NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631185 |
5z80   |
36159 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5z80
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 466
_Distance_constraint_stats_list.Viol_count 521
_Distance_constraint_stats_list.Viol_total 1692.096
_Distance_constraint_stats_list.Viol_max 1.396
_Distance_constraint_stats_list.Viol_rms 0.1425
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0363
_Distance_constraint_stats_list.Viol_average_violations_only 0.3248
_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 DA 13.684 1.246 6 9 "[**-**+** *]"
1 2 DA 25.325 1.284 7 10 [**-***+***]
1 3 DA 16.737 1.284 7 8 [*-**.*+**1]
1 4 DG 7.260 0.486 7 0 "[ . 1]"
1 5 DG 9.309 0.499 10 0 "[ . 1]"
1 6 DG 2.202 0.499 10 0 "[ . 1]"
1 7 DT 8.508 1.067 10 10 [********-+]
1 8 DT 8.160 0.873 10 10 [******-**+]
1 9 DA 5.533 1.023 6 5 "[*-* .+ * 1]"
1 10 DG 1.375 0.472 8 0 "[ . 1]"
1 11 DG 0.499 0.149 7 0 "[ . 1]"
1 12 DG 7.800 0.787 6 4 "[ * .+ - *]"
1 13 DT 0.000 0.000 . 0 "[ . 1]"
1 14 DT 11.989 0.620 2 2 "[ + . - 1]"
1 15 DA 20.276 1.208 1 10 [+*********]
1 16 DG 13.315 1.208 1 10 [+*********]
1 17 DG 0.920 0.166 1 0 "[ . 1]"
1 18 DG 7.048 0.956 3 4 "[ *+*. * 1]"
1 19 DT 14.140 1.396 1 9 [+******-*1]
1 20 DT 25.701 1.396 1 10 [+*****-***]
1 21 DA 30.061 1.194 1 10 [+*****-***]
1 22 DG 3.072 0.468 1 0 "[ . 1]"
1 23 DG 1.580 0.204 7 0 "[ . 1]"
1 24 DG 9.463 0.521 7 2 "[ - + 1]"
1 25 DA 28.723 1.179 1 10 [+***-*****]
1 26 DA 19.239 1.179 1 10 [+***-*****]
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 DA H1' 1 1 DA H8 2.570 2.060 3.080 2.554 2.551 2.557 . 0 0 "[ . 1]" 1
2 1 1 DA H1' 1 1 DA H2' 2.840 2.280 3.400 2.880 2.864 2.917 . 0 0 "[ . 1]" 1
3 1 1 DA H2' 1 1 DA H8 4.300 3.440 5.160 4.081 4.042 4.153 . 0 0 "[ . 1]" 1
4 1 1 DA H1' 1 1 DA H2'' 2.300 2.060 2.760 2.258 2.252 2.263 . 0 0 "[ . 1]" 1
5 1 1 DA H2'' 1 1 DA H8 4.000 3.200 4.800 4.267 4.238 4.297 . 0 0 "[ . 1]" 1
6 1 1 DA H1' 1 1 DA H3' 4.000 3.200 4.800 3.909 3.896 3.921 . 0 0 "[ . 1]" 1
7 1 1 DA H3' 1 1 DA H8 5.500 4.400 6.600 5.613 5.559 5.693 . 0 0 "[ . 1]" 1
8 1 1 DA H1' 1 1 DA H4' 3.200 2.560 3.840 2.977 2.878 3.036 . 0 0 "[ . 1]" 1
9 1 1 DA H4' 1 1 DA H8 5.530 4.420 6.640 5.424 5.333 5.477 . 0 0 "[ . 1]" 1
10 1 2 DA H1' 1 2 DA H8 3.880 3.120 4.640 3.672 3.606 3.901 . 0 0 "[ . 1]" 1
11 1 2 DA H1' 1 2 DA Q2' . 2.390 2.920 2.239 2.195 2.335 0.195 5 0 "[ . 1]" 1
12 1 2 DA H1' 1 2 DA H3' 3.800 3.040 4.560 3.872 3.786 3.915 . 0 0 "[ . 1]" 1
13 1 2 DA H3' 1 2 DA H8 4.000 3.200 4.800 3.818 3.345 4.598 . 0 0 "[ . 1]" 1
14 1 2 DA H1' 1 2 DA H4' 3.200 2.560 3.840 3.016 2.594 3.263 . 0 0 "[ . 1]" 1
15 1 2 DA H4' 1 2 DA H8 4.940 3.940 5.940 4.521 4.392 4.919 . 0 0 "[ . 1]" 1
16 1 2 DA H5' 1 2 DA H8 4.740 3.790 5.690 4.808 4.330 5.437 . 0 0 "[ . 1]" 1
17 1 2 DA H1' 1 2 DA H5'' 4.350 3.470 5.230 4.622 4.518 4.716 . 0 0 "[ . 1]" 1
18 1 2 DA H5'' 1 2 DA H8 3.050 2.440 3.660 3.319 2.741 4.269 0.609 9 1 "[ . +1]" 1
19 1 3 DA H1' 1 3 DA H8 3.860 3.090 4.630 3.710 3.647 3.878 . 0 0 "[ . 1]" 1
20 1 3 DA H1' 1 3 DA H2' 2.830 2.270 3.390 2.937 2.845 3.007 . 0 0 "[ . 1]" 1
21 1 3 DA H2' 1 3 DA H8 3.210 2.570 3.850 3.785 2.813 4.003 0.153 7 0 "[ . 1]" 1
22 1 3 DA H1' 1 3 DA H2'' 2.300 . 2.760 2.306 2.296 2.332 . 0 0 "[ . 1]" 1
23 1 3 DA H2'' 1 3 DA H8 4.300 3.440 5.160 4.733 4.226 4.849 . 0 0 "[ . 1]" 1
24 1 3 DA H1' 1 3 DA H3' 3.880 3.120 4.640 3.916 3.891 3.934 . 0 0 "[ . 1]" 1
25 1 3 DA H3' 1 3 DA H8 3.410 2.710 4.110 3.744 2.792 4.138 0.028 10 0 "[ . 1]" 1
26 1 3 DA H1' 1 3 DA H4' 3.070 2.460 3.680 2.904 2.712 3.257 . 0 0 "[ . 1]" 1
27 1 3 DA H4' 1 3 DA H8 4.400 3.520 5.280 4.526 4.369 4.751 . 0 0 "[ . 1]" 1
28 1 3 DA H1' 1 3 DA H5' 4.680 3.750 5.610 5.025 4.894 5.204 . 0 0 "[ . 1]" 1
29 1 3 DA H1' 1 3 DA H5'' 5.180 4.140 6.220 4.651 4.538 4.696 . 0 0 "[ . 1]" 1
30 1 3 DA H5' 1 3 DA H8 4.550 3.640 5.460 4.897 4.336 5.206 . 0 0 "[ . 1]" 1
31 1 3 DA H5'' 1 3 DA H8 4.520 3.620 5.420 3.417 2.690 3.713 0.930 7 2 "[ . + -1]" 1
32 1 8 DT H1' 1 8 DT H6 3.880 3.100 4.660 3.739 3.701 3.769 . 0 0 "[ . 1]" 1
33 1 8 DT H1' 1 8 DT H2' 3.000 2.400 3.600 3.051 3.043 3.057 . 0 0 "[ . 1]" 1
34 1 8 DT H1' 1 8 DT H2'' 2.400 . 2.900 2.439 2.423 2.451 . 0 0 "[ . 1]" 1
35 1 8 DT H2' 1 8 DT H3' 2.500 2.200 2.800 2.359 2.314 2.410 . 0 0 "[ . 1]" 1
36 1 8 DT H2'' 1 8 DT H3' 2.700 2.160 3.240 2.781 2.727 2.838 . 0 0 "[ . 1]" 1
37 1 8 DT H2' 1 8 DT H6 3.200 2.560 3.840 2.912 2.692 3.171 . 0 0 "[ . 1]" 1
38 1 8 DT H2'' 1 8 DT H6 4.360 3.890 4.830 4.220 4.063 4.397 . 0 0 "[ . 1]" 1
39 1 8 DT H1' 1 8 DT H3' 3.680 2.940 4.420 3.825 3.803 3.846 . 0 0 "[ . 1]" 1
40 1 8 DT H3' 1 8 DT H6 5.000 4.000 6.000 4.473 4.411 4.538 . 0 0 "[ . 1]" 1
41 1 8 DT H1' 1 8 DT H4' 3.400 2.720 4.080 2.775 2.477 3.105 0.243 10 0 "[ . 1]" 1
42 1 8 DT H4' 1 8 DT H6 4.300 3.440 5.160 4.453 4.387 4.567 . 0 0 "[ . 1]" 1
43 1 8 DT H1' 1 8 DT Q5' 5.000 4.000 5.280 4.104 4.060 4.152 . 0 0 "[ . 1]" 1
44 1 8 DT Q5' 1 8 DT H6 . 3.520 3.600 3.593 2.769 4.473 0.873 10 10 [******-**+] 1
45 1 19 DT H1' 1 19 DT H6 3.520 2.820 4.220 3.707 3.678 3.728 . 0 0 "[ . 1]" 1
46 1 19 DT H1' 1 19 DT H2' 3.020 2.420 3.620 3.048 3.041 3.051 . 0 0 "[ . 1]" 1
47 1 19 DT H2' 1 19 DT H6 3.500 2.800 4.200 3.102 2.937 3.259 . 0 0 "[ . 1]" 1
48 1 19 DT H1' 1 19 DT H2'' 2.320 . 2.780 2.446 2.433 2.454 . 0 0 "[ . 1]" 1
49 1 19 DT H2'' 1 19 DT H6 5.000 4.000 6.000 4.372 4.268 4.468 . 0 0 "[ . 1]" 1
50 1 19 DT H1' 1 19 DT H3' 3.790 3.030 4.550 3.841 3.823 3.855 . 0 0 "[ . 1]" 1
