NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652488 |
7cv4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7cv4
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 520
_Distance_constraint_stats_list.Viol_count 555
_Distance_constraint_stats_list.Viol_total 477.836
_Distance_constraint_stats_list.Viol_max 0.372
_Distance_constraint_stats_list.Viol_rms 0.0310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0861
_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 3.106 0.186 9 0 "[ . 1]"
1 2 DG 1.140 0.108 7 0 "[ . 1]"
1 3 DG 2.674 0.211 6 0 "[ . 1]"
1 4 DA 1.173 0.107 6 0 "[ . 1]"
1 5 DG 2.709 0.193 1 0 "[ . 1]"
1 6 DG 2.472 0.193 1 0 "[ . 1]"
1 7 DG 1.767 0.128 5 0 "[ . 1]"
1 8 DC 2.223 0.128 5 0 "[ . 1]"
1 9 DG 2.356 0.107 6 0 "[ . 1]"
1 10 DC 3.525 0.187 4 0 "[ . 1]"
1 11 DG 3.573 0.191 1 0 "[ . 1]"
1 12 DC 3.420 0.191 1 0 "[ . 1]"
1 13 DC 2.069 0.173 2 0 "[ . 1]"
1 14 DA 4.328 0.202 9 0 "[ . 1]"
1 15 DG 4.609 0.202 9 0 "[ . 1]"
1 16 DC 2.808 0.151 3 0 "[ . 1]"
1 17 DG 2.960 0.184 9 0 "[ . 1]"
1 18 DG 1.061 0.107 5 0 "[ . 1]"
1 19 DG 2.098 0.145 7 0 "[ . 1]"
1 20 DG 1.556 0.106 10 0 "[ . 1]"
1 21 DT 1.478 0.106 4 0 "[ . 1]"
1 22 DC 1.412 0.137 8 0 "[ . 1]"
1 23 DG 5.449 0.372 2 0 "[ . 1]"
1 24 DG 3.006 0.372 2 0 "[ . 1]"
1 25 DG 1.062 0.106 1 0 "[ . 1]"
1 26 DC 0.091 0.042 6 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 H2' 1 2 DG H1 4.800 3.400 6.200 4.043 3.954 4.298 . 0 0 "[ . 1]" 1
2 1 1 DG H2'' 1 2 DG H1 4.800 3.400 6.200 4.696 4.388 5.354 . 0 0 "[ . 1]" 1
3 1 1 DG H8 1 2 DG H1 4.000 3.000 5.000 4.252 4.034 5.056 0.056 10 0 "[ . 1]" 1
4 1 2 DG H1 1 6 DG H1 4.000 3.000 5.000 4.088 3.765 4.516 . 0 0 "[ . 1]" 1
5 1 1 DG H1 1 2 DG H8 4.800 3.400 6.200 5.100 4.695 6.166 . 0 0 "[ . 1]" 1
6 1 2 DG H8 1 25 DG H1 4.800 3.400 6.200 4.798 4.371 5.295 . 0 0 "[ . 1]" 1
7 1 3 DG H8 1 6 DG H1 4.800 3.400 6.200 4.660 4.148 5.302 . 0 0 "[ . 1]" 1
8 1 5 DG H2' 1 6 DG H1 4.800 3.400 6.200 4.741 3.682 5.521 . 0 0 "[ . 1]" 1
9 1 5 DG H2'' 1 6 DG H1 4.800 3.400 6.200 4.073 3.476 4.818 . 0 0 "[ . 1]" 1
10 1 5 DG H8 1 6 DG H1 4.800 3.400 6.200 5.088 3.559 6.075 . 0 0 "[ . 1]" 1
11 1 6 DG H8 1 19 DG H1 4.800 3.400 6.200 5.490 4.830 6.138 . 0 0 "[ . 1]" 1
12 1 7 DG H1 1 17 DG H1 4.800 3.400 6.200 3.862 3.759 4.085 . 0 0 "[ . 1]" 1
13 1 7 DG H1 1 19 DG H1 4.000 3.000 5.000 3.879 3.637 4.151 . 0 0 "[ . 1]" 1
14 1 2 DG H1 1 7 DG H8 4.800 3.400 6.200 4.913 4.368 5.233 . 0 0 "[ . 1]" 1
15 1 7 DG H1 1 8 DC H41 4.800 3.400 6.200 3.926 3.611 4.138 . 0 0 "[ . 1]" 1
16 1 8 DC H41 1 9 DG H1 4.800 3.400 6.200 4.364 4.001 4.875 . 0 0 "[ . 1]" 1
17 1 8 DC H41 1 17 DG H1 3.300 2.400 4.200 2.534 2.305 2.724 0.095 7 0 "[ . 1]" 1
18 1 7 DG H1 1 8 DC H42 4.800 3.400 6.200 4.749 4.383 5.019 . 0 0 "[ . 1]" 1
19 1 8 DC H42 1 9 DG H1 4.800 3.400 6.200 5.622 5.060 6.231 0.031 5 0 "[ . 1]" 1
20 1 8 DC H42 1 17 DG H1 3.300 2.400 4.200 4.073 3.855 4.234 0.034 2 0 "[ . 1]" 1
21 1 8 DC H5 1 17 DG H1 4.800 3.400 6.200 5.128 4.972 5.209 . 0 0 "[ . 1]" 1
22 1 9 DG H1 1 17 DG H1 4.800 3.400 6.200 3.814 3.634 4.064 . 0 0 "[ . 1]" 1
23 1 9 DG H1 1 10 DC H41 5.500 3.800 7.200 4.400 3.771 4.876 0.029 1 0 "[ . 1]" 1
24 1 10 DC H41 1 15 DG H1 3.300 2.400 4.200 2.761 2.579 2.897 . 0 0 "[ . 1]" 1
25 1 10 DC H42 1 15 DG H1 3.300 2.400 4.200 4.248 4.056 4.329 0.129 8 0 "[ . 1]" 1
26 1 10 DC H5 1 15 DG H1 4.800 3.400 6.200 5.200 5.046 5.262 . 0 0 "[ . 1]" 1
27 1 9 DG H1 1 15 DG H1 4.800 3.400 6.200 4.224 3.845 5.149 . 0 0 "[ . 1]" 1
28 1 1 DG H1 1 16 DC H2' 4.800 3.400 6.200 5.105 4.911 5.276 . 0 0 "[ . 1]" 1
29 1 1 DG H1 1 16 DC H2'' 4.800 3.400 6.200 6.164 6.003 6.248 0.048 8 0 "[ . 1]" 1
30 1 9 DG H1 1 16 DC H41 3.300 2.400 4.200 2.475 2.358 2.821 0.042 3 0 "[ . 1]" 1
31 1 15 DG H1 1 16 DC H41 4.800 3.400 6.200 4.649 3.984 5.289 . 0 0 "[ . 1]" 1
32 1 16 DC H41 1 17 DG H1 4.800 3.400 6.200 4.992 4.841 5.136 . 0 0 "[ . 1]" 1
33 1 9 DG H1 1 16 DC H42 3.300 2.400 4.200 3.956 3.817 4.237 0.037 9 0 "[ . 1]" 1
34 1 15 DG H1 1 16 DC H42 4.800 3.400 6.200 5.427 4.818 5.666 . 0 0 "[ . 1]" 1
35 1 16 DC H42 1 17 DG H1 4.800 3.400 6.200 6.279 6.216 6.351 0.151 3 0 "[ . 1]" 1
36 1 9 DG H1 1 16 DC H5 4.800 3.400 6.200 4.961 4.816 5.117 . 0 0 "[ . 1]" 1
37 1 1 DG H1 1 16 DC H6 4.800 3.400 6.200 4.789 4.510 5.099 . 0 0 "[ . 1]" 1
38 1 17 DG H2' 1 18 DG H1 4.800 3.400 6.200 4.122 3.969 4.560 . 0 0 "[ . 1]" 1
39 1 17 DG H2'' 1 18 DG H1 4.800 3.400 6.200 4.560 4.353 5.812 . 0 0 "[ . 1]" 1
40 1 17 DG H8 1 18 DG H1 4.000 3.000 5.000 4.157 3.998 4.552 . 0 0 "[ . 1]" 1
41 1 18 DG H1 1 24 DG H1 4.000 3.000 5.000 4.139 3.975 4.377 . 0 0 "[ . 1]" 1
42 1 7 DG H1 1 18 DG H8 4.800 3.400 6.200 4.682 4.132 5.223 . 0 0 "[ . 1]" 1
43 1 17 DG H1 1 18 DG H8 4.800 3.400 6.200 5.133 4.717 5.722 . 0 0 "[ . 1]" 1
44 1 19 DG H8 1 24 DG H1 4.800 3.400 6.200 4.784 4.225 5.258 . 0 0 "[ . 1]" 1
45 1 23 DG H2' 1 24 DG H1 4.800 3.400 6.200 4.554 3.465 5.883 . 0 0 "[ . 1]" 1
46 1 23 DG H2'' 1 24 DG H1 4.800 3.400 6.200 4.829 3.772 6.572 0.372 2 0 "[ . 1]" 1
47 1 3 DG H1 1 23 DG H8 4.000 3.000 5.000 5.122 4.955 5.211 0.211 6 0 "[ . 1]" 1
48 1 23 DG H8 1 24 DG H1 4.000 3.000 5.000 4.087 2.929 5.152 0.152 2 0 "[ . 1]" 1
49 1 3 DG H1 1 24 DG H8 4.800 3.400 6.200 5.367 4.769 5.960 . 0 0 "[ . 1]" 1
50 1 1 DG H1 1 25 DG H1 4.800 3.400 6.200 4.027 3.761 4.548 . 0 0 "[ . 1]" 1
51 1 18 DG H1 1 25 DG H8 4.800 3.400 6.200 5.226 4.695 5.618 . 0 0 "[ . 1]" 1
52 1 1 DG H1 1 26 DC H41 3.300 2.400 4.200 2.644 2.443 2.739 . 0 0 "[ . 1]" 1
53 1 18 DG H1 1 26 DC H41 5.500 3.800 7.200 4.863 4.662 5.131 . 0 0 "[ . 1]" 1
54 1 25 DG H1 1 26 DC H41 4.800 3.400 6.200 3.951 3.722 4.346 . 0 0 "[ . 1]" 1
55 1 1 DG H1 1 26 DC H42 3.300 2.400 4.200 4.165 3.966 4.242 0.042 6 0 "[ . 1]" 1
56 1 18 DG H1 1 26 DC H42 5.500 3.800 7.200 4.595 4.314 4.942 . 0 0 "[ . 1]" 1
57 1 25 DG H1 1 26 DC H42 4.800 3.400 6.200 4.674 4.390 4.875 . 0 0 "[ . 1]" 1
58 1 1 DG H1 1 26 DC H5 4.800 3.400 6.200 5.172 5.008 5.243 . 0 0 "[ . 1]" 1
