 2 4 DC H3' . . 5.180 3.855 3.777 3.891 . 0 0 "[ . 1 . 2]" 1
194 2 4 DC H1' 2 4 DC H4' . . 4.060 2.700 2.589 3.251 . 0 0 "[ . 1 . 2]" 1
195 2 4 DC H1' 2 4 DC H6 . . 5.080 3.717 3.693 3.733 . 0 0 "[ . 1 . 2]" 1
196 2 4 DC H1' 2 5 DG H5' . . 5.250 3.994 3.270 5.747 0.497 9 0 "[ . 1 . 2]" 1
197 2 4 DC H1' 2 5 DG H8 . . 5.140 4.339 4.124 4.969 . 0 0 "[ . 1 . 2]" 1
198 2 4 DC H2'' 2 4 DC H3' . . 4.030 2.905 2.769 3.036 . 0 0 "[ . 1 . 2]" 1
199 2 4 DC H2'' 2 4 DC H6 . . 4.100 4.072 3.777 4.258 0.158 11 0 "[ . 1 . 2]" 1
200 2 4 DC H2'' 2 5 DG H5' . . 4.960 2.921 2.291 3.934 . 0 0 "[ . 1 . 2]" 1
201 2 4 DC H2'' 2 5 DG H5'' . . 4.640 4.052 2.491 4.265 . 0 0 "[ . 1 . 2]" 1
202 2 4 DC H2'' 2 5 DG H8 . . 4.250 2.617 2.364 3.995 . 0 0 "[ . 1 . 2]" 1
203 2 4 DC H2' 2 4 DC H3' . . 3.570 2.272 2.251 2.375 . 0 0 "[ . 1 . 2]" 1
204 2 4 DC H2' 2 4 DC H4' . . 5.090 3.856 3.841 3.885 . 0 0 "[ . 1 . 2]" 1
205 2 4 DC H2' 2 4 DC H5 . . 5.160 4.630 4.497 4.969 . 0 0 "[ . 1 . 2]" 1
206 2 4 DC H2' 2 4 DC H6 . . 3.260 2.709 2.342 3.269 0.009 11 0 "[ . 1 . 2]" 1
207 2 4 DC H2' 2 5 DG H8 . . 4.580 2.585 2.309 3.384 . 0 0 "[ . 1 . 2]" 1
208 2 4 DC H3' 2 4 DC H6 . . 4.540 3.700 2.419 4.256 . 0 0 "[ . 1 . 2]" 1
209 2 4 DC H3' 2 5 DG H8 . . 5.360 4.435 3.345 5.362 0.002 9 0 "[ . 1 . 2]" 1
210 2 3 DC H1' 2 4 DC H5 . . 5.500 5.109 4.724 5.526 0.026 6 0 "[ . 1 . 2]" 1
211 2 4 DC H5 2 4 DC H6 . . 3.270 2.454 2.447 2.458 . 0 0 "[ . 1 . 2]" 1
212 2 4 DC Q5' 2 4 DC H6 . . 4.990 3.937 2.489 4.283 . 0 0 "[ . 1 . 2]" 1
213 2 3 DC H1' 2 4 DC Q5' . . 4.420 3.509 2.877 4.371 . 0 0 "[ . 1 . 2]" 1
214 2 4 DC H6 2 5 DG H8 . . 5.500 4.612 4.031 4.931 . 0 0 "[ . 1 . 2]" 1
215 2 5 DG H1' 2 5 DG H2' . . 4.400 3.041 3.003 3.050 . 0 0 "[ . 1 . 2]" 1
216 2 5 DG H1' 2 5 DG H3' . . 4.790 3.796 3.755 3.900 . 0 0 "[ . 1 . 2]" 1
217 2 5 DG H1' 2 5 DG H4' . . 4.440 2.940 2.601 3.171 . 0 0 "[ . 1 . 2]" 1
218 2 5 DG H1' 2 5 DG H8 . . 5.300 3.899 3.866 3.910 . 0 0 "[ . 1 . 2]" 1
219 2 5 DG H1' 2 6 DC H5 . . 5.500 4.145 3.914 4.961 . 0 0 "[ . 1 . 2]" 1
220 2 5 DG H1' 2 6 DC Q5' . . 4.480 3.679 2.861 4.460 . 0 0 "[ . 1 . 2]" 1
221 2 5 DG H2'' 2 5 DG H4' . . 5.120 3.884 3.421 4.021 . 0 0 "[ . 1 . 2]" 1
222 2 5 DG H2'' 2 6 DC H5 . . 4.540 2.837 2.489 3.891 . 0 0 "[ . 1 . 2]" 1
223 2 5 DG H2'' 2 6 DC H6 . . 3.910 2.199 2.105 2.278 . 0 0 "[ . 1 . 2]" 1