51 1 19 DT H3' 1 19 DT H6 4.700 3.760 5.640 4.497 4.263 4.678 . 0 0 "[ . 1]" 1
52 1 19 DT H1' 1 19 DT H4' 3.900 3.120 4.680 2.733 2.644 2.975 0.476 1 0 "[ . 1]" 1
53 1 19 DT H4' 1 19 DT H6 3.930 3.140 4.720 4.386 4.347 4.433 . 0 0 "[ . 1]" 1
54 1 20 DT H1' 1 20 DT H6 3.800 3.040 4.560 3.695 3.631 3.762 . 0 0 "[ . 1]" 1
55 1 20 DT H1' 1 20 DT Q2' . 2.400 2.990 2.365 2.342 2.379 0.058 10 0 "[ . 1]" 1
56 1 20 DT H1' 1 20 DT H3' 3.780 2.990 4.570 3.787 3.731 3.857 . 0 0 "[ . 1]" 1
57 1 20 DT H3' 1 20 DT H6 4.130 3.300 4.960 4.837 4.403 5.059 0.099 6 0 "[ . 1]" 1
58 1 20 DT H1' 1 20 DT H4' 3.100 2.500 3.700 2.790 2.681 3.113 . 0 0 "[ . 1]" 1
59 1 20 DT H4' 1 20 DT H6 4.680 3.750 5.610 4.476 4.344 4.549 . 0 0 "[ . 1]" 1
60 1 20 DT H1' 1 20 DT H5'' 4.410 3.530 5.290 4.490 4.388 4.536 . 0 0 "[ . 1]" 1
61 1 20 DT H1' 1 20 DT H5' 4.710 3.770 5.650 4.843 4.773 4.961 . 0 0 "[ . 1]" 1
62 1 20 DT H5'' 1 20 DT H6 4.480 3.580 5.380 3.652 3.386 3.845 0.194 4 0 "[ . 1]" 1
63 1 20 DT H5' 1 20 DT H6 5.340 4.280 6.400 5.090 4.826 5.259 . 0 0 "[ . 1]" 1
64 1 21 DA H1' 1 21 DA H8 3.870 3.110 4.630 3.883 3.876 3.888 . 0 0 "[ . 1]" 1
65 1 21 DA H1' 1 21 DA H2' 3.300 2.700 3.900 2.923 2.802 3.008 . 0 0 "[ . 1]" 1
66 1 21 DA H2' 1 21 DA H8 2.700 2.160 3.240 2.871 2.676 3.143 . 0 0 "[ . 1]" 1
67 1 21 DA H1' 1 21 DA H2'' 2.280 . 2.740 2.314 2.295 2.336 . 0 0 "[ . 1]" 1
68 1 21 DA H2'' 1 21 DA H8 4.200 3.390 5.010 4.192 4.144 4.260 . 0 0 "[ . 1]" 1
69 1 21 DA H1' 1 21 DA H3' 3.870 3.120 4.620 3.933 3.903 3.991 . 0 0 "[ . 1]" 1
70 1 21 DA H3' 1 21 DA H8 3.700 2.980 4.420 3.202 2.366 4.157 0.614 4 4 "[ -*+. * 1]" 1
71 1 21 DA H1' 1 21 DA H4' 3.500 2.800 4.200 3.069 2.679 3.622 0.121 10 0 "[ . 1]" 1
72 1 21 DA H4' 1 21 DA H8 4.630 3.720 5.540 4.561 4.325 4.810 . 0 0 "[ . 1]" 1
73 1 21 DA H1' 1 21 DA Q5' 5.300 4.640 6.360 4.349 4.160 4.480 0.480 8 0 "[ . 1]" 1
74 1 4 DG H1' 1 4 DG H2' 3.000 2.400 3.600 3.040 3.032 3.047 . 0 0 "[ . 1]" 1
75 1 4 DG H1' 1 4 DG H2'' 2.380 . 2.860 2.443 2.394 2.472 . 0 0 "[ . 1]" 1
76 1 4 DG H1' 1 4 DG H4' 3.120 2.500 3.740 2.727 2.515 2.819 . 0 0 "[ . 1]" 1
77 1 4 DG H1' 1 4 DG H5' 4.600 3.680 5.520 4.812 4.735 4.851 . 0 0 "[ . 1]" 1
78 1 4 DG H1' 1 4 DG H5'' 5.000 4.000 6.000 4.486 4.461 4.561 . 0 0 "[ . 1]" 1
79 1 4 DG H1' 1 4 DG H8 2.560 2.050 3.070 2.700 2.489 2.768 . 0 0 "[ . 1]" 1
80 1 4 DG H2' 1 4 DG H8 4.500 3.600 5.400 4.741 4.540 4.776 . 0 0 "[ . 1]" 1
81 1 4 DG H2'' 1 4 DG H8 4.230 3.380 5.080 4.728 4.194 4.825 . 0 0 "[ . 1]" 1
82 1 4 DG H3' 1 4 DG H8 6.000 4.800 7.200 5.952 5.916 5.988 . 0 0 "[ . 1]" 1
83 1 4 DG H4' 1 4 DG H8 5.300 4.240 6.360 4.568 4.483 4.803 . 0 0 "[ . 1]" 1
84 1 4 DG H5' 1 4 DG H8 6.050 4.840 7.260 6.456 6.350 6.930 . 0 0 "[ . 1]" 1
85 1 4 DG H5'' 1 4 DG H8 5.000 4.000 6.000 5.706 5.519 6.467 0.467 6 0 "[ . 1]" 1
86 1 5 DG H1' 1 5 DG H8 3.570 2.860 4.280 3.776 3.672 3.865 . 0 0 "[ . 1]" 1
87 1 5 DG H1' 1 5 DG H2' 3.000 2.400 3.600 3.014 2.954 3.040 . 0 0 "[ . 1]" 1
88 1 5 DG H2' 1 5 DG H8 3.100 2.480 3.720 3.230 2.734 3.767 0.047 9 0 "[ . 1]" 1
89 1 5 DG H1' 1 5 DG H2'' 2.300 . 2.760 2.364 2.291 2.406 . 0 0 "[ . 1]" 1
90 1 5 DG H2'' 1 5 DG H8 4.000 3.200 4.800 4.441 4.113 4.782 . 0 0 "[ . 1]" 1
91 1 5 DG H1' 1 5 DG H3' 4.000 3.200 4.800 3.895 3.847 3.941 . 0 0 "[ . 1]" 1
92 1 5 DG H3' 1 5 DG H8 3.800 3.040 4.560 4.397 3.889 4.606 0.046 2 0 "[ . 1]" 1
93 1 5 DG H1' 1 5 DG H4' 3.200 2.560 3.840 3.086 2.765 3.440 . 0 0 "[ . 1]" 1
94 1 5 DG H4' 1 5 DG H8 4.800 3.840 5.760 4.520 4.457 4.575 . 0 0 "[ . 1]" 1
95 1 5 DG H1' 1 5 DG H5' 4.660 3.730 5.590 4.990 4.921 5.061 . 0 0 "[ . 1]" 1
96 1 5 DG H5' 1 5 DG H8 4.340 3.470 5.210 4.700 4.223 5.107 . 0 0 "[ . 1]" 1
97 1 5 DG H5'' 1 5 DG H8 3.000 2.400 3.600 3.210 2.580 3.805 0.205 7 0 "[ . 1]" 1
98 1 6 DG H1' 1 6 DG H8 3.800 3.000 4.600 3.855 3.679 3.892 . 0 0 "[ . 1]" 1
99 1 6 DG H1' 1 6 DG H2' 2.930 2.340 3.520 3.011 3.006 3.023 . 0 0 "[ . 1]" 1
100 1 6 DG H2' 1 6 DG H8 3.700 2.960 4.440 3.045 2.827 3.641 0.133 2 0 "[ . 1]" 1
101 1 6 DG H1' 1 6 DG H2'' 2.160 . 2.590 2.365 2.359 2.380 . 0 0 "[ . 1]" 1
102 1 6 DG H2'' 1 6 DG H8 4.000 3.200 4.800 4.380 4.238 4.729 . 0 0 "[ . 1]" 1
103 1 6 DG H1' 1 6 DG H3' 4.000 3.200 4.800 3.942 3.908 3.969 . 0 0 "[ . 1]" 1
104 1 6 DG H3' 1 6 DG H4' 2.830 2.260 3.400 2.789 2.758 2.999 . 0 0 "[ . 1]" 1
105 1 6 DG H3' 1 6 DG H5' 2.700 2.160 3.240 2.751 2.709 2.857 . 0 0 "[ . 1]" 1
106 1 6 DG H3' 1 6 DG H5'' 2.510 2.010 3.010 2.603 2.483 2.649 . 0 0 "[ . 1]" 1
107 1 6 DG H3' 1 6 DG H8 4.000 3.160 4.840 4.558 4.437 4.681 . 0 0 "[ . 1]" 1
108 1 6 DG H1' 1 6 DG H4' 3.300 2.640 3.960 3.460 2.723 3.581 . 0 0 "[ . 1]" 1
109 1 6 DG H4' 1 6 DG H8 5.000 3.960 6.040 4.431 4.318 4.545 . 0 0 "[ . 1]" 1
110 1 6 DG H1' 1 6 DG H5' 4.700 3.760 5.640 5.082 4.896 5.115 . 0 0 "[ . 1]" 1
111 1 6 DG H5' 1 6 DG H8 4.900 3.920 5.880 4.186 3.972 5.169 . 0 0 "[ . 1]" 1
112 1 6 DG H1' 1 6 DG H5'' 5.000 4.000 6.000 4.337 4.287 4.598 . 0 0 "[ . 1]" 1
113 1 6 DG H5'' 1 6 DG H8 3.000 2.400 3.600 2.693 2.461 3.776 0.176 10 0 "[ . 1]" 1
114 1 7 DT H1' 1 7 DT H6 3.540 2.830 4.250 3.720 3.700 3.760 . 0 0 "[ . 1]" 1
115 1 7 DT Q2' 1 7 DT H6 . 3.930 4.200 3.108 2.863 3.204 1.067 10 10 [********-+] 1
116 1 7 DT H3' 1 7 DT H6 4.350 3.470 5.230 4.892 4.613 4.981 . 0 0 "[ . 1]" 1
117 1 7 DT H4' 1 7 DT H6 3.910 3.130 4.690 4.453 4.437 4.486 . 0 0 "[ . 1]" 1
118 1 10 DG H1' 1 10 DG H8 2.500 . 3.000 2.467 2.450 2.501 . 0 0 "[ . 1]" 1