59 1 2 DG H8 1 3 DG H8 5.500 3.800 7.200 4.637 4.248 4.915 . 0 0 "[ . 1]" 1
60 1 3 DG H8 1 5 DG H8 5.500 3.800 7.200 4.190 3.768 5.552 0.032 4 0 "[ . 1]" 1
61 1 4 DA H8 1 5 DG H8 5.500 3.800 7.200 5.162 4.103 6.467 . 0 0 "[ . 1]" 1
62 1 6 DG H8 1 7 DG H8 5.500 3.800 7.200 4.707 4.364 4.962 . 0 0 "[ . 1]" 1
63 1 7 DG H8 1 8 DC H5 3.800 2.900 4.700 4.414 4.208 4.683 . 0 0 "[ . 1]" 1
64 1 8 DC H5 1 8 DC H6 2.700 . 3.500 2.450 2.449 2.452 . 0 0 "[ . 1]" 1
65 1 7 DG H8 1 8 DC H6 5.500 3.800 7.200 5.674 5.394 5.990 . 0 0 "[ . 1]" 1
66 1 8 DC H6 1 9 DG H8 5.500 3.800 7.200 4.753 4.579 5.135 . 0 0 "[ . 1]" 1
67 1 9 DG H8 1 10 DC H5 3.800 2.900 4.700 4.621 4.353 4.768 0.068 3 0 "[ . 1]" 1
68 1 10 DC H5 1 10 DC H6 2.700 . 3.500 2.450 2.447 2.451 . 0 0 "[ . 1]" 1
69 1 9 DG H8 1 10 DC H6 5.500 3.800 7.200 5.417 4.886 5.732 . 0 0 "[ . 1]" 1
70 1 10 DC H6 1 11 DG H8 3.800 2.900 4.700 4.707 4.299 4.887 0.187 4 0 "[ . 1]" 1
71 1 11 DG H8 1 12 DC H5 5.500 3.800 7.200 5.929 4.023 6.997 . 0 0 "[ . 1]" 1
72 1 12 DC H5 1 12 DC H6 2.700 . 3.500 2.449 2.439 2.452 . 0 0 "[ . 1]" 1
73 1 11 DG H8 1 12 DC H6 5.500 3.800 7.200 6.277 5.089 6.961 . 0 0 "[ . 1]" 1
74 1 11 DG H8 1 13 DC H5 5.500 3.800 7.200 6.980 6.355 7.337 0.137 3 0 "[ . 1]" 1
75 1 13 DC H5 1 13 DC H6 2.700 . 3.500 2.451 2.450 2.453 . 0 0 "[ . 1]" 1
76 1 14 DA H8 1 15 DG H8 3.800 2.900 4.700 4.448 3.837 4.778 0.078 10 0 "[ . 1]" 1
77 1 1 DG H8 1 16 DC H5 5.500 3.800 7.200 7.102 6.754 7.252 0.052 10 0 "[ . 1]" 1
78 1 15 DG H8 1 16 DC H5 5.500 3.800 7.200 5.352 4.600 6.003 . 0 0 "[ . 1]" 1
79 1 16 DC H5 1 16 DC H6 2.700 . 3.500 2.451 2.449 2.452 . 0 0 "[ . 1]" 1
80 1 15 DG H8 1 16 DC H6 5.500 3.800 7.200 5.823 5.335 6.250 . 0 0 "[ . 1]" 1
81 1 16 DC H6 1 17 DG H8 5.500 3.800 7.200 5.309 5.050 6.027 . 0 0 "[ . 1]" 1
82 1 18 DG H8 1 19 DG H8 5.500 3.800 7.200 4.904 4.772 5.066 . 0 0 "[ . 1]" 1
83 1 20 DG H8 1 21 DT H6 5.500 3.800 7.200 4.943 3.974 5.401 . 0 0 "[ . 1]" 1
84 1 22 DC H5 1 22 DC H6 2.700 . 3.500 2.450 2.447 2.451 . 0 0 "[ . 1]" 1
85 1 22 DC H6 1 23 DG H8 5.500 3.800 7.200 5.869 3.956 6.985 . 0 0 "[ . 1]" 1
86 1 23 DG H8 1 24 DG H8 5.500 3.800 7.200 5.493 4.123 6.513 . 0 0 "[ . 1]" 1
87 1 24 DG H8 1 25 DG H8 5.500 3.800 7.200 4.809 4.408 5.019 . 0 0 "[ . 1]" 1
88 1 25 DG H8 1 26 DC H5 3.800 2.900 4.700 4.414 4.270 4.622 . 0 0 "[ . 1]" 1
89 1 26 DC H5 1 26 DC H6 2.700 . 3.500 2.450 2.450 2.451 . 0 0 "[ . 1]" 1
90 1 25 DG H8 1 26 DC H6 5.500 3.800 7.200 5.741 5.600 5.934 . 0 0 "[ . 1]" 1
91 1 1 DG H1' 1 1 DG H8 3.800 2.900 4.700 3.884 3.727 3.904 . 0 0 "[ . 1]" 1
92 1 2 DG H1' 1 2 DG H8 2.700 . 3.500 2.611 2.592 2.728 . 0 0 "[ . 1]" 1
93 1 2 DG H1' 1 3 DG H8 3.800 2.900 4.700 4.202 3.628 4.720 0.020 7 0 "[ . 1]" 1
94 1 2 DG H8 1 3 DG H1' 3.800 2.900 4.700 3.709 3.027 4.328 . 0 0 "[ . 1]" 1
95 1 3 DG H1' 1 3 DG H8 3.800 2.900 4.700 3.829 3.767 3.875 . 0 0 "[ . 1]" 1
96 1 4 DA H1' 1 4 DA H8 3.800 2.900 4.700 3.901 3.894 3.915 . 0 0 "[ . 1]" 1
97 1 4 DA H1' 1 5 DG H8 5.500 3.800 7.200 5.720 5.062 6.607 . 0 0 "[ . 1]" 1
98 1 5 DG H1' 1 5 DG H8 3.800 2.900 4.700 3.862 3.703 3.917 . 0 0 "[ . 1]" 1
99 1 6 DG H1' 1 6 DG H8 2.700 . 3.500 2.595 2.581 2.629 . 0 0 "[ . 1]" 1
100 1 6 DG H1' 1 7 DG H8 3.800 2.900 4.700 4.228 3.950 4.418 . 0 0 "[ . 1]" 1
101 1 6 DG H8 1 7 DG H1' 3.800 2.900 4.700 4.152 3.806 4.706 0.006 7 0 "[ . 1]" 1
102 1 7 DG H1' 1 7 DG H8 3.800 2.900 4.700 3.907 3.895 3.918 . 0 0 "[ . 1]" 1
103 1 7 DG H1' 1 8 DC H6 3.800 2.900 4.700 3.628 3.447 3.852 . 0 0 "[ . 1]" 1
104 1 8 DC H1' 1 8 DC H6 3.800 2.900 4.700 3.724 3.683 3.733 . 0 0 "[ . 1]" 1
105 1 8 DC H1' 1 9 DG H8 3.800 2.900 4.700 3.535 3.163 4.049 . 0 0 "[ . 1]" 1
106 1 7 DG H1' 1 8 DC H5 3.800 2.900 4.700 4.269 3.993 4.675 . 0 0 "[ . 1]" 1
107 1 9 DG H1' 1 9 DG H8 3.800 2.900 4.700 3.904 3.835 3.918 . 0 0 "[ . 1]" 1
108 1 9 DG H1' 1 10 DC H6 3.800 2.900 4.700 3.779 3.062 4.254 . 0 0 "[ . 1]" 1
109 1 10 DC H1' 1 10 DC H6 3.800 2.900 4.700 3.728 3.713 3.733 . 0 0 "[ . 1]" 1
110 1 10 DC H1' 1 11 DG H8 5.500 3.800 7.200 5.722 4.813 6.571 . 0 0 "[ . 1]" 1
111 1 9 DG H1' 1 10 DC H5 5.500 3.800 7.200 4.904 4.669 5.181 . 0 0 "[ . 1]" 1
112 1 11 DG H1' 1 11 DG H8 3.800 2.900 4.700 3.902 3.869 3.920 . 0 0 "[ . 1]" 1
113 1 11 DG H1' 1 12 DC H6 3.800 2.900 4.700 3.622 3.209 3.977 . 0 0 "[ . 1]" 1
114 1 11 DG H1' 1 13 DC H5 5.500 3.800 7.200 4.819 3.838 6.452 . 0 0 "[ . 1]" 1
115 1 12 DC H1' 1 12 DC H6 3.800 2.900 4.700 3.713 3.659 3.733 . 0 0 "[ . 1]" 1
116 1 12 DC H1' 1 14 DA H8 5.500 3.800 7.200 6.351 5.034 7.239 0.039 8 0 "[ . 1]" 1
117 1 11 DG H1' 1 12 DC H5 3.800 2.900 4.700 4.649 4.191 4.801 0.101 9 0 "[ . 1]" 1
118 1 13 DC H1' 1 13 DC H6 3.800 2.900 4.700 3.618 3.512 3.731 . 0 0 "[ . 1]" 1
119 1 14 DA H1' 1 14 DA H8 3.800 2.900 4.700 3.870 3.787 3.921 . 0 0 "[ . 1]" 1
120 1 14 DA H1' 1 15 DG H8 3.800 2.900 4.700 3.645 2.716 4.902 0.202 9 0 "[ . 1]" 1
121 1 15 DG H1' 1 15 DG H8 3.800 2.900 4.700 3.890 3.848 3.920 . 0 0 "[ . 1]" 1
122 1 15 DG H1' 1 16 DC H6 3.800 2.900 4.700 4.369 3.757 4.726 0.026 8 0 "[ . 1]" 1
123 1 16 DC H1' 1 16 DC H6 3.800 2.900 4.700 3.730 3.702 3.745 . 0 0 "[ . 1]" 1
124 1 16 DC H1' 1 17 DG H8 3.800 2.900 4.700 3.529 2.951 3.917 . 0 0 "[ . 1]" 1
125 1 15 DG H1' 1 16 DC H5 5.500 3.800 7.200 5.594 4.914 5.956 . 0 0 "[ . 1]" 1
126 1 17 DG H1' 1 17 DG H8 3.800 2.900 4.700 3.901 3.867 3.908 . 0 0 "[ . 1]" 1
127 1 18 DG H1' 1 18 DG H8 2.700 . 3.500 2.593 2.588 2.601 . 0 0 "[ . 1]" 1
128 1 18 DG H1' 1 19 DG H8 3.800 2.900 4.700 4.265 4.072 4.390 . 0 0 "[ . 1]" 1
129 1 18 DG H8 1 19 DG H1' 3.800 2.900 4.700 4.005 3.375 4.258 . 0 0 "[ . 1]" 1
130 1 19 DG H1' 1 19 DG H8 3.800 2.900 4.700 3.897 3.848 3.910 . 0 0 "[ . 1]" 1
131 1 20 DG H1' 1 20 DG H8 3.800 2.900 4.700 3.840 3.574 3.909 . 0 0 "[ . 1]" 1
132 1 20 DG H1' 1 21 DT H6 3.800 2.900 4.700 4.266 2.948 4.727 0.027 4 0 "[ . 1]" 1
133 1 21 DT H1' 1 21 DT H6 3.800 2.900 4.700 3.731 3.723 3.735 . 0 0 "[ . 1]" 1
134 1 22 DC H1' 1 22 DC H6 3.800 2.900 4.700 3.688 3.268 3.736 . 0 0 "[ . 1]" 1