224 2 5 DG H2' 2 5 DG H8 . . 3.430 2.412 2.326 2.609 . 0 0 "[ . 1 . 2]" 1
225 2 5 DG H3' 2 5 DG H8 . . 4.940 4.394 3.874 4.541 . 0 0 "[ . 1 . 2]" 1
226 2 5 DG H3' 2 6 DC H6 . . 5.440 4.768 4.341 4.944 . 0 0 "[ . 1 . 2]" 1
227 2 5 DG H3' 2 5 DG H4' . . 3.580 2.857 2.784 2.978 . 0 0 "[ . 1 . 2]" 1
228 2 5 DG H4' 2 5 DG H8 . . 5.500 4.993 4.808 5.114 . 0 0 "[ . 1 . 2]" 1
229 2 5 DG H4' 2 6 DC H6 . . 5.500 5.568 5.521 5.612 0.112 2 0 "[ . 1 . 2]" 1
230 2 5 DG H3' 2 5 DG H5' . . 3.950 3.587 2.431 3.655 . 0 0 "[ . 1 . 2]" 1
231 2 5 DG H5' 2 5 DG H8 . . 5.500 4.645 4.346 5.277 . 0 0 "[ . 1 . 2]" 1
232 2 5 DG H3' 2 5 DG H5'' . . 3.330 2.617 2.457 2.888 . 0 0 "[ . 1 . 2]" 1
233 2 5 DG H5'' 2 5 DG H8 . . 5.500 5.188 3.700 5.545 0.045 19 0 "[ . 1 . 2]" 1
234 2 5 DG H2'' 2 5 DG H8 . . 3.970 3.767 3.628 4.053 0.083 5 0 "[ . 1 . 2]" 1
235 2 5 DG H8 2 6 DC H5 . . 5.180 3.753 3.446 4.061 . 0 0 "[ . 1 . 2]" 1
236 2 5 DG H8 2 6 DC H6 . . 5.500 5.124 4.479 5.442 . 0 0 "[ . 1 . 2]" 1
237 2 6 DC H1' 2 6 DC H2'' . . 3.630 2.319 2.283 2.358 . 0 0 "[ . 1 . 2]" 1
238 2 6 DC H1' 2 6 DC H2' . . 4.180 3.018 3.003 3.036 . 0 0 "[ . 1 . 2]" 1
239 2 6 DC H1' 2 6 DC H3' . . 5.420 3.887 3.824 3.937 . 0 0 "[ . 1 . 2]" 1
240 2 6 DC H1' 2 6 DC H4' . . 3.980 3.295 2.748 3.573 . 0 0 "[ . 1 . 2]" 1
241 2 6 DC H1' 2 7 DC H5 . . 5.500 4.932 4.463 5.260 . 0 0 "[ . 1 . 2]" 1
242 2 6 DC H2'' 2 6 DC H4' . . 4.260 3.955 3.445 4.104 . 0 0 "[ . 1 . 2]" 1
243 2 6 DC H2'' 2 6 DC H6 . . 4.290 4.005 3.757 4.285 . 0 0 "[ . 1 . 2]" 1
244 2 6 DC H2'' 2 7 DC H5 . . 4.920 3.840 3.289 4.258 . 0 0 "[ . 1 . 2]" 1
245 2 6 DC H2' 2 6 DC H3' . . 3.630 2.306 2.254 2.353 . 0 0 "[ . 1 . 2]" 1
246 2 6 DC H2' 2 6 DC H4' . . 4.970 3.872 3.838 3.916 . 0 0 "[ . 1 . 2]" 1
247 2 6 DC H2' 2 6 DC H5 . . 5.500 4.476 4.322 4.701 . 0 0 "[ . 1 . 2]" 1
248 2 6 DC H2' 2 6 DC H6 . . 3.420 2.600 2.317 2.989 . 0 0 "[ . 1 . 2]" 1
249 2 6 DC H2' 2 7 DC H5 . . 4.700 3.358 3.268 3.437 . 0 0 "[ . 1 . 2]" 1
250 2 6 DC H3' 2 6 DC H4' . . 4.070 2.805 2.721 2.979 . 0 0 "[ . 1 . 2]" 1
251 2 6 DC H3' 2 6 DC H6 . . 4.570 4.054 3.628 4.373 . 0 0 "[ . 1 . 2]" 1
252 2 6 DC H3' 2 7 DC H5 . . 5.500 5.533 5.444 5.583 0.083 15 0 "[ . 1 . 2]" 1
253 2 5 DG H2' 2 6 DC H5 . . 5.090 3.223 2.805 3.377 . 0 0 "[ . 1 . 2]" 1
254 2 6 DC H5 2 6 DC H6 . . 3.370 2.456 2.448 2.461 . 0 0 "[ . 1 . 2]" 1