119 1 10 DG H1' 1 10 DG H2' 3.080 2.460 3.700 3.016 3.007 3.027 . 0 0 "[ . 1]" 1
120 1 10 DG H2' 1 10 DG H8 4.500 3.600 5.400 4.475 4.455 4.494 . 0 0 "[ . 1]" 1
121 1 10 DG H1' 1 10 DG H2'' 2.270 . 2.730 2.412 2.392 2.422 . 0 0 "[ . 1]" 1
122 1 10 DG H2'' 1 10 DG H8 4.000 3.200 4.800 3.981 3.943 4.074 . 0 0 "[ . 1]" 1
123 1 10 DG H1' 1 10 DG H3' 3.900 3.120 4.680 3.787 3.767 3.818 . 0 0 "[ . 1]" 1
124 1 10 DG H3' 1 10 DG H8 5.880 4.690 7.070 5.996 5.974 6.033 . 0 0 "[ . 1]" 1
125 1 10 DG H1' 1 10 DG H4' 3.130 2.500 3.760 2.873 2.798 2.963 . 0 0 "[ . 1]" 1
126 1 10 DG H4' 1 10 DG H8 5.550 4.440 6.660 5.187 5.102 5.300 . 0 0 "[ . 1]" 1
127 1 11 DG H1' 1 11 DG H8 3.900 3.120 4.680 3.904 3.898 3.909 . 0 0 "[ . 1]" 1
128 1 11 DG H1' 1 11 DG H2' 2.970 2.370 3.570 2.968 2.963 2.974 . 0 0 "[ . 1]" 1
129 1 11 DG H2' 1 11 DG H8 2.600 2.080 3.120 2.764 2.714 2.814 . 0 0 "[ . 1]" 1
130 1 11 DG H1' 1 11 DG H2'' 2.400 . 2.880 2.278 2.271 2.286 . 0 0 "[ . 1]" 1
131 1 11 DG H2'' 1 11 DG H8 4.100 3.280 4.920 4.195 4.164 4.230 . 0 0 "[ . 1]" 1
132 1 11 DG H1' 1 11 DG H3' 3.900 3.120 4.680 3.827 3.815 3.844 . 0 0 "[ . 1]" 1
133 1 11 DG H3' 1 11 DG H8 3.700 2.960 4.440 3.190 3.159 3.253 . 0 0 "[ . 1]" 1
134 1 11 DG H1' 1 11 DG H4' 2.900 2.320 3.480 2.643 2.614 2.696 . 0 0 "[ . 1]" 1
135 1 11 DG H4' 1 11 DG H8 4.900 3.920 5.880 4.840 4.816 4.858 . 0 0 "[ . 1]" 1
136 1 11 DG H1' 1 11 DG H5' 4.500 3.600 5.400 4.482 4.462 4.504 . 0 0 "[ . 1]" 1
137 1 11 DG H1' 1 11 DG H5'' 4.990 3.990 5.990 4.908 4.888 4.943 . 0 0 "[ . 1]" 1
138 1 11 DG H5' 1 11 DG H8 4.700 3.760 5.640 5.186 5.079 5.237 . 0 0 "[ . 1]" 1
139 1 11 DG H5'' 1 11 DG H8 5.330 4.260 6.400 5.279 5.203 5.336 . 0 0 "[ . 1]" 1
140 1 12 DG H1' 1 12 DG H8 3.710 2.970 4.450 3.839 3.799 3.893 . 0 0 "[ . 1]" 1
141 1 12 DG H1' 1 12 DG H2' 3.000 2.400 3.600 2.990 2.949 3.037 . 0 0 "[ . 1]" 1
142 1 12 DG H2' 1 12 DG H3' 2.240 . 2.690 2.299 2.270 2.339 . 0 0 "[ . 1]" 1
143 1 12 DG H2' 1 12 DG H8 3.000 2.400 3.600 3.086 2.574 3.412 . 0 0 "[ . 1]" 1
144 1 12 DG H1' 1 12 DG H2'' 2.250 . 2.700 2.338 2.298 2.406 . 0 0 "[ . 1]" 1
145 1 12 DG H2'' 1 12 DG H8 4.000 3.200 4.800 4.381 4.001 4.578 . 0 0 "[ . 1]" 1
146 1 12 DG H1' 1 12 DG H3' 3.900 3.120 4.680 3.948 3.878 3.986 . 0 0 "[ . 1]" 1
147 1 12 DG H3' 1 12 DG H8 3.960 3.170 4.750 3.864 3.582 4.359 . 0 0 "[ . 1]" 1
148 1 12 DG H1' 1 12 DG H4' 3.420 2.740 4.100 2.958 2.836 3.147 . 0 0 "[ . 1]" 1
149 1 12 DG H4' 1 12 DG H8 5.330 4.260 6.400 4.619 4.566 4.779 . 0 0 "[ . 1]" 1
150 1 12 DG H5' 1 12 DG H8 4.990 3.990 5.990 4.820 4.664 4.962 . 0 0 "[ . 1]" 1
151 1 12 DG H5'' 1 12 DG H8 3.200 2.560 3.840 3.234 2.998 3.422 . 0 0 "[ . 1]" 1
152 1 13 DT H1' 1 13 DT H6 3.200 2.560 3.840 3.705 3.648 3.760 . 0 0 "[ . 1]" 1
153 1 13 DT H2' 1 13 DT H6 3.600 2.880 4.320 3.218 2.944 3.463 . 0 0 "[ . 1]" 1
154 1 13 DT H2'' 1 13 DT H6 4.800 3.840 5.760 4.431 4.262 4.585 . 0 0 "[ . 1]" 1
155 1 13 DT H3' 1 13 DT H6 4.500 3.600 5.400 4.669 4.352 5.083 . 0 0 "[ . 1]" 1
156 1 13 DT H4' 1 13 DT H6 4.000 3.200 4.800 4.465 4.302 4.545 . 0 0 "[ . 1]" 1
157 1 14 DT H1' 1 14 DT H6 3.600 2.880 4.320 3.467 3.411 3.519 . 0 0 "[ . 1]" 1
158 1 14 DT H1' 1 14 DT H2' 2.970 2.370 3.570 3.050 3.046 3.051 . 0 0 "[ . 1]" 1
159 1 14 DT H2' 1 14 DT H6 3.400 2.720 4.080 3.874 3.774 3.968 . 0 0 "[ . 1]" 1
160 1 14 DT H1' 1 14 DT H2'' 2.290 . 2.750 2.461 2.450 2.466 . 0 0 "[ . 1]" 1
161 1 14 DT H2'' 1 14 DT H6 4.960 3.970 5.950 4.778 4.736 4.814 . 0 0 "[ . 1]" 1
162 1 14 DT H1' 1 14 DT H3' 4.490 3.590 5.390 3.791 3.769 3.815 . 0 0 "[ . 1]" 1
163 1 14 DT H3' 1 14 DT H6 4.500 3.600 5.400 5.208 5.096 5.311 . 0 0 "[ . 1]" 1
164 1 14 DT H4' 1 14 DT H6 4.010 3.210 4.810 4.300 4.250 4.346 . 0 0 "[ . 1]" 1
165 1 14 DT H5' 1 14 DT H6 3.200 2.560 3.840 4.194 4.120 4.260 0.420 7 0 "[ . 1]" 1
166 1 14 DT H5'' 1 14 DT H6 4.850 3.880 5.820 5.415 5.350 5.467 . 0 0 "[ . 1]" 1
167 1 15 DA H1' 1 15 DA H8 3.880 3.120 4.640 3.602 3.562 3.619 . 0 0 "[ . 1]" 1
168 1 15 DA H1' 1 15 DA H2' 3.130 2.500 3.760 3.003 2.981 3.022 . 0 0 "[ . 1]" 1
169 1 15 DA H2' 1 15 DA H8 3.670 2.940 4.400 3.913 3.835 4.017 . 0 0 "[ . 1]" 1
170 1 15 DA H1' 1 15 DA H2'' 2.400 . 2.880 2.379 2.356 2.403 . 0 0 "[ . 1]" 1
171 1 15 DA H2'' 1 15 DA H8 4.800 3.840 5.760 4.879 4.835 4.928 . 0 0 "[ . 1]" 1
172 1 15 DA H1' 1 15 DA H3' 4.270 3.420 5.120 3.988 3.940 4.041 . 0 0 "[ . 1]" 1
173 1 15 DA H3' 1 15 DA H8 4.700 3.760 5.640 5.046 4.991 5.105 . 0 0 "[ . 1]" 1
174 1 15 DA H1' 1 15 DA H4' 3.500 2.800 4.200 3.499 3.208 3.730 . 0 0 "[ . 1]" 1
175 1 15 DA H4' 1 15 DA H8 4.500 3.600 5.400 4.357 4.181 4.532 . 0 0 "[ . 1]" 1
176 1 15 DA Q5' 1 15 DA H8 3.000 2.800 3.600 2.845 2.537 3.181 0.263 10 0 "[ . 1]" 1
177 1 15 DA H1' 1 15 DA Q5' 5.000 4.000 6.000 3.941 3.852 4.030 0.148 6 0 "[ . 1]" 1
178 1 16 DG H1' 1 16 DG H8 2.500 . 3.000 2.591 2.493 2.687 . 0 0 "[ . 1]" 1
179 1 16 DG H1' 1 16 DG H2' 3.000 2.400 3.600 3.030 3.014 3.048 . 0 0 "[ . 1]" 1
180 1 16 DG H2' 1 16 DG H8 4.800 3.840 5.760 4.704 4.646 4.751 . 0 0 "[ . 1]" 1
181 1 16 DG H1' 1 16 DG H2'' 2.310 . 2.770 2.447 2.393 2.499 . 0 0 "[ . 1]" 1
182 1 16 DG H2'' 1 16 DG H8 4.800 3.840 5.760 4.511 4.227 4.785 . 0 0 "[ . 1]" 1
183 1 16 DG H1' 1 16 DG H3' 3.870 3.100 4.640 3.829 3.774 3.886 . 0 0 "[ . 1]" 1
184 1 16 DG H3' 1 16 DG H8 6.000 4.800 7.200 6.072 6.029 6.111 . 0 0 "[ . 1]" 1
185 1 16 DG H1' 1 16 DG H4' 3.150 2.520 3.780 3.104 2.761 3.426 . 0 0 "[ . 1]" 1
186 1 16 DG H4' 1 16 DG H8 5.420 4.340 6.500 4.949 4.773 5.190 . 0 0 "[ . 1]" 1