135 1 22 DC H1' 1 23 DG H8 5.500 3.800 7.200 6.436 5.508 6.988 . 0 0 "[ . 1]" 1
136 1 23 DG H1' 1 23 DG H8 3.800 2.900 4.700 3.488 2.688 3.928 0.212 6 0 "[ . 1]" 1
137 1 24 DG H1' 1 24 DG H8 2.700 . 3.500 2.609 2.572 2.684 . 0 0 "[ . 1]" 1
138 1 24 DG H1' 1 25 DG H8 3.800 2.900 4.700 4.285 4.099 4.569 . 0 0 "[ . 1]" 1
139 1 24 DG H8 1 25 DG H1' 3.800 2.900 4.700 4.439 3.996 4.708 0.008 2 0 "[ . 1]" 1
140 1 25 DG H1' 1 25 DG H8 3.800 2.900 4.700 3.915 3.912 3.918 . 0 0 "[ . 1]" 1
141 1 25 DG H1' 1 26 DC H5 3.800 2.900 4.700 4.065 3.822 4.581 . 0 0 "[ . 1]" 1
142 1 25 DG H1' 1 26 DC H6 3.800 2.900 4.700 3.491 3.244 3.935 . 0 0 "[ . 1]" 1
143 1 26 DC H1' 1 26 DC H6 3.800 2.900 4.700 3.731 3.685 3.737 . 0 0 "[ . 1]" 1
144 1 1 DG H3' 1 1 DG H8 3.800 2.900 4.700 4.056 3.591 4.268 . 0 0 "[ . 1]" 1
145 1 2 DG H3' 1 2 DG H8 5.500 3.800 7.200 6.004 5.758 6.161 . 0 0 "[ . 1]" 1
146 1 2 DG H3' 1 3 DG H8 3.800 2.900 4.700 4.150 3.614 4.700 . 0 0 "[ . 1]" 1
147 1 3 DG H3' 1 3 DG H8 3.800 2.900 4.700 3.065 2.883 3.241 0.017 9 0 "[ . 1]" 1
148 1 4 DA H3' 1 4 DA H8 3.800 2.900 4.700 4.288 3.928 4.509 . 0 0 "[ . 1]" 1
149 1 4 DA H3' 1 5 DG H8 2.700 . 3.500 2.730 2.242 3.541 0.041 3 0 "[ . 1]" 1
150 1 5 DG H3' 1 5 DG H8 3.800 2.900 4.700 4.069 3.484 4.531 . 0 0 "[ . 1]" 1
151 1 6 DG H3' 1 6 DG H8 5.500 3.800 7.200 6.024 5.912 6.115 . 0 0 "[ . 1]" 1
152 1 6 DG H3' 1 7 DG H8 3.800 2.900 4.700 4.235 3.788 4.759 0.059 1 0 "[ . 1]" 1
153 1 6 DG H8 1 7 DG H3' 5.500 3.800 7.200 6.490 6.195 6.663 . 0 0 "[ . 1]" 1
154 1 7 DG H3' 1 7 DG H8 3.800 2.900 4.700 4.355 4.280 4.464 . 0 0 "[ . 1]" 1
155 1 7 DG H3' 1 8 DC H5 5.500 3.800 7.200 5.168 4.977 5.446 . 0 0 "[ . 1]" 1
156 1 7 DG H3' 1 8 DC H6 3.800 2.900 4.700 4.741 4.505 4.828 0.128 5 0 "[ . 1]" 1
157 1 8 DC H3' 1 8 DC H5 5.500 3.800 7.200 6.432 6.204 6.600 . 0 0 "[ . 1]" 1
158 1 8 DC H3' 1 8 DC H6 3.800 2.900 4.700 4.047 3.785 4.321 . 0 0 "[ . 1]" 1
159 1 8 DC H3' 1 9 DG H8 3.800 2.900 4.700 4.687 4.421 4.750 0.050 9 0 "[ . 1]" 1
160 1 9 DG H3' 1 9 DG H8 3.800 2.900 4.700 4.466 4.374 4.729 0.029 3 0 "[ . 1]" 1
161 1 9 DG H3' 1 10 DC H5 5.500 3.800 7.200 5.851 4.980 6.105 . 0 0 "[ . 1]" 1
162 1 9 DG H3' 1 10 DC H6 5.500 3.800 7.200 5.061 4.306 5.526 . 0 0 "[ . 1]" 1
163 1 10 DC H3' 1 10 DC H6 3.800 2.900 4.700 4.069 3.899 4.300 . 0 0 "[ . 1]" 1
164 1 10 DC H3' 1 11 DG H8 3.800 2.900 4.700 3.984 3.017 4.783 0.083 3 0 "[ . 1]" 1
165 1 11 DG H3' 1 11 DG H8 3.800 2.900 4.700 4.407 4.272 4.586 . 0 0 "[ . 1]" 1
166 1 11 DG H3' 1 12 DC H5 5.500 3.800 7.200 5.317 4.168 6.488 . 0 0 "[ . 1]" 1
167 1 11 DG H3' 1 12 DC H6 5.500 3.800 7.200 4.690 4.019 5.650 . 0 0 "[ . 1]" 1
168 1 12 DC H3' 1 12 DC H5 5.500 3.800 7.200 6.485 6.160 6.777 . 0 0 "[ . 1]" 1
169 1 12 DC H3' 1 12 DC H6 3.800 2.900 4.700 4.118 3.761 4.504 . 0 0 "[ . 1]" 1
170 1 12 DC H3' 1 13 DC H5 5.500 3.800 7.200 5.808 5.199 6.684 . 0 0 "[ . 1]" 1
171 1 12 DC H3' 1 13 DC H6 3.800 2.900 4.700 4.716 4.273 4.873 0.173 2 0 "[ . 1]" 1
172 1 13 DC H3' 1 13 DC H6 3.800 2.900 4.700 4.400 3.696 4.696 . 0 0 "[ . 1]" 1
173 1 13 DC H3' 1 14 DA H8 5.500 3.800 7.200 4.996 4.221 5.664 . 0 0 "[ . 1]" 1
174 1 14 DA H3' 1 14 DA H8 3.800 2.900 4.700 4.500 4.196 4.746 0.046 5 0 "[ . 1]" 1
175 1 14 DA H3' 1 15 DG H8 3.800 2.900 4.700 4.466 3.696 4.863 0.163 8 0 "[ . 1]" 1
176 1 15 DG H3' 1 15 DG H8 3.800 2.900 4.700 4.530 4.347 4.735 0.035 2 0 "[ . 1]" 1
177 1 15 DG H3' 1 16 DC H6 5.500 3.800 7.200 5.299 4.872 5.695 . 0 0 "[ . 1]" 1
178 1 16 DC H3' 1 16 DC H6 3.800 2.900 4.700 4.001 3.910 4.266 . 0 0 "[ . 1]" 1
179 1 17 DG H3' 1 17 DG H8 3.800 2.900 4.700 4.031 2.842 4.259 0.058 7 0 "[ . 1]" 1
180 1 18 DG H3' 1 18 DG H8 5.500 3.800 7.200 6.042 6.004 6.153 . 0 0 "[ . 1]" 1
181 1 18 DG H3' 1 19 DG H8 3.800 2.900 4.700 4.034 3.793 4.382 . 0 0 "[ . 1]" 1
182 1 19 DG H3' 1 19 DG H8 3.800 2.900 4.700 4.456 4.347 4.687 . 0 0 "[ . 1]" 1
183 1 20 DG H3' 1 20 DG H8 3.800 2.900 4.700 4.322 4.180 4.500 . 0 0 "[ . 1]" 1
184 1 20 DG H3' 1 21 DT H6 5.500 3.800 7.200 5.471 4.649 6.142 . 0 0 "[ . 1]" 1
185 1 21 DT H3' 1 21 DT H6 3.800 2.900 4.700 3.981 3.853 4.191 . 0 0 "[ . 1]" 1
186 1 22 DC H3' 1 22 DC H6 5.500 3.800 7.200 4.020 3.725 4.432 0.075 10 0 "[ . 1]" 1
187 1 22 DC H3' 1 23 DG H8 3.800 2.900 4.700 4.209 3.280 4.695 . 0 0 "[ . 1]" 1
188 1 23 DG H3' 1 23 DG H8 5.500 3.800 7.200 4.716 3.911 5.866 . 0 0 "[ . 1]" 1
189 1 24 DG H3' 1 24 DG H8 5.500 3.800 7.200 6.023 5.843 6.121 . 0 0 "[ . 1]" 1
190 1 24 DG H3' 1 25 DG H8 3.800 2.900 4.700 4.191 3.693 4.617 . 0 0 "[ . 1]" 1
191 1 24 DG H8 1 25 DG H3' 5.500 3.800 7.200 6.460 6.304 6.641 . 0 0 "[ . 1]" 1
192 1 25 DG H3' 1 25 DG H8 3.800 2.900 4.700 4.382 4.359 4.441 . 0 0 "[ . 1]" 1
193 1 25 DG H3' 1 26 DC H5 5.500 3.800 7.200 5.259 5.059 5.679 . 0 0 "[ . 1]" 1
194 1 25 DG H3' 1 26 DC H6 5.500 3.800 7.200 4.877 4.765 5.279 . 0 0 "[ . 1]" 1
195 1 26 DC H3' 1 26 DC H5 5.500 3.800 7.200 6.539 6.507 6.657 . 0 0 "[ . 1]" 1
196 1 26 DC H3' 1 26 DC H6 3.800 2.900 4.700 4.142 4.099 4.365 . 0 0 "[ . 1]" 1
197 1 1 DG H4' 1 1 DG H8 3.800 2.900 4.700 4.832 4.593 4.886 0.186 9 0 "[ . 1]" 1
198 1 2 DG H4' 1 2 DG H8 5.500 3.800 7.200 5.325 5.249 5.558 . 0 0 "[ . 1]" 1
199 1 2 DG H4' 1 3 DG H8 5.500 3.800 7.200 5.818 5.569 6.107 . 0 0 "[ . 1]" 1
200 1 2 DG H8 1 3 DG H4' 5.500 3.800 7.200 5.133 4.800 5.437 . 0 0 "[ . 1]" 1
201 1 3 DG H4' 1 3 DG H8 5.500 3.800 7.200 4.379 4.167 4.580 . 0 0 "[ . 1]" 1
202 1 4 DA H4' 1 4 DA H8 5.500 3.800 7.200 5.085 4.806 5.153 . 0 0 "[ . 1]" 1
203 1 4 DA H4' 1 5 DG H8 5.500 3.800 7.200 5.177 3.907 6.283 . 0 0 "[ . 1]" 1
204 1 5 DG H4' 1 5 DG H8 5.500 3.800 7.200 5.188 4.911 5.519 . 0 0 "[ . 1]" 1
205 1 5 DG H4' 1 6 DG H8 5.500 3.800 7.200 7.334 7.248 7.393 0.193 1 0 "[ . 1]" 1
206 1 6 DG H4' 1 6 DG H8 5.500 3.800 7.200 5.280 5.150 5.425 . 0 0 "[ . 1]" 1
207 1 6 DG H4' 1 7 DG H8 5.500 3.800 7.200 5.878 5.746 6.055 . 0 0 "[ . 1]" 1
208 1 6 DG H8 1 7 DG H4' 5.500 3.800 7.200 4.444 4.098 4.644 . 0 0 "[ . 1]" 1