255 2 6 DC H5 2 7 DC H5 . . 5.500 4.150 3.748 4.536 . 0 0 "[ . 1 . 2]" 1
256 2 6 DC Q5' 2 6 DC H6 . . 4.780 3.099 2.240 4.057 . 0 0 "[ . 1 . 2]" 1
257 2 5 DG H1' 2 6 DC H6 . . 4.490 3.295 3.094 4.048 . 0 0 "[ . 1 . 2]" 1
258 2 6 DC H1' 2 6 DC H6 . . 4.860 3.718 3.690 3.742 . 0 0 "[ . 1 . 2]" 1
259 2 6 DC H4' 2 6 DC H6 . . 5.300 4.316 4.057 4.524 . 0 0 "[ . 1 . 2]" 1
260 2 6 DC H6 2 7 DC H5 . . 5.420 4.190 3.758 4.644 . 0 0 "[ . 1 . 2]" 1
261 2 6 DC H6 2 7 DC H6 . . 5.500 4.957 4.520 5.505 0.005 6 0 "[ . 1 . 2]" 1
262 2 7 DC H1' 2 7 DC H2'' . . 3.460 2.286 2.224 2.366 . 0 0 "[ . 1 . 2]" 1
263 2 7 DC H1' 2 7 DC H2' . . 4.260 2.983 2.859 3.040 . 0 0 "[ . 1 . 2]" 1
264 2 7 DC H1' 2 7 DC H3' . . 4.200 3.844 3.771 3.901 . 0 0 "[ . 1 . 2]" 1
265 2 7 DC H1' 2 7 DC H4' . . 4.080 2.803 2.582 3.418 . 0 0 "[ . 1 . 2]" 1
266 2 7 DC H1' 2 8 DC H6 . . 4.890 4.552 4.190 4.863 . 0 0 "[ . 1 . 2]" 1
267 2 7 DC H2'' 2 8 DC H4' . . 3.590 3.725 3.681 3.791 0.201 20 0 "[ . 1 . 2]" 1
268 2 7 DC H2'' 2 8 DC H5 . . 4.820 4.703 4.385 4.868 0.048 4 0 "[ . 1 . 2]" 1
269 2 7 DC H2'' 2 8 DC H5'' . . 4.250 3.119 2.301 3.855 . 0 0 "[ . 1 . 2]" 1
270 2 7 DC H2'' 2 8 DC H6 . . 3.850 2.954 2.506 3.303 . 0 0 "[ . 1 . 2]" 1
271 2 7 DC H2' 2 7 DC H3' . . 3.640 2.299 2.257 2.374 . 0 0 "[ . 1 . 2]" 1
272 2 7 DC H2' 2 8 DC H5 . . 4.630 3.559 2.881 4.196 . 0 0 "[ . 1 . 2]" 1
273 2 7 DC H2' 2 8 DC H5' . . 4.330 4.373 3.562 5.291 0.961 3 5 "[* + .- 1 * . *2]" 1
274 2 7 DC H3' 2 7 DC H6 . . 4.380 3.701 2.828 4.423 0.043 6 0 "[ . 1 . 2]" 1
275 2 7 DC H5 2 7 DC H6 . . 3.220 2.451 2.434 2.465 . 0 0 "[ . 1 . 2]" 1
276 2 6 DC H1' 2 7 DC Q5' . . 5.500 3.584 2.785 4.614 . 0 0 "[ . 1 . 2]" 1
277 2 7 DC H1' 2 7 DC Q5' . . 4.010 4.047 4.000 4.157 0.147 10 0 "[ . 1 . 2]" 1
278 2 7 DC Q5' 2 7 DC H6 . . 4.850 3.571 2.303 4.165 . 0 0 "[ . 1 . 2]" 1
279 2 6 DC H1' 2 7 DC H6 . . 5.020 3.917 3.666 4.277 . 0 0 "[ . 1 . 2]" 1
280 2 7 DC H1' 2 7 DC H6 . . 4.940 3.695 3.671 3.713 . 0 0 "[ . 1 . 2]" 1
281 2 7 DC H2' 2 7 DC H6 . . 3.650 2.918 2.657 3.379 . 0 0 "[ . 1 . 2]" 1
282 2 7 DC H6 2 8 DC H5 . . 5.500 4.087 3.791 4.598 . 0 0 "[ . 1 . 2]" 1
283 2 8 DC H1' 2 8 DC H2'' . . 3.350 2.300 2.238 2.368 . 0 0 "[ . 1 . 2]" 1
284 2 8 DC H1' 2 8 DC H2' . . 4.440 2.944 2.786 3.042 . 0 0 "[ . 1 . 2]" 1
285 2 8 DC H1' 2 8 DC H3' . . 5.140 3.847 3.802 3.886 . 0 0 "[ . 1 . 2]" 1