187 1 16 DG H1' 1 16 DG H5' 4.940 3.950 5.930 4.967 4.848 5.067 . 0 0 "[ . 1]" 1
188 1 16 DG H1' 1 16 DG H5'' 4.200 3.360 5.040 4.444 4.336 4.510 . 0 0 "[ . 1]" 1
189 1 17 DG H1' 1 17 DG H8 2.560 2.050 3.070 2.537 2.508 2.575 . 0 0 "[ . 1]" 1
190 1 17 DG H1' 1 17 DG H2' 3.000 2.400 3.600 3.011 3.006 3.019 . 0 0 "[ . 1]" 1
191 1 17 DG H2' 1 17 DG H8 4.400 3.520 5.280 4.138 4.019 4.245 . 0 0 "[ . 1]" 1
192 1 17 DG H1' 1 17 DG H2'' 2.340 . 2.820 2.398 2.385 2.415 . 0 0 "[ . 1]" 1
193 1 17 DG H2'' 1 17 DG H8 3.800 3.040 4.560 3.636 3.518 3.722 . 0 0 "[ . 1]" 1
194 1 17 DG H1' 1 17 DG H3' 4.000 3.200 4.800 3.860 3.833 3.884 . 0 0 "[ . 1]" 1
195 1 17 DG H3' 1 17 DG H8 6.000 4.800 7.200 5.860 5.798 5.912 . 0 0 "[ . 1]" 1
196 1 17 DG H1' 1 17 DG H4' 3.350 2.680 4.020 3.182 3.042 3.290 . 0 0 "[ . 1]" 1
197 1 17 DG H4' 1 17 DG H8 5.520 4.420 6.620 5.642 5.492 5.756 . 0 0 "[ . 1]" 1
198 1 17 DG H1' 1 17 DG H5' 4.340 3.470 5.210 4.992 4.939 5.034 . 0 0 "[ . 1]" 1
199 1 17 DG H1' 1 17 DG H5'' 4.650 3.720 5.580 4.384 4.358 4.417 . 0 0 "[ . 1]" 1
200 1 17 DG H5'' 1 17 DG H8 6.000 4.800 7.200 6.092 5.983 6.225 . 0 0 "[ . 1]" 1
201 1 18 DG H1' 1 18 DG H8 3.890 3.110 4.670 3.891 3.880 3.897 . 0 0 "[ . 1]" 1
202 1 18 DG H1' 1 18 DG H2' 2.950 2.360 3.540 2.978 2.962 3.013 . 0 0 "[ . 1]" 1
203 1 18 DG H1' 1 18 DG H2'' 2.300 . 2.760 2.308 2.291 2.364 . 0 0 "[ . 1]" 1
204 1 18 DG H2' 1 18 DG H3' 2.290 . 2.750 2.284 2.278 2.291 . 0 0 "[ . 1]" 1
205 1 18 DG H2'' 1 18 DG H3' 2.900 2.320 3.480 2.907 2.875 2.928 . 0 0 "[ . 1]" 1
206 1 18 DG H2' 1 18 DG H8 2.640 2.110 3.170 2.844 2.667 2.934 . 0 0 "[ . 1]" 1
207 1 18 DG H2'' 1 18 DG H8 4.110 3.290 4.930 4.254 4.119 4.314 . 0 0 "[ . 1]" 1
208 1 18 DG H1' 1 18 DG H3' 3.920 3.140 4.700 3.969 3.950 3.982 . 0 0 "[ . 1]" 1
209 1 18 DG H3' 1 18 DG H8 3.580 2.880 4.280 3.653 3.539 3.885 . 0 0 "[ . 1]" 1
210 1 18 DG H1' 1 18 DG H4' 2.980 2.390 3.570 2.945 2.856 3.006 . 0 0 "[ . 1]" 1
211 1 18 DG H4' 1 18 DG H8 4.900 3.900 5.900 4.719 4.666 4.793 . 0 0 "[ . 1]" 1
212 1 18 DG H1' 1 18 DG H5' 4.580 3.660 5.500 5.021 4.959 5.059 . 0 0 "[ . 1]" 1
213 1 18 DG H5' 1 18 DG H8 4.730 3.780 5.680 4.951 4.838 5.128 . 0 0 "[ . 1]" 1
214 1 18 DG H1' 1 18 DG H5'' 5.020 3.980 6.060 4.638 4.614 4.656 . 0 0 "[ . 1]" 1
215 1 18 DG H5'' 1 18 DG H8 4.000 3.200 4.800 3.373 3.245 3.583 . 0 0 "[ . 1]" 1
216 1 22 DG H1' 1 22 DG H8 2.530 2.020 3.040 2.513 2.484 2.550 . 0 0 "[ . 1]" 1
217 1 22 DG H1' 1 22 DG H2' 2.920 2.340 3.500 3.004 2.997 3.015 . 0 0 "[ . 1]" 1
218 1 22 DG H2' 1 22 DG H8 4.380 3.520 5.240 4.355 4.296 4.431 . 0 0 "[ . 1]" 1
219 1 22 DG H1' 1 22 DG H2'' 2.240 . 2.700 2.361 2.350 2.377 . 0 0 "[ . 1]" 1
220 1 22 DG H2'' 1 22 DG H8 4.420 3.480 5.360 4.003 3.918 4.151 . 0 0 "[ . 1]" 1
221 1 22 DG H1' 1 22 DG H3' 4.000 3.200 4.800 3.894 3.861 3.918 . 0 0 "[ . 1]" 1
222 1 22 DG H3' 1 22 DG H8 6.000 4.800 7.200 6.028 5.996 6.052 . 0 0 "[ . 1]" 1
223 1 22 DG H1' 1 22 DG H4' 3.700 3.050 4.350 3.288 2.864 3.435 0.186 8 0 "[ . 1]" 1
224 1 22 DG H4' 1 22 DG H8 5.560 4.440 6.680 5.621 5.235 5.758 . 0 0 "[ . 1]" 1
225 1 22 DG H1' 1 22 DG H5' 5.000 4.000 6.000 5.025 4.937 5.070 . 0 0 "[ . 1]" 1
226 1 22 DG H1' 1 22 DG H5'' 4.430 3.560 5.300 4.386 4.316 4.555 . 0 0 "[ . 1]" 1
227 1 22 DG H5'' 1 22 DG H8 5.200 4.160 6.240 6.011 5.908 6.333 0.093 8 0 "[ . 1]" 1
228 1 23 DG H1' 1 23 DG H8 3.880 3.090 4.670 3.881 3.875 3.886 . 0 0 "[ . 1]" 1
229 1 23 DG H1' 1 23 DG H2' 2.970 2.390 3.550 3.020 3.015 3.025 . 0 0 "[ . 1]" 1
230 1 23 DG H2' 1 23 DG H8 3.100 2.480 3.720 2.591 2.538 2.658 . 0 0 "[ . 1]" 1
231 1 23 DG H1' 1 23 DG H2'' 2.260 . 2.710 2.403 2.392 2.416 . 0 0 "[ . 1]" 1
232 1 23 DG H2'' 1 23 DG H8 3.940 3.150 4.730 4.051 4.006 4.099 . 0 0 "[ . 1]" 1
233 1 23 DG H1' 1 23 DG H3' 3.910 3.130 4.690 3.933 3.907 3.947 . 0 0 "[ . 1]" 1
234 1 23 DG H3' 1 23 DG H8 3.600 2.880 4.320 3.992 3.911 4.097 . 0 0 "[ . 1]" 1
235 1 23 DG H1' 1 23 DG H4' 2.900 2.320 3.480 3.148 2.988 3.242 . 0 0 "[ . 1]" 1
236 1 23 DG H4' 1 23 DG H8 4.500 3.600 5.400 4.686 4.636 4.747 . 0 0 "[ . 1]" 1
237 1 23 DG H1' 1 23 DG H5' 5.000 4.000 6.000 5.055 4.994 5.087 . 0 0 "[ . 1]" 1
238 1 23 DG H1' 1 23 DG H5'' 4.420 3.540 5.300 4.525 4.491 4.581 . 0 0 "[ . 1]" 1
239 1 24 DG H1' 1 24 DG H8 3.880 3.090 4.670 3.887 3.884 3.892 . 0 0 "[ . 1]" 1
240 1 24 DG H1' 1 24 DG H2' 3.000 2.400 3.600 2.870 2.862 2.879 . 0 0 "[ . 1]" 1
241 1 24 DG H2' 1 24 DG H8 3.900 3.120 4.680 3.134 3.105 3.169 0.015 1 0 "[ . 1]" 1
242 1 24 DG H1' 1 24 DG H2'' 2.340 . 2.810 2.287 2.283 2.290 . 0 0 "[ . 1]" 1
243 1 24 DG H2'' 1 24 DG H8 4.600 3.680 5.520 4.328 4.301 4.362 . 0 0 "[ . 1]" 1
244 1 24 DG H1' 1 24 DG H3' 3.800 3.040 4.560 3.853 3.846 3.863 . 0 0 "[ . 1]" 1
245 1 24 DG H3' 1 24 DG H8 3.300 2.640 3.960 2.594 2.528 2.663 0.112 1 0 "[ . 1]" 1
246 1 24 DG H1' 1 24 DG H4' 3.000 2.400 3.600 2.900 2.862 2.932 . 0 0 "[ . 1]" 1
247 1 24 DG H4' 1 24 DG H8 5.100 4.080 6.120 4.571 4.546 4.604 . 0 0 "[ . 1]" 1
248 1 24 DG H1' 1 24 DG Q5' 4.540 3.920 5.450 4.257 4.244 4.269 . 0 0 "[ . 1]" 1
249 1 24 DG Q5' 1 24 DG H8 . 3.780 3.960 4.309 4.255 4.372 0.412 10 0 "[ . 1]" 1
250 1 25 DA H1' 1 25 DA H8 2.900 2.320 3.480 2.681 2.478 2.892 . 0 0 "[ . 1]" 1
251 1 25 DA H1' 1 25 DA Q2' . 2.400 2.760 2.284 2.253 2.309 0.147 9 0 "[ . 1]" 1
252 1 25 DA Q2' 1 25 DA H8 3.100 2.480 3.720 3.199 2.646 3.738 0.018 4 0 "[ . 1]" 1
253 1 25 DA H1' 1 25 DA H3' 3.850 3.100 4.600 3.825 3.773 3.865 . 0 0 "[ . 1]" 1