209 1 7 DG H4' 1 7 DG H8 5.500 3.800 7.200 4.836 4.782 4.930 . 0 0 "[ . 1]" 1
210 1 7 DG H4' 1 8 DC H5 5.500 3.800 7.200 6.482 6.259 6.779 . 0 0 "[ . 1]" 1
211 1 7 DG H4' 1 8 DC H6 5.500 3.800 7.200 5.682 5.549 5.799 . 0 0 "[ . 1]" 1
212 1 8 DC H4' 1 8 DC H6 3.800 2.900 4.700 4.455 4.086 4.637 . 0 0 "[ . 1]" 1
213 1 9 DG H4' 1 9 DG H8 5.500 3.800 7.200 4.785 4.363 4.888 . 0 0 "[ . 1]" 1
214 1 10 DC H4' 1 10 DC H6 5.500 3.800 7.200 4.586 4.337 4.677 . 0 0 "[ . 1]" 1
215 1 10 DC H4' 1 11 DG H8 5.500 3.800 7.200 6.455 5.384 7.267 0.067 1 0 "[ . 1]" 1
216 1 11 DG H4' 1 11 DG H8 5.500 3.800 7.200 5.014 4.745 5.283 . 0 0 "[ . 1]" 1
217 1 12 DC H4' 1 12 DC H6 5.500 3.800 7.200 4.453 4.250 4.621 . 0 0 "[ . 1]" 1
218 1 13 DC H4' 1 13 DC H6 5.500 3.800 7.200 4.310 4.209 4.633 . 0 0 "[ . 1]" 1
219 1 13 DC H4' 1 14 DA H8 2.700 . 3.500 3.137 2.195 3.558 0.058 3 0 "[ . 1]" 1
220 1 14 DA H4' 1 14 DA H8 5.500 3.800 7.200 4.786 4.337 5.453 . 0 0 "[ . 1]" 1
221 1 15 DG H4' 1 15 DG H8 5.500 3.800 7.200 4.717 4.512 4.932 . 0 0 "[ . 1]" 1
222 1 16 DC H4' 1 16 DC H6 5.500 3.800 7.200 4.615 4.433 4.675 . 0 0 "[ . 1]" 1
223 1 16 DC H4' 1 17 DG H8 5.500 3.800 7.200 5.681 5.409 5.937 . 0 0 "[ . 1]" 1
224 1 17 DG H4' 1 17 DG H8 3.800 2.900 4.700 4.730 4.316 4.884 0.184 9 0 "[ . 1]" 1
225 1 18 DG H4' 1 18 DG H8 5.500 3.800 7.200 5.291 5.190 5.637 . 0 0 "[ . 1]" 1
226 1 18 DG H4' 1 19 DG H8 5.500 3.800 7.200 5.790 5.611 6.096 . 0 0 "[ . 1]" 1
227 1 18 DG H8 1 19 DG H4' 5.500 3.800 7.200 4.213 3.879 4.565 . 0 0 "[ . 1]" 1
228 1 19 DG H4' 1 19 DG H8 3.800 2.900 4.700 4.776 4.536 4.845 0.145 7 0 "[ . 1]" 1
229 1 19 DG H8 1 20 DG H4' 5.500 3.800 7.200 6.746 5.919 7.249 0.049 9 0 "[ . 1]" 1
230 1 20 DG H4' 1 20 DG H8 5.500 3.800 7.200 5.191 5.003 5.519 . 0 0 "[ . 1]" 1
231 1 21 DT H4' 1 21 DT H6 5.500 3.800 7.200 4.631 4.536 4.692 . 0 0 "[ . 1]" 1
232 1 22 DC H4' 1 22 DC H6 5.500 3.800 7.200 4.727 4.605 5.388 . 0 0 "[ . 1]" 1
233 1 22 DC H4' 1 23 DG H8 5.500 3.800 7.200 6.732 5.545 7.219 0.019 6 0 "[ . 1]" 1
234 1 23 DG H4' 1 23 DG H8 5.500 3.800 7.200 5.056 4.564 5.825 . 0 0 "[ . 1]" 1
235 1 23 DG H4' 1 24 DG H8 5.500 3.800 7.200 7.216 6.612 7.518 0.318 2 0 "[ . 1]" 1
236 1 24 DG H4' 1 24 DG H8 5.500 3.800 7.200 5.412 5.264 5.660 . 0 0 "[ . 1]" 1
237 1 24 DG H4' 1 25 DG H8 5.500 3.800 7.200 5.985 5.780 6.201 . 0 0 "[ . 1]" 1
238 1 24 DG H8 1 25 DG H4' 3.800 2.900 4.700 4.407 4.197 4.585 . 0 0 "[ . 1]" 1
239 1 25 DG H4' 1 25 DG H8 5.500 3.800 7.200 4.893 4.877 4.926 . 0 0 "[ . 1]" 1
240 1 25 DG H4' 1 26 DC H5 5.500 3.800 7.200 6.429 6.244 6.919 . 0 0 "[ . 1]" 1
241 1 25 DG H4' 1 26 DC H6 5.500 3.800 7.200 5.659 5.542 6.179 . 0 0 "[ . 1]" 1
242 1 26 DC H4' 1 26 DC H6 3.800 2.900 4.700 4.450 4.085 4.526 . 0 0 "[ . 1]" 1
243 1 1 DG H2' 1 1 DG H8 2.700 . 3.500 2.735 2.552 3.660 0.160 10 0 "[ . 1]" 1
244 1 1 DG H2'' 1 1 DG H8 3.800 2.900 4.700 4.132 3.992 4.675 . 0 0 "[ . 1]" 1
245 1 2 DG H2' 1 2 DG H8 3.800 2.900 4.700 4.302 3.859 4.561 . 0 0 "[ . 1]" 1
246 1 2 DG H2' 1 3 DG H8 2.700 . 3.500 2.443 2.175 2.949 . 0 0 "[ . 1]" 1
247 1 2 DG H2'' 1 2 DG H8 3.800 2.900 4.700 3.712 3.449 4.287 . 0 0 "[ . 1]" 1
248 1 2 DG H2'' 1 3 DG H8 2.700 . 3.500 2.278 2.194 2.677 . 0 0 "[ . 1]" 1
249 1 3 DG H2' 1 3 DG H8 3.800 2.900 4.700 3.628 3.271 4.013 . 0 0 "[ . 1]" 1
250 1 3 DG H2' 1 4 DA H8 5.500 3.800 7.200 5.768 3.817 7.071 . 0 0 "[ . 1]" 1
251 1 3 DG H2' 1 5 DG H8 5.500 3.800 7.200 4.372 3.753 5.247 0.047 2 0 "[ . 1]" 1
252 1 3 DG H2'' 1 3 DG H8 3.800 2.900 4.700 4.639 4.531 4.737 0.037 10 0 "[ . 1]" 1
253 1 4 DA H2' 1 4 DA H8 2.700 . 3.500 2.263 2.193 2.646 . 0 0 "[ . 1]" 1
254 1 4 DA H2' 1 5 DG H8 3.800 2.900 4.700 3.476 2.856 4.444 0.044 2 0 "[ . 1]" 1
255 1 4 DA H2'' 1 4 DA H8 3.800 2.900 4.700 3.654 3.527 4.082 . 0 0 "[ . 1]" 1
256 1 4 DA H2'' 1 5 DG H8 3.800 2.900 4.700 4.017 2.892 4.710 0.010 5 0 "[ . 1]" 1
257 1 5 DG H2' 1 5 DG H8 2.700 . 3.500 2.217 2.136 2.556 . 0 0 "[ . 1]" 1
258 1 5 DG H2'' 1 5 DG H8 3.800 2.900 4.700 3.585 3.121 4.090 . 0 0 "[ . 1]" 1
259 1 6 DG H2' 1 6 DG H8 3.800 2.900 4.700 4.363 4.147 4.578 . 0 0 "[ . 1]" 1
260 1 6 DG H2' 1 7 DG H8 2.700 . 3.500 2.512 2.193 3.013 . 0 0 "[ . 1]" 1
261 1 6 DG H2'' 1 6 DG H8 3.800 2.900 4.700 3.700 3.500 3.950 . 0 0 "[ . 1]" 1
262 1 6 DG H2'' 1 7 DG H8 2.700 . 3.500 2.265 2.183 2.351 . 0 0 "[ . 1]" 1
263 1 7 DG H2' 1 7 DG H8 2.700 . 3.500 2.699 2.437 2.823 . 0 0 "[ . 1]" 1
264 1 7 DG H2' 1 8 DC H5 3.800 2.900 4.700 3.168 2.883 3.488 0.017 5 0 "[ . 1]" 1
265 1 7 DG H2' 1 8 DC H6 3.800 2.900 4.700 3.623 3.296 3.845 . 0 0 "[ . 1]" 1
266 1 7 DG H2'' 1 7 DG H8 3.800 2.900 4.700 4.164 3.660 4.305 . 0 0 "[ . 1]" 1
267 1 7 DG H2'' 1 8 DC H5 2.700 . 3.500 2.968 2.590 3.517 0.017 6 0 "[ . 1]" 1
268 1 7 DG H2'' 1 8 DC H6 2.700 . 3.500 2.192 2.174 2.204 . 0 0 "[ . 1]" 1
269 1 8 DC H2' 1 8 DC H5 3.800 2.900 4.700 4.429 4.347 4.689 . 0 0 "[ . 1]" 1
270 1 8 DC H2' 1 8 DC H6 2.700 . 3.500 2.348 2.211 2.853 . 0 0 "[ . 1]" 1
271 1 8 DC H2' 1 9 DG H8 3.800 2.900 4.700 3.157 2.895 3.292 0.005 5 0 "[ . 1]" 1
272 1 8 DC H2'' 1 8 DC H5 5.500 3.800 7.200 5.787 5.552 6.175 . 0 0 "[ . 1]" 1
273 1 8 DC H2'' 1 8 DC H6 3.800 2.900 4.700 3.884 3.684 4.332 . 0 0 "[ . 1]" 1
274 1 8 DC H2'' 1 9 DG H8 2.700 . 3.500 2.212 2.182 2.372 . 0 0 "[ . 1]" 1
275 1 9 DG H2' 1 9 DG H8 2.700 . 3.500 2.682 2.520 3.190 . 0 0 "[ . 1]" 1
276 1 9 DG H2' 1 10 DC H5 3.800 2.900 4.700 3.783 2.926 4.051 . 0 0 "[ . 1]" 1
277 1 9 DG H2' 1 10 DC H6 3.800 2.900 4.700 3.684 2.960 4.182 . 0 0 "[ . 1]" 1
278 1 9 DG H2'' 1 9 DG H8 3.800 2.900 4.700 3.995 3.788 4.659 . 0 0 "[ . 1]" 1
279 1 9 DG H2'' 1 10 DC H5 2.700 . 3.500 3.561 3.513 3.593 0.093 6 0 "[ . 1]" 1
280 1 9 DG H2'' 1 10 DC H6 2.700 . 3.500 2.385 2.182 2.739 . 0 0 "[ . 1]" 1
281 1 10 DC H2' 1 10 DC H5 3.800 2.900 4.700 4.408 4.334 4.539 . 0 0 "[ . 1]" 1
282 1 10 DC H2' 1 10 DC H6 2.700 . 3.500 2.290 2.178 2.529 . 0 0 "[ . 1]" 1
283 1 10 DC H2' 1 11 DG H8 3.800 2.900 4.700 3.162 2.762 3.669 0.138 2 0 "[ . 1]" 1