286 2 8 DC H1' 2 8 DC H4' . . 4.150 2.929 2.494 3.352 . 0 0 "[ . 1 . 2]" 1
287 2 8 DC H1' 2 8 DC H6 . . 4.860 3.694 3.668 3.725 . 0 0 "[ . 1 . 2]" 1
288 2 8 DC H1' 2 9 DC H6 . . 5.500 4.663 4.006 5.589 0.089 17 0 "[ . 1 . 2]" 1
289 2 8 DC H2' 2 8 DC H3' . . 3.600 2.321 2.269 2.390 . 0 0 "[ . 1 . 2]" 1
290 2 8 DC H2' 2 8 DC H5'' . . 4.750 4.262 2.714 4.944 0.194 16 0 "[ . 1 . 2]" 1
291 2 8 DC H3' 2 8 DC H6 . . 4.100 3.483 2.506 4.209 0.109 19 0 "[ . 1 . 2]" 1
292 2 8 DC H3' 2 9 DC H6 . . 5.070 4.309 3.642 4.987 . 0 0 "[ . 1 . 2]" 1
293 2 8 DC H5 2 8 DC H6 . . 3.130 2.452 2.441 2.468 . 0 0 "[ . 1 . 2]" 1
294 2 7 DC H1' 2 8 DC H5'' . . 5.280 5.192 4.543 6.043 0.763 16 3 "[ . - *+ 2]" 1
295 2 8 DC H5'' 2 8 DC H6 . . 5.330 3.790 2.339 5.329 . 0 0 "[ . 1 . 2]" 1
296 2 8 DC H5' 2 8 DC H6 . . 4.890 4.385 3.888 5.071 0.181 3 0 "[ . 1 . 2]" 1
297 2 9 DC H1' 2 9 DC H3' . . 5.390 3.874 3.858 3.886 . 0 0 "[ . 1 . 2]" 1
298 2 9 DC H1' 2 9 DC H4' . . 4.430 3.021 2.651 3.179 . 0 0 "[ . 1 . 2]" 1
299 2 9 DC H1' 2 9 DC Q5' . . 5.500 4.282 4.074 4.338 . 0 0 "[ . 1 . 2]" 1
300 2 9 DC H1' 2 9 DC H6 . . 5.080 3.712 3.704 3.730 . 0 0 "[ . 1 . 2]" 1
301 2 9 DC H1' 2 9 DC Q2' . . 3.410 2.178 2.173 2.196 . 0 0 "[ . 1 . 2]" 1
302 2 9 DC H3' 2 9 DC H5 . . 5.500 4.821 4.612 5.534 0.034 9 0 "[ . 1 . 2]" 1
303 2 9 DC H3' 2 9 DC H6 . . 4.140 2.678 2.497 3.248 . 0 0 "[ . 1 . 2]" 1
304 2 9 DC Q2' 2 9 DC H3' . . 3.590 2.275 2.205 2.294 . 0 0 "[ . 1 . 2]" 1
305 2 9 DC H3' 2 9 DC H4' . . 3.820 3.030 3.023 3.037 . 0 0 "[ . 1 . 2]" 1
306 2 9 DC H5 2 9 DC H6 . . 3.240 2.449 2.447 2.454 . 0 0 "[ . 1 . 2]" 1
307 2 8 DC H1' 2 9 DC Q5' . . 5.500 4.415 3.402 5.292 . 0 0 "[ . 1 . 2]" 1
308 2 9 DC Q5' 2 9 DC H6 . . 4.950 3.426 2.897 4.194 . 0 0 "[ . 1 . 2]" 1
309 2 9 DC Q2' 2 9 DC H6 . . 3.460 3.123 2.677 3.258 . 0 0 "[ . 1 . 2]" 1
310 2 9 DC Q2' 2 9 DC H5 . . 5.410 4.621 4.313 4.745 . 0 0 "[ . 1 . 2]" 1
311 2 9 DC Q2' 2 9 DC Q5' . . 4.340 3.842 3.674 3.984 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 41
_Distance_constraint_stats_list.Viol_count 123
_Distance_constraint_stats_list.Viol_total 77.266
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0130
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0314
_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 2 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 DC 0.923 0.208 19 0 "[ . 1 . 2]"