254 1 25 DA H3' 1 25 DA H8 5.220 4.180 6.260 5.597 5.146 6.022 . 0 0 "[ . 1]" 1
255 1 25 DA H1' 1 25 DA H4' 2.700 2.160 3.240 2.516 2.473 2.567 . 0 0 "[ . 1]" 1
256 1 25 DA H4' 1 25 DA H8 4.830 3.860 5.800 5.037 4.881 5.179 . 0 0 "[ . 1]" 1
257 1 25 DA H1' 1 25 DA H5'' 4.620 3.700 5.540 4.589 4.582 4.595 . 0 0 "[ . 1]" 1
258 1 25 DA H1' 1 25 DA H5' 4.200 3.360 5.040 4.745 4.710 4.771 . 0 0 "[ . 1]" 1
259 1 26 DA H1' 1 26 DA H8 3.880 3.090 4.670 3.907 3.901 3.913 . 0 0 "[ . 1]" 1
260 1 26 DA H1' 1 26 DA H2' 3.060 2.410 3.710 2.954 2.914 2.999 . 0 0 "[ . 1]" 1
261 1 26 DA H2' 1 26 DA H8 2.300 . 2.760 2.778 2.670 2.903 0.143 9 0 "[ . 1]" 1
262 1 26 DA H1' 1 26 DA H2'' 2.300 . 2.760 2.274 2.262 2.302 . 0 0 "[ . 1]" 1
263 1 26 DA H2'' 1 26 DA H8 3.800 3.040 4.560 4.191 4.130 4.247 . 0 0 "[ . 1]" 1
264 1 26 DA H1' 1 26 DA H3' 3.800 3.020 4.580 3.862 3.829 3.883 . 0 0 "[ . 1]" 1
265 1 26 DA H3' 1 26 DA H8 4.000 3.200 4.800 3.134 2.813 3.558 0.387 9 0 "[ . 1]" 1
266 1 26 DA H1' 1 26 DA H4' 3.000 2.400 3.600 2.744 2.590 2.909 . 0 0 "[ . 1]" 1
267 1 26 DA H4' 1 26 DA H8 5.000 4.000 6.000 4.811 4.699 4.918 . 0 0 "[ . 1]" 1
268 1 26 DA H1' 1 26 DA Q5' 4.300 3.820 5.160 4.181 4.097 4.261 . 0 0 "[ . 1]" 1
269 1 4 DG H8 1 5 DG H8 4.800 3.900 5.700 5.009 4.546 5.164 . 0 0 "[ . 1]" 1
270 1 5 DG H8 1 6 DG H8 5.600 4.440 6.760 5.828 5.581 6.000 . 0 0 "[ . 1]" 1
271 1 10 DG H8 1 11 DG H8 4.500 3.600 5.400 4.219 4.073 4.372 . 0 0 "[ . 1]" 1
272 1 11 DG H8 1 12 DG H8 5.000 4.050 5.950 4.816 4.593 4.919 . 0 0 "[ . 1]" 1
273 1 16 DG H8 1 17 DG H8 4.500 3.640 5.350 4.717 4.587 4.879 . 0 0 "[ . 1]" 1
274 1 17 DG H8 1 18 DG H8 4.700 3.760 5.640 4.944 4.906 4.986 . 0 0 "[ . 1]" 1
275 1 22 DG H8 1 23 DG H8 4.700 3.760 5.640 4.203 4.024 4.349 . 0 0 "[ . 1]" 1
276 1 23 DG H8 1 24 DG H8 5.000 4.000 6.000 4.975 4.921 5.051 . 0 0 "[ . 1]" 1
277 1 4 DG H1 1 10 DG H1 4.500 3.600 5.400 4.286 4.235 4.385 . 0 0 "[ . 1]" 1
278 1 10 DG H1 1 18 DG H1 4.500 3.600 5.400 4.563 4.515 4.626 . 0 0 "[ . 1]" 1
279 1 18 DG H1 1 22 DG H1 4.500 3.600 5.400 4.261 4.187 4.350 . 0 0 "[ . 1]" 1
280 1 4 DG H1 1 22 DG H1 4.500 3.600 5.400 4.368 4.334 4.459 . 0 0 "[ . 1]" 1
281 1 5 DG H1 1 11 DG H1 4.500 3.600 5.400 4.304 4.274 4.328 . 0 0 "[ . 1]" 1
282 1 11 DG H1 1 17 DG H1 4.500 3.600 5.400 4.355 4.324 4.423 . 0 0 "[ . 1]" 1
283 1 17 DG H1 1 23 DG H1 4.500 3.600 5.400 4.452 4.422 4.478 . 0 0 "[ . 1]" 1
284 1 5 DG H1 1 23 DG H1 4.500 3.600 5.400 4.336 4.243 4.402 . 0 0 "[ . 1]" 1
285 1 6 DG H1 1 12 DG H1 4.500 3.600 5.400 4.492 4.438 4.518 . 0 0 "[ . 1]" 1
286 1 12 DG H1 1 16 DG H1 4.500 3.600 5.400 4.317 4.266 4.403 . 0 0 "[ . 1]" 1
287 1 16 DG H1 1 24 DG H1 4.500 3.600 5.400 4.396 4.364 4.441 . 0 0 "[ . 1]" 1
288 1 6 DG H1 1 24 DG H1 4.500 3.600 5.400 4.133 4.106 4.197 . 0 0 "[ . 1]" 1
289 1 4 DG H1 1 22 DG H8 5.000 4.000 6.000 5.234 4.955 5.405 . 0 0 "[ . 1]" 1
290 1 18 DG H8 1 22 DG H1 5.000 4.000 6.000 5.553 5.308 5.727 . 0 0 "[ . 1]" 1
291 1 10 DG H8 1 18 DG H1 5.000 4.000 6.000 5.004 4.871 5.085 . 0 0 "[ . 1]" 1
292 1 4 DG H8 1 10 DG H1 5.000 4.000 6.000 5.268 5.016 5.411 . 0 0 "[ . 1]" 1
293 1 5 DG H1 1 11 DG H8 5.000 4.000 6.000 5.314 5.250 5.457 . 0 0 "[ . 1]" 1
294 1 11 DG H1 1 17 DG H8 5.000 4.000 6.000 5.365 5.267 5.461 . 0 0 "[ . 1]" 1
295 1 17 DG H1 1 23 DG H8 5.000 4.000 6.000 5.046 4.973 5.139 . 0 0 "[ . 1]" 1
296 1 5 DG H8 1 23 DG H1 5.000 4.000 6.000 5.053 4.852 5.219 . 0 0 "[ . 1]" 1
297 1 6 DG H1 1 12 DG H8 5.000 4.000 6.000 5.172 5.050 5.261 . 0 0 "[ . 1]" 1
298 1 12 DG H1 1 16 DG H8 5.000 4.000 6.000 5.513 5.404 5.609 . 0 0 "[ . 1]" 1
299 1 16 DG H1 1 24 DG H8 5.000 4.000 6.000 5.016 4.937 5.095 . 0 0 "[ . 1]" 1
300 1 6 DG H8 1 24 DG H1 5.000 4.000 6.000 5.888 5.740 5.949 . 0 0 "[ . 1]" 1
301 1 4 DG H1 1 23 DG H1 3.800 3.080 4.520 3.368 3.291 3.484 . 0 0 "[ . 1]" 1
302 1 5 DG H1 1 6 DG H1 4.000 3.200 4.800 3.792 3.597 3.904 . 0 0 "[ . 1]" 1
303 1 5 DG H1 1 10 DG H1 3.800 3.040 4.560 3.912 3.752 4.065 . 0 0 "[ . 1]" 1
304 1 5 DG H1 1 24 DG H1 4.600 3.680 5.560 4.298 4.083 4.511 . 0 0 "[ . 1]" 1
305 1 11 DG H1 1 12 DG H1 4.100 3.300 4.900 3.740 3.622 3.823 . 0 0 "[ . 1]" 1
306 1 11 DG H1 1 18 DG H1 3.700 2.960 4.440 3.518 3.384 3.602 . 0 0 "[ . 1]" 1
307 1 12 DG H1 1 17 DG H1 5.480 4.380 6.580 5.001 4.907 5.100 . 0 0 "[ . 1]" 1
308 1 16 DG H1 1 17 DG H1 4.300 3.440 5.160 3.955 3.901 3.991 . 0 0 "[ . 1]" 1
309 1 16 DG H1 1 23 DG H1 4.800 3.880 5.720 4.707 4.669 4.769 . 0 0 "[ . 1]" 1
310 1 23 DG H1 1 24 DG H1 4.300 3.440 5.160 4.114 4.034 4.186 . 0 0 "[ . 1]" 1
311 1 1 DA H2 1 2 DA H8 5.000 4.080 5.920 4.192 3.647 5.357 0.433 8 0 "[ . 1]" 1
312 1 1 DA H8 1 2 DA H1' 4.600 3.680 5.520 5.518 4.695 6.037 0.517 10 2 "[ - . +]" 1
313 1 1 DA H1' 1 2 DA H2 6.500 5.200 7.800 8.563 7.644 9.046 1.246 6 8 "[-****+** 1]" 1
314 1 1 DA H2' 1 2 DA H8 3.300 2.640 3.960 2.616 2.382 3.370 0.258 8 0 "[ . 1]" 1
315 1 1 DA H2'' 1 2 DA H8 4.670 3.740 5.600 4.209 3.881 4.756 . 0 0 "[ . 1]" 1
316 1 2 DA H2 1 3 DA H1' 4.630 3.710 5.550 3.615 2.786 5.272 0.924 8 4 "[ *-*. + 1]" 1
317 1 2 DA H2 1 3 DA H2 4.060 3.260 4.860 4.137 3.127 4.636 0.133 7 0 "[ . 1]" 1
318 1 2 DA H2 1 9 DA H2 5.000 4.200 5.800 5.647 5.239 6.049 0.249 10 0 "[ . 1]" 1
319 1 2 DA H8 1 3 DA H8 4.800 3.840 5.760 5.662 5.045 7.044 1.284 7 1 "[ . + 1]" 1
320 1 2 DA H1' 1 3 DA H8 4.790 3.830 5.750 5.552 4.121 6.185 0.435 5 0 "[ . 1]" 1
321 1 2 DA Q2' 1 3 DA H8 . 2.590 3.040 2.875 2.138 3.347 0.452 10 0 "[ . 1]" 1