284 1 10 DC H2'' 1 10 DC H5 5.500 3.800 7.200 5.427 5.295 5.611 . 0 0 "[ . 1]" 1
285 1 10 DC H2'' 1 10 DC H6 3.800 2.900 4.700 3.632 3.511 3.833 . 0 0 "[ . 1]" 1
286 1 10 DC H2'' 1 11 DG H8 3.800 2.900 4.700 3.726 2.781 4.711 0.119 4 0 "[ . 1]" 1
287 1 11 DG H2' 1 11 DG H8 2.700 . 3.500 2.390 2.155 2.753 . 0 0 "[ . 1]" 1
288 1 11 DG H2' 1 12 DC H5 3.800 2.900 4.700 4.525 4.337 4.734 0.034 8 0 "[ . 1]" 1
289 1 11 DG H2' 1 12 DC H6 3.800 2.900 4.700 4.596 4.311 4.728 0.028 7 0 "[ . 1]" 1
290 1 11 DG H2'' 1 11 DG H8 3.800 2.900 4.700 3.723 3.342 4.146 . 0 0 "[ . 1]" 1
291 1 11 DG H2'' 1 12 DC H5 2.700 . 3.500 3.148 2.746 3.661 0.161 1 0 "[ . 1]" 1
292 1 11 DG H2'' 1 12 DC H6 3.800 2.900 4.700 2.953 2.709 3.172 0.191 1 0 "[ . 1]" 1
293 1 12 DC H2' 1 12 DC H5 3.800 2.900 4.700 4.502 4.284 4.763 0.063 8 0 "[ . 1]" 1
294 1 12 DC H2' 1 12 DC H6 2.700 . 3.500 2.462 2.169 2.906 . 0 0 "[ . 1]" 1
295 1 12 DC H2' 1 14 DA H8 5.500 3.800 7.200 7.165 6.826 7.344 0.144 2 0 "[ . 1]" 1
296 1 12 DC H2'' 1 12 DC H5 5.500 3.800 7.200 5.707 5.519 5.886 . 0 0 "[ . 1]" 1
297 1 12 DC H2'' 1 12 DC H6 3.800 2.900 4.700 3.885 3.702 4.105 . 0 0 "[ . 1]" 1
298 1 12 DC H2'' 1 14 DA H8 5.500 3.800 7.200 6.146 5.553 6.854 . 0 0 "[ . 1]" 1
299 1 13 DC H2' 1 13 DC H5 5.500 3.800 7.200 4.811 4.311 5.134 . 0 0 "[ . 1]" 1
300 1 13 DC H2' 1 13 DC H6 2.700 . 3.500 2.994 2.191 3.498 . 0 0 "[ . 1]" 1
301 1 13 DC H2' 1 14 DA H8 5.500 3.800 7.200 5.606 4.714 6.631 . 0 0 "[ . 1]" 1
302 1 13 DC H2'' 1 13 DC H5 5.500 3.800 7.200 6.032 5.663 6.418 . 0 0 "[ . 1]" 1
303 1 13 DC H2'' 1 13 DC H6 3.800 2.900 4.700 4.299 3.745 4.697 . 0 0 "[ . 1]" 1
304 1 13 DC H2'' 1 14 DA H8 5.500 3.800 7.200 5.636 4.334 6.874 . 0 0 "[ . 1]" 1
305 1 14 DA H2' 1 14 DA H8 2.700 . 3.500 2.711 2.159 3.245 . 0 0 "[ . 1]" 1
306 1 14 DA H2' 1 15 DG H8 3.800 2.900 4.700 4.088 2.870 4.819 0.119 10 0 "[ . 1]" 1
307 1 14 DA H2'' 1 14 DA H8 3.800 2.900 4.700 3.947 2.864 4.552 0.036 4 0 "[ . 1]" 1
308 1 14 DA H2'' 1 15 DG H8 3.800 2.900 4.700 3.901 2.757 4.713 0.143 9 0 "[ . 1]" 1
309 1 15 DG H2' 1 15 DG H8 2.700 . 3.500 2.816 2.466 3.135 . 0 0 "[ . 1]" 1
310 1 15 DG H2' 1 16 DC H5 5.500 3.800 7.200 4.255 3.779 4.823 0.021 2 0 "[ . 1]" 1
311 1 15 DG H2' 1 16 DC H6 3.800 2.900 4.700 3.894 3.517 4.241 . 0 0 "[ . 1]" 1
312 1 15 DG H2'' 1 15 DG H8 3.800 2.900 4.700 4.251 3.729 4.597 . 0 0 "[ . 1]" 1
313 1 15 DG H2'' 1 16 DC H5 5.500 3.800 7.200 4.242 4.140 4.358 . 0 0 "[ . 1]" 1
314 1 15 DG H2'' 1 16 DC H6 3.800 2.900 4.700 2.870 2.807 2.944 0.093 2 0 "[ . 1]" 1
315 1 16 DC H2' 1 16 DC H5 5.500 3.800 7.200 4.383 4.350 4.602 . 0 0 "[ . 1]" 1
316 1 16 DC H2' 1 16 DC H6 2.700 . 3.500 2.255 2.166 2.676 . 0 0 "[ . 1]" 1
317 1 16 DC H2' 1 17 DG H8 3.800 2.900 4.700 3.684 3.520 3.935 . 0 0 "[ . 1]" 1
318 1 16 DC H2'' 1 16 DC H5 5.500 3.800 7.200 5.589 5.468 5.781 . 0 0 "[ . 1]" 1
319 1 16 DC H2'' 1 16 DC H6 3.800 2.900 4.700 3.725 3.622 3.903 . 0 0 "[ . 1]" 1
320 1 16 DC H2'' 1 17 DG H8 2.700 . 3.500 2.204 2.170 2.301 . 0 0 "[ . 1]" 1
321 1 17 DG H2' 1 17 DG H8 2.700 . 3.500 2.550 2.254 3.528 0.028 7 0 "[ . 1]" 1
322 1 17 DG H2'' 1 17 DG H8 3.800 2.900 4.700 3.984 3.782 4.563 . 0 0 "[ . 1]" 1
323 1 18 DG H2' 1 18 DG H8 3.800 2.900 4.700 4.380 4.303 4.516 . 0 0 "[ . 1]" 1
324 1 18 DG H2' 1 19 DG H8 2.700 . 3.500 2.419 2.268 2.691 . 0 0 "[ . 1]" 1
325 1 18 DG H2'' 1 18 DG H8 3.800 2.900 4.700 3.697 3.615 4.096 . 0 0 "[ . 1]" 1
326 1 18 DG H2'' 1 19 DG H8 2.700 . 3.500 2.223 2.185 2.382 . 0 0 "[ . 1]" 1
327 1 19 DG H2' 1 19 DG H8 2.700 . 3.500 2.682 2.536 3.137 . 0 0 "[ . 1]" 1
328 1 19 DG H2'' 1 19 DG H8 3.800 2.900 4.700 4.050 3.837 4.433 . 0 0 "[ . 1]" 1
329 1 20 DG H2' 1 20 DG H8 2.700 . 3.500 2.217 2.145 2.297 . 0 0 "[ . 1]" 1
330 1 20 DG H2' 1 21 DT H6 3.800 2.900 4.700 4.262 3.829 4.794 0.094 10 0 "[ . 1]" 1
331 1 20 DG H2'' 1 20 DG H8 3.800 2.900 4.700 3.457 2.891 3.838 0.009 9 0 "[ . 1]" 1
332 1 20 DG H2'' 1 21 DT H6 3.800 2.900 4.700 3.204 2.894 4.768 0.068 5 0 "[ . 1]" 1
333 1 21 DT H2' 1 21 DT H6 2.700 . 3.500 2.291 2.189 2.534 . 0 0 "[ . 1]" 1
334 1 21 DT H2'' 1 21 DT H6 3.800 2.900 4.700 3.760 3.613 3.894 . 0 0 "[ . 1]" 1
335 1 22 DC H2' 1 22 DC H5 5.500 3.800 7.200 4.363 4.336 4.380 . 0 0 "[ . 1]" 1
336 1 22 DC H2' 1 22 DC H6 2.700 . 3.500 2.197 2.190 2.205 . 0 0 "[ . 1]" 1
337 1 22 DC H2' 1 23 DG H8 3.800 2.900 4.700 4.217 3.445 4.786 0.086 10 0 "[ . 1]" 1
338 1 22 DC H2'' 1 22 DC H6 3.800 2.900 4.700 3.619 2.763 3.768 0.137 8 0 "[ . 1]" 1
339 1 22 DC H2'' 1 23 DG H8 3.800 2.900 4.700 4.190 3.588 4.718 0.018 4 0 "[ . 1]" 1
340 1 23 DG H2' 1 23 DG H8 3.800 2.900 4.700 3.338 2.706 4.579 0.194 1 0 "[ . 1]" 1
341 1 23 DG H2'' 1 23 DG H8 3.800 2.900 4.700 4.087 2.896 4.732 0.032 5 0 "[ . 1]" 1
342 1 24 DG H2' 1 24 DG H8 3.800 2.900 4.700 4.383 4.060 4.560 . 0 0 "[ . 1]" 1
343 1 24 DG H2' 1 25 DG H8 2.700 . 3.500 2.600 2.173 3.011 . 0 0 "[ . 1]" 1
344 1 24 DG H2'' 1 24 DG H8 3.800 2.900 4.700 3.702 3.335 3.966 . 0 0 "[ . 1]" 1
345 1 24 DG H2'' 1 25 DG H8 2.700 . 3.500 2.265 2.199 2.491 . 0 0 "[ . 1]" 1
346 1 25 DG H2' 1 25 DG H8 2.700 . 3.500 2.576 2.517 2.611 . 0 0 "[ . 1]" 1
347 1 25 DG H2' 1 26 DC H5 3.800 2.900 4.700 3.334 3.217 3.664 . 0 0 "[ . 1]" 1
348 1 25 DG H2' 1 26 DC H6 3.800 2.900 4.700 3.903 3.796 4.046 . 0 0 "[ . 1]" 1
349 1 25 DG H2'' 1 25 DG H8 3.800 2.900 4.700 4.003 3.899 4.045 . 0 0 "[ . 1]" 1
350 1 25 DG H2'' 1 26 DC H5 2.700 . 3.500 2.757 2.519 3.252 . 0 0 "[ . 1]" 1
351 1 25 DG H2'' 1 26 DC H6 2.700 . 3.500 2.258 2.195 2.565 . 0 0 "[ . 1]" 1
352 1 26 DC H2' 1 26 DC H5 3.800 2.900 4.700 4.404 4.364 4.679 . 0 0 "[ . 1]" 1
353 1 26 DC H2' 1 26 DC H6 2.700 . 3.500 2.249 2.184 2.801 . 0 0 "[ . 1]" 1
354 1 26 DC H2'' 1 26 DC H5 5.500 3.800 7.200 5.637 5.571 5.929 . 0 0 "[ . 1]" 1
355 1 26 DC H2'' 1 26 DC H6 3.800 2.900 4.700 3.743 3.675 4.179 . 0 0 "[ . 1]" 1
356 1 20 DG H8 1 21 DT C7 3.800 2.900 5.200 4.550 3.983 5.215 0.015 6 0 "[ . 1]" 1
357 1 21 DT C7 1 21 DT H6 2.700 . 4.000 2.659 2.658 2.662 . 0 0 "[ . 1]" 1