1 6 DG 0.314 0.208 19 0 "[ . 1 . 2]"
1 7 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 DC 0.572 0.032 16 0 "[ . 1 . 2]"
2 3 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DC 0.609 0.034 5 0 "[ . 1 . 2]"
2 5 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DC 0.605 0.034 10 0 "[ . 1 . 2]"
2 7 DC 0.571 0.031 19 0 "[ . 1 . 2]"
2 8 DC 0.583 0.031 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG H1 2 8 DC H41 3.900 . 6.000 2.629 2.544 2.690 . 0 0 "[ . 1 . 2]" 2
2 1 2 DG H1 2 8 DC H42 3.900 . 6.000 4.184 4.116 4.242 . 0 0 "[ . 1 . 2]" 2
3 1 3 DG H1 2 6 DC H41 3.900 . 6.000 4.935 3.737 5.384 . 0 0 "[ . 1 . 2]" 2
4 1 3 DG H1 2 7 DC H41 3.900 . 6.000 2.672 2.580 2.733 . 0 0 "[ . 1 . 2]" 2
5 1 3 DG H1 2 7 DC H42 3.900 . 6.000 4.224 4.143 4.277 . 0 0 "[ . 1 . 2]" 2
6 1 4 DG H1 2 6 DC H41 3.900 . 6.000 2.637 2.550 2.710 . 0 0 "[ . 1 . 2]" 2
7 1 4 DG H1 2 6 DC H42 3.900 . 6.000 4.192 4.118 4.260 . 0 0 "[ . 1 . 2]" 2
8 1 4 DG H1 2 7 DC H42 3.900 . 6.000 4.361 3.766 5.504 . 0 0 "[ . 1 . 2]" 2
9 1 5 DC H41 1 5 DC H42 3.900 . 6.000 1.770 1.766 1.771 0.034 13 0 "[ . 1 . 2]" 2
10 1 5 DC H41 2 5 DG H1 3.900 . 6.000 2.609 2.504 2.679 . 0 0 "[ . 1 . 2]" 2
11 1 4 DG H1 1 5 DC H42 3.900 . 6.000 5.095 4.834 5.487 . 0 0 "[ . 1 . 2]" 2
12 1 5 DC H42 1 5 DC H5 3.900 . 6.000 2.427 2.414 2.440 . 0 0 "[ . 1 . 2]" 2
13 1 5 DC H41 1 5 DC H5 3.900 . 6.000 3.676 3.670 3.690 . 0 0 "[ . 1 . 2]" 2
14 1 5 DC H41 1 6 DG H1 3.900 . 6.000 4.373 4.151 4.836 . 0 0 "[ . 1 . 2]" 2
15 1 5 DC H42 1 6 DG H1 3.900 . 6.000 5.708 5.485 6.208 0.208 19 0 "[ . 1 . 2]" 2
16 1 6 DG H1 2 4 DC H41 3.900 . 6.000 2.564 2.421 2.701 . 0 0 "[ . 1 . 2]" 2
17 1 6 DG H1 2 4 DC H42 3.900 . 6.000 4.126 3.996 4.251 . 0 0 "[ . 1 . 2]" 2
18 1 7 DG H1 2 3 DC H41 3.900 . 6.000 2.661 2.509 2.757 . 0 0 "[ . 1 . 2]" 2
19 1 8 DG H1 2 2 DC H41 3.900 . 6.000 2.666 2.507 2.754 . 0 0 "[ . 1 . 2]" 2
20 2 1 DC H42 2 1 DC H5 3.900 . 6.000 2.429 2.414 2.451 . 0 0 "[ . 1 . 2]" 2
21 2 2 DC H41 2 2 DC H42 3.900 . 6.000 1.771 1.768 1.774 0.032 16 0 "[ . 1 . 2]" 2
22 2 2 DC H41 2 2 DC H5 3.900 . 6.000 3.687 3.676 3.705 . 0 0 "[ . 1 . 2]" 2
23 2 2 DC H42 2 2 DC H5 3.900 . 6.000 2.448 2.427 2.473 . 0 0 "[ . 1 . 2]" 2
24 2 3 DC H41 2 3 DC H5 3.900 . 6.000 3.681 3.668 3.694 . 0 0 "[ . 1 . 2]" 2
25 2 3 DC H42 2 3 DC H5 3.900 . 6.000 2.441 2.414 2.463 . 0 0 "[ . 1 . 2]" 2