322 1 2 DA H3' 1 3 DA H8 4.570 3.660 5.480 3.603 3.312 4.591 0.348 9 0 "[ . 1]" 1
323 1 2 DA H4' 1 3 DA H8 6.320 5.060 7.580 6.107 5.478 6.434 . 0 0 "[ . 1]" 1
324 1 3 DA H2 1 9 DA H2 4.000 3.210 4.790 3.748 3.352 4.173 . 0 0 "[ . 1]" 1
325 1 3 DA H1' 1 9 DA H2 3.800 3.000 4.600 5.094 4.468 5.623 1.023 6 5 "[*-* .+ * 1]" 1
326 1 3 DA H2'' 1 9 DA H2 5.000 4.000 6.000 4.450 4.161 5.017 . 0 0 "[ . 1]" 1
327 1 8 DT H2' 1 9 DA H8 5.500 4.400 6.600 4.993 4.652 5.756 . 0 0 "[ . 1]" 1
328 1 8 DT H2'' 1 9 DA H8 4.200 3.360 5.040 4.186 3.799 4.889 . 0 0 "[ . 1]" 1
329 1 8 DT H3' 1 9 DA H8 5.500 4.400 6.600 5.020 4.812 6.456 . 0 0 "[ . 1]" 1
330 1 9 DA H1' 1 9 DA H8 3.880 2.910 4.850 3.646 3.638 3.653 . 0 0 "[ . 1]" 1
331 1 9 DA H2' 1 9 DA H8 4.000 3.200 4.800 3.723 3.700 3.753 . 0 0 "[ . 1]" 1
332 1 9 DA H1' 1 9 DA H2'' 2.200 . 2.640 2.417 2.402 2.423 . 0 0 "[ . 1]" 1
333 1 9 DA H2'' 1 9 DA H8 4.800 3.840 5.760 4.762 4.750 4.780 . 0 0 "[ . 1]" 1
334 1 9 DA H1' 1 9 DA H3' 4.000 3.200 4.800 3.898 3.882 3.932 . 0 0 "[ . 1]" 1
335 1 9 DA H3' 1 9 DA H8 4.660 3.730 5.590 5.116 4.907 5.219 . 0 0 "[ . 1]" 1
336 1 9 DA H1' 1 9 DA H4' 3.650 2.920 4.380 3.202 3.002 3.326 . 0 0 "[ . 1]" 1
337 1 9 DA H4' 1 9 DA H8 4.300 3.440 5.160 4.472 4.433 4.496 . 0 0 "[ . 1]" 1
338 1 9 DA H1' 1 9 DA H5' 4.990 3.990 5.990 4.922 4.439 4.990 . 0 0 "[ . 1]" 1
339 1 9 DA H1' 1 9 DA H5'' 4.990 3.990 5.990 4.412 4.319 4.614 . 0 0 "[ . 1]" 1
340 1 9 DA H5' 1 9 DA H8 4.440 3.550 5.330 4.707 3.486 4.980 0.064 9 0 "[ . 1]" 1
341 1 9 DA H5'' 1 9 DA H8 3.440 2.750 4.130 3.270 3.084 3.568 . 0 0 "[ . 1]" 1
342 1 19 DT H2'' 1 20 DT H6 4.800 3.840 5.760 4.864 4.407 5.319 . 0 0 "[ . 1]" 1
343 1 19 DT H3' 1 20 DT H6 4.000 3.200 4.800 5.758 5.107 6.196 1.396 1 9 [+******-*1] 1
344 1 19 DT H3' 1 21 DA H8 5.500 4.400 6.600 5.808 4.889 6.678 0.078 7 0 "[ . 1]" 1
345 1 20 DT H6 1 21 DA H8 5.220 4.180 6.260 6.448 6.140 6.878 0.618 2 2 "[ + . - 1]" 1
346 1 20 DT H1' 1 21 DA H8 4.400 3.520 5.280 6.110 5.728 6.474 1.194 1 7 "[+- ** ***]" 1
347 1 20 DT Q2' 1 21 DA H8 2.800 2.240 3.360 3.286 3.098 3.508 0.148 1 0 "[ . 1]" 1
348 1 20 DT Q2' 1 21 DA H1' 4.200 3.360 5.040 3.515 3.150 4.318 0.210 6 0 "[ . 1]" 1
349 1 20 DT H3' 1 21 DA H8 4.000 3.200 4.800 3.268 2.775 3.673 0.425 2 0 "[ . 1]" 1
350 1 20 DT H4' 1 21 DA H8 5.500 4.410 6.590 6.030 5.658 6.363 . 0 0 "[ . 1]" 1
351 1 20 DT H6 1 21 DA H2 6.000 4.800 7.200 5.871 5.091 7.439 0.239 8 0 "[ . 1]" 1
352 1 4 DG H1 1 21 DA H2 5.000 4.000 6.000 5.626 4.301 6.153 0.153 10 0 "[ . 1]" 1
353 1 10 DG H1 1 21 DA H2 5.920 4.740 7.100 4.785 4.268 5.245 0.472 8 0 "[ . 1]" 1
354 1 18 DG H1 1 21 DA H2 4.430 3.560 5.300 4.514 3.794 5.145 . 0 0 "[ . 1]" 1
355 1 21 DA H2 1 22 DG H1 4.500 3.600 5.400 4.609 3.776 5.327 . 0 0 "[ . 1]" 1
356 1 18 DG H8 1 21 DA H8 4.120 3.300 4.940 3.869 3.345 4.427 . 0 0 "[ . 1]" 1
357 1 18 DG H3' 1 21 DA H8 4.800 3.880 5.720 5.307 4.764 5.761 0.041 4 0 "[ . 1]" 1
358 1 18 DG H8 1 21 DA H1' 5.600 4.480 6.720 6.412 6.165 6.634 . 0 0 "[ . 1]" 1
359 1 21 DA H1' 1 22 DG H1 4.000 3.200 4.800 4.584 4.331 4.857 0.057 10 0 "[ . 1]" 1
360 1 18 DG H8 1 21 DA H2' 3.500 2.800 4.200 4.127 3.584 4.725 0.525 3 1 "[ + . 1]" 1
361 1 21 DA H2' 1 22 DG H1 5.050 4.040 6.060 4.123 3.814 4.415 0.226 6 0 "[ . 1]" 1
362 1 18 DG H8 1 21 DA H2'' 4.600 3.700 5.500 5.793 5.192 6.456 0.956 3 4 "[ -+*. * 1]" 1
363 1 21 DA H2'' 1 22 DG H1 4.890 3.900 5.880 4.061 3.432 4.843 0.468 1 0 "[ . 1]" 1
364 1 18 DG H8 1 21 DA H3' 5.400 4.320 6.480 5.168 4.579 5.769 . 0 0 "[ . 1]" 1
365 1 20 DT H1' 1 21 DA H4' 4.890 3.910 5.870 6.103 5.635 6.532 0.662 2 2 "[ + . - 1]" 1
366 1 4 DG H1' 1 5 DG H4' 4.000 3.200 4.800 2.905 2.714 3.189 0.486 7 0 "[ . 1]" 1
367 1 4 DG H1' 1 5 DG H5' 4.400 3.520 5.280 3.971 3.850 4.254 . 0 0 "[ . 1]" 1
368 1 4 DG H1' 1 5 DG H5'' 3.800 3.040 4.560 3.926 3.788 4.071 . 0 0 "[ . 1]" 1
369 1 4 DG H1' 1 5 DG H8 4.000 3.240 4.760 3.897 3.777 4.052 . 0 0 "[ . 1]" 1
370 1 4 DG H2' 1 5 DG H8 3.740 2.990 4.490 4.426 2.806 4.870 0.380 2 0 "[ . 1]" 1
371 1 4 DG H2'' 1 5 DG H8 2.900 2.360 3.440 3.274 2.461 3.534 0.094 2 0 "[ . 1]" 1
372 1 4 DG H3' 1 5 DG H8 5.500 4.460 6.540 6.004 4.809 6.301 . 0 0 "[ . 1]" 1
373 1 4 DG H8 1 5 DG H1' 3.500 2.860 4.140 3.084 2.383 3.613 0.477 6 0 "[ . 1]" 1
374 1 5 DG H1' 1 6 DG H8 4.500 3.600 5.400 4.702 4.274 5.322 . 0 0 "[ . 1]" 1
375 1 5 DG H2' 1 6 DG H8 3.500 2.800 4.200 3.047 2.301 3.623 0.499 10 0 "[ . 1]" 1
376 1 5 DG H2'' 1 6 DG H8 2.900 2.400 3.400 2.796 2.336 3.609 0.209 6 0 "[ . 1]" 1
377 1 5 DG H3' 1 6 DG H8 4.790 3.810 5.770 4.351 3.897 4.722 . 0 0 "[ . 1]" 1
378 1 4 DG H8 1 5 DG H4' 4.500 3.600 5.400 3.864 3.488 4.177 0.112 6 0 "[ . 1]" 1
379 1 5 DG H4' 1 6 DG H8 6.200 4.960 7.440 6.301 5.853 6.514 . 0 0 "[ . 1]" 1
380 1 7 DT H1' 1 8 DT H6 6.000 4.800 7.200 5.780 4.510 6.449 0.290 10 0 "[ . 1]" 1
381 1 7 DT H3' 1 8 DT H6 4.500 3.600 5.400 4.978 4.519 5.111 . 0 0 "[ . 1]" 1
382 1 7 DT H4' 1 8 DT H6 6.500 5.200 7.800 7.134 6.190 7.469 . 0 0 "[ . 1]" 1
383 1 10 DG H1' 1 11 DG H8 4.100 3.280 4.920 4.008 3.831 4.134 . 0 0 "[ . 1]" 1
384 1 10 DG H2' 1 11 DG H8 3.000 2.400 3.600 3.153 3.064 3.178 . 0 0 "[ . 1]" 1
385 1 10 DG H2'' 1 11 DG H8 3.000 2.400 3.600 2.351 2.251 2.408 0.149 7 0 "[ . 1]" 1
386 1 10 DG H3' 1 11 DG H8 4.800 3.840 5.760 4.864 4.776 4.892 . 0 0 "[ . 1]" 1
387 1 10 DG H4' 1 11 DG H8 5.610 4.610 6.610 6.167 6.055 6.233 . 0 0 "[ . 1]" 1
388 1 11 DG H1' 1 12 DG H8 3.800 3.000 4.600 3.946 3.839 4.102 . 0 0 "[ . 1]" 1