358 1 15 DG H1' 1 16 DC H1' 5.500 3.800 7.200 5.598 5.135 6.318 . 0 0 "[ . 1]" 1
359 1 18 DG H1' 1 19 DG H1' 5.500 3.800 7.200 5.007 4.490 5.215 . 0 0 "[ . 1]" 1
360 1 20 DG H1' 1 21 DT H1' 5.500 3.800 7.200 6.086 4.773 7.274 0.074 6 0 "[ . 1]" 1
361 1 1 DG H1' 1 1 DG H2' 2.700 . 3.500 3.002 2.948 3.017 . 0 0 "[ . 1]" 1
362 1 1 DG H1' 1 1 DG H2'' 2.700 . 3.500 2.284 2.160 2.337 . 0 0 "[ . 1]" 1
363 1 2 DG H1' 1 2 DG H2' 2.700 . 3.500 3.017 3.008 3.025 . 0 0 "[ . 1]" 1
364 1 2 DG H1' 1 2 DG H2'' 2.700 . 3.500 2.229 2.191 2.374 . 0 0 "[ . 1]" 1
365 1 3 DG H1' 1 3 DG H2' 2.700 . 3.500 2.805 2.727 2.881 . 0 0 "[ . 1]" 1
366 1 3 DG H1' 1 3 DG H2'' 2.700 . 3.500 2.265 2.199 2.368 . 0 0 "[ . 1]" 1
367 1 4 DA H1' 1 4 DA H2' 2.700 . 3.500 3.026 3.006 3.031 . 0 0 "[ . 1]" 1
368 1 4 DA H1' 1 4 DA H2'' 2.700 . 3.500 2.371 2.260 2.467 . 0 0 "[ . 1]" 1
369 1 5 DG H1' 1 5 DG H2' 2.700 . 3.500 3.009 2.968 3.034 . 0 0 "[ . 1]" 1
370 1 5 DG H1' 1 5 DG H2'' 2.700 . 3.500 2.381 2.190 2.592 . 0 0 "[ . 1]" 1
371 1 6 DG H1' 1 6 DG H2' 2.700 . 3.500 3.020 3.013 3.025 . 0 0 "[ . 1]" 1
372 1 6 DG H1' 1 6 DG H2'' 2.700 . 3.500 2.205 2.171 2.313 . 0 0 "[ . 1]" 1
373 1 7 DG H1' 1 7 DG H2' 2.700 . 3.500 3.022 3.015 3.031 . 0 0 "[ . 1]" 1
374 1 7 DG H1' 1 7 DG H2'' 2.700 . 3.500 2.439 2.191 2.514 . 0 0 "[ . 1]" 1
375 1 8 DC H1' 1 8 DC H2' 2.700 . 3.500 3.022 3.017 3.027 . 0 0 "[ . 1]" 1
376 1 8 DC H1' 1 8 DC H2'' 2.700 . 3.500 2.471 2.198 2.588 . 0 0 "[ . 1]" 1
377 1 9 DG H1' 1 9 DG H2' 2.700 . 3.500 3.025 3.018 3.028 . 0 0 "[ . 1]" 1
378 1 9 DG H1' 1 9 DG H2'' 2.700 . 3.500 2.276 2.197 2.642 . 0 0 "[ . 1]" 1
379 1 10 DC H1' 1 10 DC H2' 2.700 . 3.500 3.027 3.023 3.032 . 0 0 "[ . 1]" 1
380 1 10 DC H1' 1 10 DC H2'' 2.700 . 3.500 2.226 2.152 2.437 . 0 0 "[ . 1]" 1
381 1 11 DG H1' 1 11 DG H2' 2.700 . 3.500 3.028 3.024 3.032 . 0 0 "[ . 1]" 1
382 1 11 DG H1' 1 11 DG H2'' 2.700 . 3.500 2.347 2.187 2.425 . 0 0 "[ . 1]" 1
383 1 12 DC H1' 1 12 DC H2' 2.700 . 3.500 3.022 2.994 3.030 . 0 0 "[ . 1]" 1
384 1 12 DC H1' 1 12 DC H2'' 2.700 . 3.500 2.356 2.186 2.428 . 0 0 "[ . 1]" 1
385 1 13 DC H1' 1 13 DC H2' 2.700 . 3.500 3.023 3.008 3.030 . 0 0 "[ . 1]" 1
386 1 13 DC H1' 1 13 DC H2'' 2.700 . 3.500 2.433 2.371 2.546 . 0 0 "[ . 1]" 1
387 1 14 DA H1' 1 14 DA H2' 2.700 . 3.500 3.018 3.003 3.032 . 0 0 "[ . 1]" 1
388 1 14 DA H1' 1 14 DA H2'' 2.700 . 3.500 2.279 2.172 2.415 . 0 0 "[ . 1]" 1
389 1 15 DG H1' 1 15 DG H2' 2.700 . 3.500 3.025 3.019 3.033 . 0 0 "[ . 1]" 1
390 1 15 DG H1' 1 15 DG H2'' 2.700 . 3.500 2.461 2.188 2.642 . 0 0 "[ . 1]" 1
391 1 16 DC H1' 1 16 DC H2' 2.700 . 3.500 3.025 3.023 3.031 . 0 0 "[ . 1]" 1
392 1 16 DC H1' 1 16 DC H2'' 2.700 . 3.500 2.370 2.195 2.620 . 0 0 "[ . 1]" 1
393 1 17 DG H1' 1 17 DG H2' 2.700 . 3.500 2.988 2.785 3.017 . 0 0 "[ . 1]" 1
394 1 17 DG H1' 1 17 DG H2'' 2.700 . 3.500 2.296 2.191 2.383 . 0 0 "[ . 1]" 1
395 1 18 DG H1' 1 18 DG H2' 2.700 . 3.500 3.022 3.016 3.027 . 0 0 "[ . 1]" 1
396 1 18 DG H1' 1 18 DG H2'' 2.700 . 3.500 2.197 2.176 2.283 . 0 0 "[ . 1]" 1
397 1 19 DG H1' 1 19 DG H2' 2.700 . 3.500 3.025 3.023 3.027 . 0 0 "[ . 1]" 1
398 1 19 DG H1' 1 19 DG H2'' 2.700 . 3.500 2.332 2.191 2.578 . 0 0 "[ . 1]" 1
399 1 20 DG H1' 1 20 DG H2' 2.700 . 3.500 3.025 3.020 3.029 . 0 0 "[ . 1]" 1
400 1 20 DG H1' 1 20 DG H2'' 2.700 . 3.500 2.357 2.195 2.592 . 0 0 "[ . 1]" 1
401 1 21 DT H1' 1 21 DT H2' 2.700 . 3.500 3.024 3.018 3.030 . 0 0 "[ . 1]" 1
402 1 21 DT H1' 1 21 DT H2'' 2.700 . 3.500 2.365 2.253 2.475 . 0 0 "[ . 1]" 1
403 1 22 DC H1' 1 22 DC H2' 2.700 . 3.500 3.025 3.013 3.030 . 0 0 "[ . 1]" 1
404 1 22 DC H1' 1 22 DC H2'' 2.700 . 3.500 2.439 2.356 2.612 . 0 0 "[ . 1]" 1
405 1 23 DG H1' 1 23 DG H2' 2.700 . 3.500 2.981 2.708 3.031 . 0 0 "[ . 1]" 1
406 1 23 DG H1' 1 23 DG H2'' 2.700 . 3.500 2.281 2.185 2.549 . 0 0 "[ . 1]" 1
407 1 24 DG H1' 1 24 DG H2' 2.700 . 3.500 3.026 3.023 3.027 . 0 0 "[ . 1]" 1
408 1 24 DG H1' 1 24 DG H2'' 2.700 . 3.500 2.239 2.192 2.326 . 0 0 "[ . 1]" 1
409 1 25 DG H1' 1 25 DG H2' 2.700 . 3.500 3.026 3.024 3.028 . 0 0 "[ . 1]" 1
410 1 25 DG H1' 1 25 DG H2'' 2.700 . 3.500 2.383 2.336 2.426 . 0 0 "[ . 1]" 1
411 1 26 DC H1' 1 26 DC H2' 2.700 . 3.500 3.027 3.022 3.029 . 0 0 "[ . 1]" 1
412 1 26 DC H1' 1 26 DC H2'' 2.700 . 3.500 2.429 2.397 2.441 . 0 0 "[ . 1]" 1
413 1 20 DG H1' 1 21 DT C7 5.500 3.800 7.700 5.338 3.944 6.442 . 0 0 "[ . 1]" 1
414 1 21 DT C7 1 21 DT H1' 5.500 3.800 7.700 5.831 5.820 5.834 . 0 0 "[ . 1]" 1
415 1 1 DG H3' 1 1 DG H4' 2.700 . 3.500 2.952 2.922 3.012 . 0 0 "[ . 1]" 1
416 1 2 DG H3' 1 2 DG H4' 2.700 . 3.500 2.920 2.761 2.966 . 0 0 "[ . 1]" 1
417 1 3 DG H3' 1 3 DG H4' 2.700 . 3.500 3.022 3.000 3.033 . 0 0 "[ . 1]" 1
418 1 4 DA H3' 1 4 DA H4' 2.700 . 3.500 2.863 2.804 2.970 . 0 0 "[ . 1]" 1
419 1 5 DG H3' 1 5 DG H4' 2.700 . 3.500 2.917 2.807 3.017 . 0 0 "[ . 1]" 1
420 1 6 DG H3' 1 6 DG H4' 2.700 . 3.500 2.919 2.897 2.960 . 0 0 "[ . 1]" 1
421 1 7 DG H3' 1 7 DG H4' 2.700 . 3.500 2.883 2.805 2.920 . 0 0 "[ . 1]" 1
422 1 8 DC H3' 1 8 DC H4' 2.700 . 3.500 2.811 2.735 2.968 . 0 0 "[ . 1]" 1
423 1 9 DG H3' 1 9 DG H4' 2.700 . 3.500 2.826 2.726 2.874 . 0 0 "[ . 1]" 1
424 1 10 DC H3' 1 10 DC H4' 2.700 . 3.500 2.856 2.760 2.907 . 0 0 "[ . 1]" 1
425 1 11 DG H3' 1 11 DG H4' 2.700 . 3.500 2.837 2.787 2.863 . 0 0 "[ . 1]" 1
426 1 12 DC H3' 1 12 DC H4' 2.700 . 3.500 2.828 2.759 2.905 . 0 0 "[ . 1]" 1
427 1 13 DC H3' 1 13 DC H4' 2.700 . 3.500 2.860 2.740 2.945 . 0 0 "[ . 1]" 1
428 1 14 DA H3' 1 14 DA H4' 2.700 . 3.500 2.806 2.722 2.887 . 0 0 "[ . 1]" 1
429 1 15 DG H3' 1 15 DG H4' 2.700 . 3.500 2.819 2.741 2.890 . 0 0 "[ . 1]" 1
430 1 16 DC H3' 1 16 DC H4' 2.700 . 3.500 2.873 2.707 2.909 . 0 0 "[ . 1]" 1
431 1 17 DG H3' 1 17 DG H4' 2.700 . 3.500 2.836 2.727 3.014 . 0 0 "[ . 1]" 1
432 1 18 DG H3' 1 18 DG H4' 2.700 . 3.500 2.912 2.747 2.951 . 0 0 "[ . 1]" 1
433 1 19 DG H3' 1 19 DG H4' 2.700 . 3.500 2.827 2.773 2.856 . 0 0 "[ . 1]" 1
434 1 20 DG H3' 1 20 DG H4' 2.700 . 3.500 2.871 2.781 2.929 . 0 0 "[ . 1]" 1