26 2 4 DC H41 2 4 DC H42 3.900 . 6.000 1.770 1.766 1.772 0.034 5 0 "[ . 1 . 2]" 2
27 2 4 DC H41 2 4 DC H5 3.900 . 6.000 3.680 3.675 3.684 . 0 0 "[ . 1 . 2]" 2
28 1 7 DG H1 2 4 DC H42 3.900 . 6.000 4.410 3.936 5.222 . 0 0 "[ . 1 . 2]" 2
29 2 4 DC H42 2 4 DC H5 3.900 . 6.000 2.431 2.422 2.438 . 0 0 "[ . 1 . 2]" 2
30 1 5 DC H42 2 5 DG H1 3.900 . 6.000 4.167 4.068 4.230 . 0 0 "[ . 1 . 2]" 2
31 2 4 DC H41 2 5 DG H1 3.900 . 6.000 4.481 4.012 4.916 . 0 0 "[ . 1 . 2]" 2
32 2 6 DC H41 2 6 DC H42 3.900 . 6.000 1.770 1.766 1.772 0.034 10 0 "[ . 1 . 2]" 2
33 2 6 DC H41 2 6 DC H5 3.900 . 6.000 3.678 3.668 3.681 . 0 0 "[ . 1 . 2]" 2
34 2 6 DC H42 2 6 DC H5 3.900 . 6.000 2.436 2.419 2.444 . 0 0 "[ . 1 . 2]" 2
35 2 7 DC H41 2 7 DC H42 3.900 . 6.000 1.771 1.769 1.774 0.031 19 0 "[ . 1 . 2]" 2
36 2 7 DC H41 2 7 DC H5 3.900 . 6.000 3.693 3.681 3.704 . 0 0 "[ . 1 . 2]" 2
37 2 7 DC H42 2 7 DC H5 3.900 . 6.000 2.456 2.438 2.471 . 0 0 "[ . 1 . 2]" 2
38 2 8 DC H41 2 8 DC H42 3.900 . 6.000 1.771 1.769 1.773 0.031 7 0 "[ . 1 . 2]" 2
39 2 8 DC H41 2 8 DC H5 3.900 . 6.000 3.682 3.675 3.689 . 0 0 "[ . 1 . 2]" 2
40 2 7 DC H5 2 8 DC H42 3.900 . 6.000 3.973 3.655 4.371 . 0 0 "[ . 1 . 2]" 2
41 2 8 DC H42 2 8 DC H5 3.900 . 6.000 2.438 2.428 2.450 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 . 2]"
2 5 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 DC 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 DG H1' 1 1 DG H2' . . 9.800 3.019 2.710 3.053 . 0 0 "[ . 1 . 2]" 3
2 2 9 DC H1' 2 9 DC H2' . . 7.600 2.854 2.807 2.968 . 0 0 "[ . 1 . 2]" 3
3 2 9 DC H1' 2 9 DC H2'' . . 8.500 2.260 2.247 2.268 . 0 0 "[ . 1 . 2]" 3
4 2 5 DG H1' 2 5 DG H2'' . . 7.200 2.386 2.277 2.413 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 1069
_Distance_constraint_stats_list.Viol_total 2820.559
_Distance_constraint_stats_list.Viol_max 0.276
_Distance_constraint_stats_list.Viol_rms 0.0690
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1306
_Distance_constraint_stats_list.Viol_average_violations_only 0.1319
_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 16.990 0.249 2 0 "[ . 1 . 2]"
1 2 DG 15.610 0.245 7 0 "[ . 1 . 2]"
1 3 DG 15.822 0.249 15 0 "[ . 1 . 2]"
1 4 DG 14.695 0.242 4 0 "[ . 1 . 2]"
1 5 DC 15.234 0.249 13 0 "[ . 1 . 2]"
1 6 DG 14.859 0.230 9 0 "[ . 1 . 2]"
1 7 DG 15.261 0.276 3 0 "[ . 1 . 2]"