389 1 10 DG H8 1 11 DG H1' 3.570 2.820 4.320 3.827 3.684 3.995 . 0 0 "[ . 1]" 1
390 1 11 DG H2' 1 12 DG H8 2.630 2.100 3.160 2.411 2.311 2.477 . 0 0 "[ . 1]" 1
391 1 11 DG H2'' 1 12 DG H8 2.610 2.090 3.130 2.321 2.249 2.444 . 0 0 "[ . 1]" 1
392 1 10 DG H8 1 11 DG H3' 4.800 3.840 5.760 5.391 5.288 5.529 . 0 0 "[ . 1]" 1
393 1 11 DG H3' 1 12 DG H8 4.340 3.470 5.210 4.486 4.403 4.550 . 0 0 "[ . 1]" 1
394 1 11 DG H4' 1 12 DG H8 5.250 4.200 6.300 5.351 5.256 5.461 . 0 0 "[ . 1]" 1
395 1 6 DG H1 1 14 DT H6 5.800 4.640 6.960 5.032 4.728 5.659 . 0 0 "[ . 1]" 1
396 1 12 DG H1 1 14 DT H6 6.000 4.760 7.240 5.322 5.176 5.471 . 0 0 "[ . 1]" 1
397 1 12 DG H8 1 14 DT H6 4.300 3.440 5.160 4.687 4.487 5.003 . 0 0 "[ . 1]" 1
398 1 12 DG H1 1 14 DT H1' 4.000 3.200 4.800 3.581 3.204 4.236 . 0 0 "[ . 1]" 1
399 1 14 DT H1' 1 15 DA H8 5.200 4.160 6.240 5.166 5.126 5.208 . 0 0 "[ . 1]" 1
400 1 14 DT H2' 1 15 DA Q5' 4.000 3.200 4.800 4.131 3.955 4.309 . 0 0 "[ . 1]" 1
401 1 14 DT H2' 1 15 DA H8 5.200 4.160 6.240 5.435 5.235 5.581 . 0 0 "[ . 1]" 1
402 1 12 DG H1 1 14 DT H2'' 5.000 4.000 6.000 5.421 4.949 6.082 0.082 6 0 "[ . 1]" 1
403 1 14 DT H2'' 1 15 DA H8 4.000 3.200 4.800 3.865 3.660 4.012 . 0 0 "[ . 1]" 1
404 1 12 DG H1' 1 14 DT H4' 5.000 4.000 6.000 5.644 4.496 6.543 0.543 2 2 "[ + . - 1]" 1
405 1 12 DG H1' 1 14 DT H5' 5.300 4.300 6.300 5.806 5.032 6.383 0.083 2 0 "[ . 1]" 1
406 1 12 DG H1' 1 14 DT H5'' 6.000 4.800 7.200 7.020 5.964 7.820 0.620 2 2 "[ + . - 1]" 1
407 1 12 DG H1 1 15 DA H8 5.200 4.260 6.140 5.988 5.051 6.927 0.787 6 3 "[ .+ - *]" 1
408 1 15 DA H8 1 16 DG H1 5.000 4.000 6.000 4.257 3.512 4.957 0.488 7 0 "[ . 1]" 1
409 1 15 DA H8 1 16 DG H8 6.000 4.800 7.200 6.582 5.736 7.445 0.245 6 0 "[ . 1]" 1
410 1 15 DA H8 1 25 DA H2 5.000 4.000 6.000 3.803 3.512 4.311 0.488 9 0 "[ . 1]" 1
411 1 15 DA H4' 1 16 DG H8 5.000 4.000 6.000 4.639 3.448 5.757 0.552 1 1 "[+ . 1]" 1
412 1 15 DA Q5' 1 16 DG H8 . 4.400 4.800 4.575 3.192 5.872 1.208 1 10 [+*-*******] 1
413 1 16 DG H1' 1 17 DG H8 6.000 4.800 7.200 6.321 6.003 6.631 . 0 0 "[ . 1]" 1
414 1 16 DG H2' 1 17 DG H8 7.600 6.080 9.120 8.475 8.243 8.706 . 0 0 "[ . 1]" 1
415 1 16 DG H2'' 1 17 DG H8 7.000 5.600 8.400 7.613 7.284 7.903 . 0 0 "[ . 1]" 1
416 1 16 DG H8 1 17 DG H1' 4.570 3.660 5.480 4.333 4.066 4.539 . 0 0 "[ . 1]" 1
417 1 17 DG H1' 1 18 DG H8 4.600 3.680 5.520 4.646 4.603 4.709 . 0 0 "[ . 1]" 1
418 1 17 DG H2' 1 18 DG H8 2.460 . 2.920 2.674 2.581 2.784 . 0 0 "[ . 1]" 1
419 1 17 DG H2' 1 18 DG H1' 5.000 4.000 6.000 5.440 5.350 5.553 . 0 0 "[ . 1]" 1
420 1 17 DG H2'' 1 18 DG H1' 4.000 3.200 4.800 4.323 4.272 4.401 . 0 0 "[ . 1]" 1
421 1 17 DG H2'' 1 18 DG H8 2.300 . 2.760 2.417 2.369 2.500 . 0 0 "[ . 1]" 1
422 1 17 DG H3' 1 18 DG H8 3.500 2.800 4.200 3.946 3.745 4.228 0.028 10 0 "[ . 1]" 1
423 1 16 DG H1' 1 17 DG H4' 4.780 3.820 5.740 4.088 3.908 4.351 . 0 0 "[ . 1]" 1
424 1 16 DG H8 1 17 DG H4' 4.840 4.070 5.610 5.011 4.536 5.284 . 0 0 "[ . 1]" 1
425 1 16 DG H8 1 17 DG H5' 6.000 4.800 7.200 6.164 5.741 6.472 . 0 0 "[ . 1]" 1
426 1 16 DG H1' 1 17 DG H5'' 3.800 3.160 4.440 3.748 3.569 4.031 . 0 0 "[ . 1]" 1
427 1 16 DG H8 1 17 DG H5'' 5.000 4.000 6.000 5.173 4.594 5.562 . 0 0 "[ . 1]" 1
428 1 17 DG H8 1 18 DG H1' 3.500 2.780 4.230 4.137 4.058 4.210 . 0 0 "[ . 1]" 1
429 1 18 DG H1' 1 19 DT H6 4.510 3.610 5.410 3.595 3.119 3.742 0.491 10 0 "[ . 1]" 1
430 1 18 DG H3' 1 19 DT H6 5.000 4.000 6.000 4.631 4.135 4.829 . 0 0 "[ . 1]" 1
431 1 17 DG H8 1 18 DG H4' 4.000 3.200 4.800 4.854 4.448 4.966 0.166 1 0 "[ . 1]" 1
432 1 22 DG H1' 1 23 DG H8 3.800 3.040 4.560 3.843 3.751 4.033 . 0 0 "[ . 1]" 1
433 1 22 DG H2' 1 23 DG H8 2.620 2.100 3.140 2.897 2.727 3.046 . 0 0 "[ . 1]" 1
434 1 22 DG H2'' 1 23 DG H8 2.600 2.190 3.010 2.195 2.166 2.229 0.024 7 0 "[ . 1]" 1
435 1 22 DG H3' 1 23 DG H8 4.080 3.260 4.900 4.582 4.445 4.692 . 0 0 "[ . 1]" 1
436 1 22 DG H4' 1 23 DG H8 5.640 4.550 6.730 6.114 5.814 6.209 . 0 0 "[ . 1]" 1
437 1 22 DG H8 1 23 DG H1' 3.230 2.600 3.860 3.250 3.067 3.380 . 0 0 "[ . 1]" 1
438 1 23 DG H1' 1 24 DG H8 3.800 3.040 4.560 3.575 3.461 3.718 . 0 0 "[ . 1]" 1
439 1 22 DG H8 1 23 DG H2' 5.600 4.480 6.720 5.209 5.141 5.293 . 0 0 "[ . 1]" 1
440 1 23 DG H2' 1 24 DG H8 2.600 2.080 3.120 3.256 3.099 3.324 0.204 7 0 "[ . 1]" 1
441 1 22 DG H8 1 23 DG H2'' 5.180 4.140 6.220 5.430 5.335 5.496 . 0 0 "[ . 1]" 1
442 1 23 DG H2'' 1 24 DG H8 2.600 2.180 3.020 2.339 2.277 2.387 . 0 0 "[ . 1]" 1
443 1 23 DG H3' 1 24 DG H8 5.260 4.210 6.310 4.993 4.883 5.066 . 0 0 "[ . 1]" 1
444 1 22 DG H1' 1 23 DG H4' 3.330 2.670 3.990 3.920 3.656 4.076 0.086 4 0 "[ . 1]" 1
445 1 22 DG H8 1 23 DG H4' 3.840 3.070 4.610 4.251 4.049 4.379 . 0 0 "[ . 1]" 1
446 1 23 DG H4' 1 24 DG H8 5.660 4.540 6.780 6.053 5.947 6.182 . 0 0 "[ . 1]" 1
447 1 22 DG H8 1 23 DG H5' 5.000 4.000 6.000 5.736 5.680 5.887 . 0 0 "[ . 1]" 1
448 1 24 DG H1' 1 25 DA H8 6.000 4.800 7.200 5.827 5.587 6.212 . 0 0 "[ . 1]" 1
449 1 24 DG H1' 1 25 DA H1' 5.000 4.000 6.000 5.096 3.821 6.382 0.382 7 0 "[ . 1]" 1
450 1 24 DG H1' 1 25 DA H4' 5.000 4.000 6.000 5.701 4.802 6.521 0.521 7 2 "[ - + 1]" 1
451 1 24 DG H2' 1 25 DA H8 5.600 4.480 6.720 5.579 5.301 5.872 . 0 0 "[ . 1]" 1
452 1 12 DG H1 1 25 DA H2 5.800 4.720 6.880 6.763 6.445 6.952 0.072 10 0 "[ . 1]" 1
453 1 16 DG H1 1 25 DA H2 3.800 3.100 4.500 4.246 4.008 4.419 . 0 0 "[ . 1]" 1
454 1 24 DG H1 1 25 DA H2 4.500 3.600 5.400 4.940 4.649 5.327 . 0 0 "[ . 1]" 1
455 1 25 DA Q2' 1 26 DA H8 4.000 4.000 4.800 3.224 2.821 3.435 1.179 1 10 [+-********] 1