435 1 21 DT H3' 1 21 DT H4' 2.700 . 3.500 2.898 2.863 2.917 . 0 0 "[ . 1]" 1
436 1 22 DC H3' 1 22 DC H4' 2.700 . 3.500 2.876 2.812 2.956 . 0 0 "[ . 1]" 1
437 1 23 DG H3' 1 23 DG H4' 2.700 . 3.500 2.940 2.814 2.994 . 0 0 "[ . 1]" 1
438 1 24 DG H3' 1 24 DG H4' 2.700 . 3.500 2.859 2.822 2.908 . 0 0 "[ . 1]" 1
439 1 25 DG H3' 1 25 DG H4' 2.700 . 3.500 2.866 2.819 2.883 . 0 0 "[ . 1]" 1
440 1 26 DC H3' 1 26 DC H4' 2.700 . 3.500 2.743 2.713 2.757 . 0 0 "[ . 1]" 1
441 1 1 DG H2' 1 1 DG H3' 2.700 . 3.500 2.290 2.275 2.300 . 0 0 "[ . 1]" 1
442 1 1 DG H2'' 1 1 DG H3' 2.700 . 3.500 2.939 2.876 3.068 . 0 0 "[ . 1]" 1
443 1 2 DG H2' 1 2 DG H3' 2.700 . 3.500 2.302 2.286 2.352 . 0 0 "[ . 1]" 1
444 1 2 DG H2'' 1 2 DG H3' 2.700 . 3.500 2.969 2.727 3.021 . 0 0 "[ . 1]" 1
445 1 3 DG H2' 1 3 DG H3' 2.700 . 3.500 2.325 2.306 2.346 . 0 0 "[ . 1]" 1
446 1 3 DG H2'' 1 3 DG H3' 2.700 . 3.500 3.061 2.985 3.128 . 0 0 "[ . 1]" 1
447 1 4 DA H2' 1 4 DA H3' 2.700 . 3.500 2.333 2.286 2.359 . 0 0 "[ . 1]" 1
448 1 4 DA H2'' 1 4 DA H3' 2.700 . 3.500 2.803 2.652 2.938 . 0 0 "[ . 1]" 1
449 1 5 DG H2' 1 5 DG H3' 2.700 . 3.500 2.315 2.278 2.359 . 0 0 "[ . 1]" 1
450 1 5 DG H2'' 1 5 DG H3' 2.700 . 3.500 2.799 2.438 3.050 . 0 0 "[ . 1]" 1
451 1 6 DG H2' 1 6 DG H3' 2.700 . 3.500 2.306 2.294 2.316 . 0 0 "[ . 1]" 1
452 1 6 DG H2'' 1 6 DG H3' 2.700 . 3.500 2.994 2.892 3.040 . 0 0 "[ . 1]" 1
453 1 7 DG H2' 1 7 DG H3' 2.700 . 3.500 2.315 2.298 2.360 . 0 0 "[ . 1]" 1
454 1 7 DG H2'' 1 7 DG H3' 2.700 . 3.500 2.717 2.596 2.968 . 0 0 "[ . 1]" 1
455 1 8 DC H2' 1 8 DC H3' 2.700 . 3.500 2.342 2.294 2.361 . 0 0 "[ . 1]" 1
456 1 8 DC H2'' 1 8 DC H3' 2.700 . 3.500 2.615 2.384 3.028 . 0 0 "[ . 1]" 1
457 1 9 DG H2' 1 9 DG H3' 2.700 . 3.500 2.341 2.306 2.364 . 0 0 "[ . 1]" 1
458 1 9 DG H2'' 1 9 DG H3' 2.700 . 3.500 2.863 2.260 2.972 . 0 0 "[ . 1]" 1
459 1 10 DC H2' 1 10 DC H3' 2.700 . 3.500 2.335 2.304 2.376 . 0 0 "[ . 1]" 1
460 1 10 DC H2'' 1 10 DC H3' 2.700 . 3.500 2.950 2.730 3.038 . 0 0 "[ . 1]" 1
461 1 11 DG H2' 1 11 DG H3' 2.700 . 3.500 2.343 2.324 2.362 . 0 0 "[ . 1]" 1
462 1 11 DG H2'' 1 11 DG H3' 2.700 . 3.500 2.817 2.736 3.002 . 0 0 "[ . 1]" 1
463 1 12 DC H2' 1 12 DC H3' 2.700 . 3.500 2.339 2.306 2.372 . 0 0 "[ . 1]" 1
464 1 12 DC H2'' 1 12 DC H3' 2.700 . 3.500 2.796 2.716 2.988 . 0 0 "[ . 1]" 1
465 1 13 DC H2' 1 13 DC H3' 2.700 . 3.500 2.329 2.288 2.369 . 0 0 "[ . 1]" 1
466 1 13 DC H2'' 1 13 DC H3' 2.700 . 3.500 2.723 2.624 2.833 . 0 0 "[ . 1]" 1
467 1 14 DA H2' 1 14 DA H3' 2.700 . 3.500 2.344 2.303 2.364 . 0 0 "[ . 1]" 1
468 1 14 DA H2'' 1 14 DA H3' 2.700 . 3.500 2.860 2.673 3.016 . 0 0 "[ . 1]" 1
469 1 15 DG H2' 1 15 DG H3' 2.700 . 3.500 2.342 2.315 2.362 . 0 0 "[ . 1]" 1
470 1 15 DG H2'' 1 15 DG H3' 2.700 . 3.500 2.638 2.277 2.994 . 0 0 "[ . 1]" 1
471 1 16 DC H2' 1 16 DC H3' 2.700 . 3.500 2.326 2.309 2.398 . 0 0 "[ . 1]" 1
472 1 16 DC H2'' 1 16 DC H3' 2.700 . 3.500 2.798 2.318 2.981 . 0 0 "[ . 1]" 1
473 1 17 DG H2' 1 17 DG H3' 2.700 . 3.500 2.324 2.288 2.343 . 0 0 "[ . 1]" 1
474 1 17 DG H2'' 1 17 DG H3' 2.700 . 3.500 2.854 2.688 3.099 . 0 0 "[ . 1]" 1
475 1 18 DG H2' 1 18 DG H3' 2.700 . 3.500 2.309 2.294 2.358 . 0 0 "[ . 1]" 1
476 1 18 DG H2'' 1 18 DG H3' 2.700 . 3.500 3.000 2.828 3.031 . 0 0 "[ . 1]" 1
477 1 19 DG H2' 1 19 DG H3' 2.700 . 3.500 2.340 2.325 2.357 . 0 0 "[ . 1]" 1
478 1 19 DG H2'' 1 19 DG H3' 2.700 . 3.500 2.810 2.446 2.978 . 0 0 "[ . 1]" 1
479 1 20 DG H2' 1 20 DG H3' 2.700 . 3.500 2.327 2.300 2.370 . 0 0 "[ . 1]" 1
480 1 20 DG H2'' 1 20 DG H3' 2.700 . 3.500 2.810 2.484 2.968 . 0 0 "[ . 1]" 1
481 1 21 DT H2' 1 21 DT H3' 2.700 . 3.500 2.317 2.305 2.333 . 0 0 "[ . 1]" 1
482 1 21 DT H2'' 1 21 DT H3' 2.700 . 3.500 2.830 2.704 2.952 . 0 0 "[ . 1]" 1
483 1 22 DC H2' 1 22 DC H3' 2.700 . 3.500 2.325 2.288 2.358 . 0 0 "[ . 1]" 1
484 1 22 DC H2'' 1 22 DC H3' 2.700 . 3.500 2.721 2.443 2.861 . 0 0 "[ . 1]" 1
485 1 23 DG H2' 1 23 DG H3' 2.700 . 3.500 2.300 2.275 2.360 . 0 0 "[ . 1]" 1
486 1 23 DG H2'' 1 23 DG H3' 2.700 . 3.500 2.934 2.630 3.109 . 0 0 "[ . 1]" 1
487 1 24 DG H2' 1 24 DG H3' 2.700 . 3.500 2.330 2.315 2.347 . 0 0 "[ . 1]" 1
488 1 24 DG H2'' 1 24 DG H3' 2.700 . 3.500 2.940 2.846 3.007 . 0 0 "[ . 1]" 1
489 1 25 DG H2' 1 25 DG H3' 2.700 . 3.500 2.326 2.320 2.347 . 0 0 "[ . 1]" 1
490 1 25 DG H2'' 1 25 DG H3' 2.700 . 3.500 2.792 2.742 2.850 . 0 0 "[ . 1]" 1
491 1 26 DC H2' 1 26 DC H3' 2.700 . 3.500 2.357 2.355 2.362 . 0 0 "[ . 1]" 1
492 1 26 DC H2'' 1 26 DC H3' 2.700 . 3.500 2.666 2.655 2.691 . 0 0 "[ . 1]" 1
493 1 1 DG H2' 1 1 DG H2'' 2.700 . 3.500 1.793 1.789 1.794 0.111 10 0 "[ . 1]" 1
494 1 2 DG H2' 1 2 DG H2'' 2.700 . 3.500 1.794 1.792 1.795 0.108 7 0 "[ . 1]" 1
495 1 3 DG H2' 1 3 DG H2'' 2.700 . 3.500 1.793 1.791 1.795 0.109 6 0 "[ . 1]" 1
496 1 4 DA H2' 1 4 DA H2'' 2.700 . 3.500 1.795 1.793 1.796 0.107 6 0 "[ . 1]" 1
497 1 5 DG H2' 1 5 DG H2'' 2.700 . 3.500 1.794 1.791 1.796 0.109 1 0 "[ . 1]" 1
498 1 6 DG H2' 1 6 DG H2'' 2.700 . 3.500 1.794 1.791 1.795 0.109 2 0 "[ . 1]" 1
499 1 7 DG H2' 1 7 DG H2'' 2.700 . 3.500 1.794 1.792 1.796 0.108 9 0 "[ . 1]" 1
500 1 8 DC H2' 1 8 DC H2'' 2.700 . 3.500 1.795 1.793 1.797 0.107 9 0 "[ . 1]" 1
501 1 9 DG H2' 1 9 DG H2'' 2.700 . 3.500 1.796 1.793 1.796 0.107 6 0 "[ . 1]" 1
502 1 10 DC H2' 1 10 DC H2'' 2.700 . 3.500 1.795 1.790 1.798 0.110 4 0 "[ . 1]" 1
503 1 11 DG H2' 1 11 DG H2'' 2.700 . 3.500 1.795 1.794 1.797 0.106 2 0 "[ . 1]" 1
504 1 12 DC H2' 1 12 DC H2'' 2.700 . 3.500 1.794 1.792 1.797 0.108 7 0 "[ . 1]" 1
505 1 13 DC H2' 1 13 DC H2'' 2.700 . 3.500 1.795 1.792 1.796 0.108 7 0 "[ . 1]" 1
506 1 14 DA H2' 1 14 DA H2'' 2.700 . 3.500 1.795 1.792 1.797 0.108 1 0 "[ . 1]" 1
507 1 15 DG H2' 1 15 DG H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 5 0 "[ . 1]" 1
508 1 16 DC H2' 1 16 DC H2'' 2.700 . 3.500 1.794 1.792 1.796 0.108 9 0 "[ . 1]" 1
509 1 17 DG H2' 1 17 DG H2'' 2.700 . 3.500 1.794 1.791 1.795 0.109 7 0 "[ . 1]" 1
510 1 18 DG H2' 1 18 DG H2'' 2.700 . 3.500 1.794 1.793 1.795 0.107 5 0 "[ . 1]" 1
511 1 19 DG H2' 1 19 DG H2'' 2.700 . 3.500 1.795 1.793 1.797 0.107 6 0 "[ . 1]" 1