1 8 DG 15.682 0.242 8 0 "[ . 1 . 2]"
1 9 DG 16.876 0.267 3 0 "[ . 1 . 2]"
2 1 DC 16.876 0.267 3 0 "[ . 1 . 2]"
2 2 DC 15.682 0.242 8 0 "[ . 1 . 2]"
2 3 DC 15.261 0.276 3 0 "[ . 1 . 2]"
2 4 DC 14.859 0.230 9 0 "[ . 1 . 2]"
2 5 DG 15.234 0.249 13 0 "[ . 1 . 2]"
2 6 DC 14.695 0.242 4 0 "[ . 1 . 2]"
2 7 DC 15.822 0.249 15 0 "[ . 1 . 2]"
2 8 DC 15.610 0.245 7 0 "[ . 1 . 2]"
2 9 DC 16.990 0.249 2 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 DG H21 2 9 DC O2 . . 1.800 1.838 1.827 1.870 0.070 17 0 "[ . 1 . 2]" 4
2 1 1 DG N2 2 9 DC O2 . . 2.700 2.843 2.831 2.871 0.171 17 0 "[ . 1 . 2]" 4
3 1 1 DG H1 2 9 DC N3 . . 1.800 1.943 1.931 1.949 0.149 20 0 "[ . 1 . 2]" 4
4 1 1 DG N1 2 9 DC N3 . . 2.700 2.945 2.937 2.949 0.249 2 0 "[ . 1 . 2]" 4
5 1 1 DG O6 2 9 DC H41 . . 1.800 1.889 1.870 1.915 0.115 12 0 "[ . 1 . 2]" 4
6 1 1 DG O6 2 9 DC N4 . . 2.700 2.892 2.876 2.922 0.222 12 0 "[ . 1 . 2]" 4
7 1 2 DG H21 2 8 DC O2 . . 1.800 1.825 1.802 1.852 0.052 5 0 "[ . 1 . 2]" 4
8 1 2 DG N2 2 8 DC O2 . . 2.700 2.829 2.803 2.859 0.159 5 0 "[ . 1 . 2]" 4
9 1 2 DG H1 2 8 DC N3 . . 1.800 1.931 1.917 1.940 0.140 7 0 "[ . 1 . 2]" 4
10 1 2 DG N1 2 8 DC N3 . . 2.700 2.932 2.919 2.945 0.245 7 0 "[ . 1 . 2]" 4
11 1 2 DG O6 2 8 DC H41 . . 1.800 1.878 1.848 1.912 0.112 19 0 "[ . 1 . 2]" 4
12 1 2 DG O6 2 8 DC N4 . . 2.700 2.886 2.857 2.916 0.216 20 0 "[ . 1 . 2]" 4
13 1 3 DG H21 2 7 DC O2 . . 1.800 1.810 1.795 1.833 0.033 15 0 "[ . 1 . 2]" 4
14 1 3 DG N2 2 7 DC O2 . . 2.700 2.813 2.795 2.835 0.135 15 0 "[ . 1 . 2]" 4
15 1 3 DG H1 2 7 DC N3 . . 1.800 1.934 1.922 1.951 0.151 15 0 "[ . 1 . 2]" 4
16 1 3 DG N1 2 7 DC N3 . . 2.700 2.932 2.918 2.949 0.249 15 0 "[ . 1 . 2]" 4
17 1 3 DG O6 2 7 DC H41 . . 1.800 1.897 1.873 1.922 0.122 9 0 "[ . 1 . 2]" 4
18 1 3 DG O6 2 7 DC N4 . . 2.700 2.904 2.881 2.928 0.228 9 0 "[ . 1 . 2]" 4
19 1 4 DG H21 2 6 DC O2 . . 1.800 1.813 1.789 1.851 0.051 4 0 "[ . 1 . 2]" 4
20 1 4 DG N2 2 6 DC O2 . . 2.700 2.816 2.789 2.855 0.155 4 0 "[ . 1 . 2]" 4
21 1 4 DG H1 2 6 DC N3 . . 1.800 1.922 1.905 1.944 0.144 4 0 "[ . 1 . 2]" 4
22 1 4 DG N1 2 6 DC N3 . . 2.700 2.921 2.904 2.942 0.242 4 0 "[ . 1 . 2]" 4
23 1 4 DG O6 2 6 DC H41 . . 1.800 1.877 1.849 1.892 0.092 10 0 "[ . 1 . 2]" 4
24 1 4 DG O6 2 6 DC N4 . . 2.700 2.885 2.859 2.897 0.197 15 0 "[ . 1 . 2]" 4