456 1 25 DA H3' 1 26 DA H8 4.000 3.200 4.800 3.591 2.940 4.273 0.260 9 0 "[ . 1]" 1
457 1 25 DA H5'' 1 26 DA H8 5.000 4.040 5.960 5.581 4.746 6.536 0.576 7 2 "[ - + 1]" 1
458 1 25 DA H8 1 26 DA H2 5.000 4.000 6.000 4.604 4.292 5.185 . 0 0 "[ . 1]" 1
459 1 25 DA H2 1 26 DA H8 6.000 4.800 7.200 7.038 6.229 7.731 0.531 9 1 "[ . +1]" 1
460 1 25 DA H8 1 26 DA H1' 5.000 4.000 6.000 4.930 4.316 5.809 . 0 0 "[ . 1]" 1
461 1 25 DA H8 1 26 DA H4' 5.100 4.080 6.120 6.207 5.552 6.950 0.830 4 4 "[* -+* 1]" 1
462 1 25 DA H8 1 26 DA Q5' 5.000 4.000 6.000 6.126 5.565 6.678 0.678 5 3 "[ -*+ 1]" 1
463 1 14 DT N3 1 25 DA N1 3.000 2.800 3.200 3.357 3.276 3.555 0.355 9 0 "[ . 1]" 1
464 1 14 DT H3 1 25 DA N1 2.000 . 2.200 2.403 2.319 2.654 0.454 9 0 "[ . 1]" 1
465 1 14 DT O4 1 25 DA H61 2.000 . 2.200 2.015 1.967 2.059 . 0 0 "[ . 1]" 1
466 1 14 DT O4 1 25 DA N6 3.000 2.800 3.200 2.915 2.876 2.982 . 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 48
_Distance_constraint_stats_list.Viol_count 94
_Distance_constraint_stats_list.Viol_total 44.268
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0292
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_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 4 DG 0.673 0.113 9 0 "[ . 1]"
1 5 DG 0.290 0.057 5 0 "[ . 1]"
1 6 DG 2.555 0.189 3 0 "[ . 1]"
1 10 DG 1.052 0.127 6 0 "[ . 1]"
1 11 DG 0.290 0.057 5 0 "[ . 1]"
1 12 DG 0.112 0.021 1 0 "[ . 1]"
1 16 DG 0.001 0.001 4 0 "[ . 1]"
1 17 DG 0.000 0.000 . 0 "[ . 1]"
1 18 DG 0.908 0.127 6 0 "[ . 1]"
1 22 DG 0.528 0.113 9 0 "[ . 1]"
1 23 DG 0.000 0.000 . 0 "[ . 1]"
1 24 DG 2.444 0.189 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 DG N7 1 10 DG H21 1.990 . 2.090 2.033 1.983 2.068 . 0 0 "[ . 1]" 2
2 1 4 DG N7 1 10 DG N2 2.950 2.850 3.050 3.030 2.979 3.063 0.013 5 0 "[ . 1]" 2
3 1 4 DG O6 1 10 DG H1 1.950 . 2.050 1.881 1.848 1.953 0.002 5 0 "[ . 1]" 2
4 1 4 DG O6 1 10 DG N1 2.950 2.850 3.050 2.836 2.813 2.888 0.037 2 0 "[ . 1]" 2
5 1 4 DG H21 1 22 DG N7 1.990 . 2.090 2.071 1.994 2.166 0.076 9 0 "[ . 1]" 2
6 1 4 DG N2 1 22 DG N7 2.950 2.850 3.050 3.070 2.993 3.163 0.113 9 0 "[ . 1]" 2
7 1 4 DG H1 1 22 DG O6 1.950 . 2.050 1.940 1.914 2.011 . 0 0 "[ . 1]" 2
8 1 4 DG N1 1 22 DG O6 2.950 2.850 3.050 2.876 2.849 2.915 0.001 6 0 "[ . 1]" 2
9 1 18 DG N7 1 22 DG H22 1.990 . 2.090 2.028 1.995 2.067 . 0 0 "[ . 1]" 2
10 1 18 DG N7 1 22 DG N2 2.950 2.850 3.050 3.002 2.970 3.034 . 0 0 "[ . 1]" 2
11 1 18 DG O6 1 22 DG H1 1.950 . 2.050 1.890 1.849 1.933 0.001 8 0 "[ . 1]" 2
12 1 18 DG O6 1 22 DG N1 2.950 2.850 3.050 2.850 2.811 2.880 0.039 8 0 "[ . 1]" 2
13 1 10 DG N7 1 18 DG H22 1.990 . 2.090 1.971 1.944 2.024 . 0 0 "[ . 1]" 2
14 1 10 DG N7 1 18 DG N2 2.950 2.850 3.050 2.968 2.942 3.025 . 0 0 "[ . 1]" 2
15 1 10 DG O6 1 18 DG H1 1.950 . 2.050 2.114 2.067 2.177 0.127 6 0 "[ . 1]" 2
16 1 10 DG O6 1 18 DG N1 2.950 2.850 3.050 3.057 2.999 3.126 0.076 10 0 "[ . 1]" 2
17 1 5 DG H21 1 11 DG N7 1.990 . 2.090 2.064 2.035 2.104 0.014 5 0 "[ . 1]" 2
18 1 5 DG N2 1 11 DG N7 2.950 2.850 3.050 3.064 3.025 3.107 0.057 5 0 "[ . 1]" 2
19 1 5 DG H1 1 11 DG O6 1.950 . 2.050 1.901 1.887 1.944 . 0 0 "[ . 1]" 2
20 1 5 DG N1 1 11 DG O6 2.950 2.850 3.050 2.845 2.819 2.891 0.031 9 0 "[ . 1]" 2
21 1 5 DG N7 1 23 DG H21 1.990 . 2.090 1.933 1.916 1.980 . 0 0 "[ . 1]" 2
22 1 5 DG N7 1 23 DG N2 2.950 2.850 3.050 2.931 2.910 2.980 . 0 0 "[ . 1]" 2
23 1 5 DG O6 1 23 DG H1 1.950 . 2.050 1.977 1.938 2.040 . 0 0 "[ . 1]" 2
24 1 5 DG O6 1 23 DG N1 2.950 2.850 3.050 2.899 2.862 2.939 . 0 0 "[ . 1]" 2
25 1 17 DG H22 1 23 DG N7 1.990 . 2.090 1.951 1.932 1.977 . 0 0 "[ . 1]" 2
26 1 17 DG N2 1 23 DG N7 2.950 2.850 3.050 2.950 2.932 2.979 . 0 0 "[ . 1]" 2
27 1 17 DG H1 1 23 DG O6 1.950 . 2.050 2.010 1.985 2.035 . 0 0 "[ . 1]" 2
28 1 17 DG N1 1 23 DG O6 2.950 2.850 3.050 2.960 2.942 2.984 . 0 0 "[ . 1]" 2
29 1 11 DG H22 1 17 DG N7 1.990 . 2.090 1.993 1.963 2.007 . 0 0 "[ . 1]" 2
30 1 11 DG N2 1 17 DG N7 2.950 2.850 3.050 2.981 2.956 3.001 . 0 0 "[ . 1]" 2
31 1 11 DG H1 1 17 DG O6 1.950 . 2.050 1.971 1.941 2.024 . 0 0 "[ . 1]" 2
32 1 11 DG N1 1 17 DG O6 2.950 2.850 3.050 2.936 2.911 2.985 . 0 0 "[ . 1]" 2
33 1 6 DG H21 1 12 DG N7 1.990 . 2.090 2.000 1.973 2.044 . 0 0 "[ . 1]" 2
34 1 6 DG N2 1 12 DG N7 2.950 2.850 3.050 2.994 2.971 3.041 . 0 0 "[ . 1]" 2
35 1 6 DG H1 1 12 DG O6 1.950 . 2.050 2.056 2.001 2.071 0.021 1 0 "[ . 1]" 2
36 1 6 DG N1 1 12 DG O6 2.950 2.850 3.050 3.017 2.957 3.040 . 0 0 "[ . 1]" 2
37 1 6 DG N7 1 24 DG H21 1.990 . 2.090 2.215 2.074 2.279 0.189 3 0 "[ . 1]" 2
38 1 6 DG N7 1 24 DG N2 2.950 2.850 3.050 3.153 3.011 3.215 0.165 3 0 "[ . 1]" 2
39 1 6 DG O6 1 24 DG H1 1.950 . 2.050 1.870 1.861 1.892 . 0 0 "[ . 1]" 2
40 1 6 DG O6 1 24 DG N1 2.950 2.850 3.050 2.840 2.828 2.860 0.022 9 0 "[ . 1]" 2
41 1 16 DG H22 1 24 DG N7 1.990 . 2.090 2.003 1.986 2.022 . 0 0 "[ . 1]" 2
42 1 16 DG N2 1 24 DG N7 2.950 2.850 3.050 2.997 2.975 3.014 . 0 0 "[ . 1]" 2
43 1 16 DG H1 1 24 DG O6 1.950 . 2.050 1.975 1.945 2.032 . 0 0 "[ . 1]" 2
44 1 16 DG N1 1 24 DG O6 2.950 2.850 3.050 2.896 2.863 2.950 . 0 0 "[ . 1]" 2
45 1 12 DG H22 1 16 DG N7 1.990 . 2.090 2.043 2.006 2.067 . 0 0 "[ . 1]" 2
46 1 12 DG N2 1 16 DG N7 2.950 2.850 3.050 3.022 2.987 3.051 0.001 4 0 "[ . 1]" 2
47 1 12 DG H1 1 16 DG O6 1.950 . 2.050 1.950 1.912 2.022 . 0 0 "[ . 1]" 2
48 1 12 DG N1 1 16 DG O6 2.950 2.850 3.050 2.927 2.892 2.991 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 7:30:36 PM GMT (wattos1)