512 1 20 DG H2' 1 20 DG H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 10 0 "[ . 1]" 1
513 1 21 DT H2' 1 21 DT H2'' 2.700 . 3.500 1.795 1.794 1.797 0.106 4 0 "[ . 1]" 1
514 1 22 DC H2' 1 22 DC H2'' 2.700 . 3.500 1.795 1.793 1.796 0.107 10 0 "[ . 1]" 1
515 1 23 DG H2' 1 23 DG H2'' 2.700 . 3.500 1.793 1.790 1.797 0.110 2 0 "[ . 1]" 1
516 1 24 DG H2' 1 24 DG H2'' 2.700 . 3.500 1.795 1.793 1.796 0.107 7 0 "[ . 1]" 1
517 1 25 DG H2' 1 25 DG H2'' 2.700 . 3.500 1.795 1.794 1.796 0.106 1 0 "[ . 1]" 1
518 1 20 DG H2' 1 21 DT C7 5.500 3.800 7.700 4.843 4.016 6.327 . 0 0 "[ . 1]" 1
519 1 20 DG H2'' 1 21 DT C7 5.500 3.800 7.700 4.599 3.743 5.483 0.057 10 0 "[ . 1]" 1
520 1 21 DT C7 1 21 DT H2' 5.500 3.800 7.700 4.646 4.564 4.838 . 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 56
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 18.690
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0178
_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 0.027 0.011 8 0 "[ . 1]"
1 2 DG 0.359 0.036 10 0 "[ . 1]"
1 3 DG 0.269 0.050 5 0 "[ . 1]"
1 6 DG 0.209 0.050 5 0 "[ . 1]"
1 7 DG 0.324 0.035 8 0 "[ . 1]"
1 8 DC 0.372 0.049 9 0 "[ . 1]"
1 9 DG 0.361 0.041 3 0 "[ . 1]"
1 10 DC 0.181 0.038 9 0 "[ . 1]"
1 15 DG 0.181 0.038 9 0 "[ . 1]"
1 16 DC 0.361 0.041 3 0 "[ . 1]"
1 17 DG 0.372 0.049 9 0 "[ . 1]"
1 18 DG 0.119 0.031 6 0 "[ . 1]"
1 19 DG 0.180 0.024 1 0 "[ . 1]"
1 24 DG 0.240 0.042 6 0 "[ . 1]"
1 25 DG 0.154 0.036 10 0 "[ . 1]"
1 26 DC 0.027 0.011 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG H21 1 7 DG N7 2.000 . 2.200 1.817 1.765 1.941 0.035 8 0 "[ . 1]" 2
2 1 2 DG N2 1 7 DG N7 2.900 2.600 3.200 2.801 2.742 2.903 . 0 0 "[ . 1]" 2
3 1 2 DG H1 1 7 DG O6 2.000 . 2.200 2.192 2.010 2.231 0.031 8 0 "[ . 1]" 2
4 1 2 DG N1 1 7 DG O6 2.900 2.600 3.200 3.161 2.996 3.212 0.012 10 0 "[ . 1]" 2
5 1 7 DG H21 1 18 DG N7 2.000 . 2.200 1.919 1.796 2.072 0.004 3 0 "[ . 1]" 2
6 1 7 DG N2 1 18 DG N7 2.900 2.600 3.200 2.914 2.796 3.077 . 0 0 "[ . 1]" 2
7 1 7 DG H1 1 18 DG O6 2.000 . 2.200 1.906 1.769 2.157 0.031 6 0 "[ . 1]" 2
8 1 7 DG N1 1 18 DG O6 2.900 2.600 3.200 2.775 2.660 2.949 . 0 0 "[ . 1]" 2
9 1 18 DG H21 1 25 DG N7 2.000 . 2.200 2.076 1.921 2.214 0.014 4 0 "[ . 1]" 2
10 1 18 DG N2 1 25 DG N7 2.900 2.600 3.200 3.051 2.902 3.185 . 0 0 "[ . 1]" 2
11 1 18 DG H1 1 25 DG O6 2.000 . 2.200 2.152 2.058 2.215 0.015 7 0 "[ . 1]" 2
12 1 18 DG N1 1 25 DG O6 2.900 2.600 3.200 3.132 3.040 3.205 0.005 4 0 "[ . 1]" 2
13 1 2 DG N7 1 25 DG H21 2.000 . 2.200 1.862 1.791 2.132 0.009 4 0 "[ . 1]" 2
14 1 2 DG N7 1 25 DG N2 2.900 2.600 3.200 2.856 2.786 3.120 . 0 0 "[ . 1]" 2
15 1 2 DG O6 1 25 DG H1 2.000 . 2.200 1.912 1.764 2.072 0.036 10 0 "[ . 1]" 2
16 1 2 DG O6 1 25 DG N1 2.900 2.600 3.200 2.820 2.724 2.949 . 0 0 "[ . 1]" 2
17 1 3 DG H21 1 24 DG N7 2.000 . 2.200 1.926 1.791 2.159 0.009 7 0 "[ . 1]" 2
18 1 3 DG N2 1 24 DG N7 2.900 2.600 3.200 2.834 2.722 3.004 . 0 0 "[ . 1]" 2
19 1 3 DG H1 1 24 DG O6 2.000 . 2.200 1.829 1.758 1.992 0.042 6 0 "[ . 1]" 2
20 1 3 DG N1 1 24 DG O6 2.900 2.600 3.200 2.790 2.732 2.910 . 0 0 "[ . 1]" 2
21 1 19 DG N7 1 24 DG H21 2.000 . 2.200 2.019 1.825 2.221 0.021 10 0 "[ . 1]" 2
22 1 19 DG N7 1 24 DG N2 2.900 2.600 3.200 3.016 2.819 3.222 0.022 10 0 "[ . 1]" 2
23 1 19 DG O6 1 24 DG H1 2.000 . 2.200 2.088 1.856 2.216 0.016 2 0 "[ . 1]" 2
24 1 19 DG O6 1 24 DG N1 2.900 2.600 3.200 2.994 2.813 3.168 . 0 0 "[ . 1]" 2
25 1 6 DG N7 1 19 DG H21 2.000 . 2.200 1.930 1.787 2.130 0.013 4 0 "[ . 1]" 2
26 1 6 DG N7 1 19 DG N2 2.900 2.600 3.200 2.805 2.604 3.009 . 0 0 "[ . 1]" 2
27 1 6 DG O6 1 19 DG H1 2.000 . 2.200 1.820 1.776 1.952 0.024 1 0 "[ . 1]" 2
28 1 6 DG O6 1 19 DG N1 2.900 2.600 3.200 2.784 2.706 2.938 . 0 0 "[ . 1]" 2
29 1 3 DG N7 1 6 DG H21 2.000 . 2.200 1.973 1.750 2.064 0.050 5 0 "[ . 1]" 2
30 1 3 DG N7 1 6 DG N2 2.900 2.600 3.200 2.968 2.758 3.065 . 0 0 "[ . 1]" 2
31 1 3 DG O6 1 6 DG H1 2.000 . 2.200 2.184 2.098 2.242 0.042 5 0 "[ . 1]" 2
32 1 3 DG O6 1 6 DG N1 2.900 2.600 3.200 3.085 2.943 3.180 . 0 0 "[ . 1]" 2
33 1 1 DG H21 1 26 DC O2 2.000 . 2.200 2.033 1.893 2.090 . 0 0 "[ . 1]" 2
34 1 1 DG N2 1 26 DC O2 2.900 2.700 3.100 3.042 2.900 3.098 . 0 0 "[ . 1]" 2
35 1 1 DG H1 1 26 DC N3 2.000 . 2.200 1.997 1.893 2.083 . 0 0 "[ . 1]" 2
36 1 1 DG N1 1 26 DC N3 2.900 2.700 3.100 3.002 2.903 3.089 . 0 0 "[ . 1]" 2
37 1 1 DG O6 1 26 DC H41 2.000 . 2.200 1.847 1.789 1.965 0.011 8 0 "[ . 1]" 2
38 1 1 DG O6 1 26 DC N4 2.900 2.700 3.100 2.854 2.794 2.971 . 0 0 "[ . 1]" 2
39 1 8 DC O2 1 17 DG H21 2.000 . 2.200 2.088 1.955 2.147 . 0 0 "[ . 1]" 2
40 1 8 DC O2 1 17 DG N2 2.900 2.700 3.100 3.092 2.961 3.149 0.049 9 0 "[ . 1]" 2
41 1 8 DC N3 1 17 DG H1 2.000 . 2.200 2.010 1.946 2.114 . 0 0 "[ . 1]" 2
42 1 8 DC N3 1 17 DG N1 2.900 2.700 3.100 3.013 2.955 3.117 0.017 8 0 "[ . 1]" 2
43 1 8 DC H41 1 17 DG O6 2.000 . 2.200 1.819 1.770 2.035 0.030 2 0 "[ . 1]" 2
44 1 8 DC N4 1 17 DG O6 2.900 2.700 3.100 2.824 2.772 3.043 . 0 0 "[ . 1]" 2
45 1 9 DG H21 1 16 DC O2 2.000 . 2.200 1.911 1.780 2.136 0.020 9 0 "[ . 1]" 2
46 1 9 DG N2 1 16 DC O2 2.900 2.700 3.100 2.902 2.772 3.111 0.011 3 0 "[ . 1]" 2
47 1 9 DG H1 1 16 DC N3 2.000 . 2.200 1.874 1.766 1.998 0.034 9 0 "[ . 1]" 2
48 1 9 DG N1 1 16 DC N3 2.900 2.700 3.100 2.869 2.740 2.984 . 0 0 "[ . 1]" 2
49 1 9 DG O6 1 16 DC H41 2.000 . 2.200 1.774 1.759 1.809 0.041 3 0 "[ . 1]" 2
50 1 9 DG O6 1 16 DC N4 2.900 2.700 3.100 2.749 2.696 2.782 0.004 8 0 "[ . 1]" 2
51 1 10 DC O2 1 15 DG H21 2.000 . 2.200 1.980 1.775 2.114 0.025 6 0 "[ . 1]" 2
52 1 10 DC O2 1 15 DG N2 2.900 2.700 3.100 2.986 2.779 3.124 0.024 1 0 "[ . 1]" 2
53 1 10 DC N3 1 15 DG H1 2.000 . 2.200 2.004 1.886 2.070 . 0 0 "[ . 1]" 2
54 1 10 DC N3 1 15 DG N1 2.900 2.700 3.100 2.998 2.861 3.071 . 0 0 "[ . 1]" 2
55 1 10 DC H41 1 15 DG O6 2.000 . 2.200 1.997 1.784 2.201 0.016 1 0 "[ . 1]" 2
56 1 10 DC N4 1 15 DG O6 2.900 2.700 3.100 2.947 2.687 3.138 0.038 9 0 "[ . 1]" 2
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