25 1 5 DC O2 2 5 DG H21 . . 1.800 1.830 1.804 1.866 0.066 13 0 "[ . 1 . 2]" 4
26 1 5 DC O2 2 5 DG N2 . . 2.700 2.836 2.814 2.876 0.176 13 0 "[ . 1 . 2]" 4
27 1 5 DC N3 2 5 DG H1 . . 1.800 1.927 1.909 1.942 0.142 13 0 "[ . 1 . 2]" 4
28 1 5 DC N3 2 5 DG N1 . . 2.700 2.929 2.916 2.949 0.249 13 0 "[ . 1 . 2]" 4
29 1 5 DC H41 2 5 DG O6 . . 1.800 1.866 1.842 1.881 0.081 19 0 "[ . 1 . 2]" 4
30 1 5 DC N4 2 5 DG O6 . . 2.700 2.874 2.849 2.891 0.191 19 0 "[ . 1 . 2]" 4
31 1 6 DG H21 2 4 DC O2 . . 1.800 1.816 1.799 1.840 0.040 19 0 "[ . 1 . 2]" 4
32 1 6 DG N2 2 4 DC O2 . . 2.700 2.822 2.807 2.839 0.139 19 0 "[ . 1 . 2]" 4
33 1 6 DG H1 2 4 DC N3 . . 1.800 1.917 1.901 1.935 0.135 19 0 "[ . 1 . 2]" 4
34 1 6 DG N1 2 4 DC N3 . . 2.700 2.921 2.905 2.930 0.230 9 0 "[ . 1 . 2]" 4
35 1 6 DG O6 2 4 DC H41 . . 1.800 1.880 1.851 1.906 0.106 11 0 "[ . 1 . 2]" 4
36 1 6 DG O6 2 4 DC N4 . . 2.700 2.887 2.859 2.916 0.216 11 0 "[ . 1 . 2]" 4
37 1 7 DG H21 2 3 DC O2 . . 1.800 1.814 1.792 1.834 0.034 14 0 "[ . 1 . 2]" 4
38 1 7 DG N2 2 3 DC O2 . . 2.700 2.815 2.796 2.842 0.142 14 0 "[ . 1 . 2]" 4
39 1 7 DG H1 2 3 DC N3 . . 1.800 1.923 1.911 1.947 0.147 11 0 "[ . 1 . 2]" 4
40 1 7 DG N1 2 3 DC N3 . . 2.700 2.920 2.909 2.933 0.233 11 0 "[ . 1 . 2]" 4
41 1 7 DG O6 2 3 DC H41 . . 1.800 1.892 1.855 1.969 0.169 3 0 "[ . 1 . 2]" 4
42 1 7 DG O6 2 3 DC N4 . . 2.700 2.898 2.864 2.976 0.276 3 0 "[ . 1 . 2]" 4
43 1 8 DG H21 2 2 DC O2 . . 1.800 1.820 1.794 1.853 0.053 2 0 "[ . 1 . 2]" 4
44 1 8 DG N2 2 2 DC O2 . . 2.700 2.822 2.797 2.862 0.162 2 0 "[ . 1 . 2]" 4
45 1 8 DG H1 2 2 DC N3 . . 1.800 1.930 1.916 1.946 0.146 14 0 "[ . 1 . 2]" 4
46 1 8 DG N1 2 2 DC N3 . . 2.700 2.926 2.916 2.940 0.240 3 0 "[ . 1 . 2]" 4
47 1 8 DG O6 2 2 DC H41 . . 1.800 1.890 1.858 1.935 0.135 8 0 "[ . 1 . 2]" 4
48 1 8 DG O6 2 2 DC N4 . . 2.700 2.896 2.867 2.942 0.242 8 0 "[ . 1 . 2]" 4
49 1 9 DG H21 2 1 DC O2 . . 1.800 1.840 1.825 1.856 0.056 8 0 "[ . 1 . 2]" 4
50 1 9 DG N2 2 1 DC O2 . . 2.700 2.846 2.824 2.865 0.165 8 0 "[ . 1 . 2]" 4
51 1 9 DG H1 2 1 DC N3 . . 1.800 1.935 1.915 1.948 0.148 2 0 "[ . 1 . 2]" 4
52 1 9 DG N1 2 1 DC N3 . . 2.700 2.937 2.918 2.949 0.249 2 0 "[ . 1 . 2]" 4
53 1 9 DG O6 2 1 DC H41 . . 1.800 1.889 1.858 1.963 0.163 3 0 "[ . 1 . 2]" 4
54 1 9 DG O6 2 1 DC N4 . . 2.700 2.896 2.867 2.967 0.267 3 0 "[ . 1 . 2]" 4
stop_
save_
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