NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380945 |
1ir5   |
5243 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1ir5
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 224
_TA_constraint_stats_list.Viol_count 38
_TA_constraint_stats_list.Viol_total 157.91
_TA_constraint_stats_list.Viol_max 1.09
_TA_constraint_stats_list.Viol_rms 0.03
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.21
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 1 DC O3' 1 2 DA P 1 2 DA O5' 1 2 DA C5' -90.00 -30.00 -74.09 -76.46 -71.78 . . 0 "[ . 1 . 2]"
2 . 1 2 DA O3' 1 3 DC P 1 3 DC O5' 1 3 DC C5' -90.00 -30.00 -74.19 -73.41 -74.09 . . 0 "[ . 1 . 2]"
3 . 1 3 DC O3' 1 4 DT P 1 4 DT O5' 1 4 DT C5' -90.00 -30.00 -68.44 -67.10 -67.59 . . 0 "[ . 1 . 2]"
4 . 1 4 DT O3' 1 5 DA P 1 5 DA O5' 1 5 DA C5' -90.00 -30.00 -66.38 -65.74 -65.98 . . 0 "[ . 1 . 2]"
5 . 1 5 DA O3' 1 6 DC P 1 6 DC O5' 1 6 DC C5' -90.00 -30.00 -65.69 -64.68 -64.92 . . 0 "[ . 1 . 2]"
6 . 1 6 DC O3' 1 7 DT P 1 7 DT O5' 1 7 DT C5' -90.00 -30.00 -70.09 -70.94 -71.11 . . 0 "[ . 1 . 2]"
7 . 1 7 DT O3' 1 8 DC P 1 8 DC O5' 1 8 DC C5' -90.00 -30.00 -72.64 -74.30 -71.07 . . 0 "[ . 1 . 2]"
8 . 1 8 DC O3' 1 9 DT P 1 9 DT O5' 1 9 DT C5' -90.00 -30.00 -59.16 -59.25 -59.34 . . 0 "[ . 1 . 2]"
9 . 1 9 DT O3' 1 10 DT P 1 10 DT O5' 1 10 DT C5' -90.00 -30.00 -67.25 -67.01 -67.16 . . 0 "[ . 1 . 2]"
10 . 1 10 DT O3' 1 11 DT P 1 11 DT O5' 1 11 DT C5' -90.00 -30.00 -68.20 -67.48 -67.80 . . 0 "[ . 1 . 2]"
11 . 1 11 DT O3' 1 12 DG P 1 12 DG O5' 1 12 DG C5' -90.00 -30.00 -63.15 -62.81 -63.00 . . 0 "[ . 1 . 2]"
12 . 1 12 DG O3' 1 13 DT P 1 13 DT O5' 1 13 DT C5' -90.00 -30.00 -59.87 -59.40 -59.59 . . 0 "[ . 1 . 2]"
13 . 1 13 DT O3' 1 14 DA P 1 14 DA O5' 1 14 DA C5' -90.00 -30.00 -65.53 -64.58 -64.65 . . 0 "[ . 1 . 2]"
14 . 1 14 DA O3' 1 15 DG P 1 15 DG O5' 1 15 DG C5' -90.00 -30.00 -68.91 -90.16 -64.84 0.16 16 0 "[ . 1 . 2]"
15 . 1 15 DG O3' 1 16 DT P 1 16 DT O5' 1 16 DT C5' -90.00 -30.00 -69.27 -67.87 -67.91 . . 0 "[ . 1 . 2]"
16 . 1 16 DT O3' 1 17 DG P 1 17 DG O5' 1 17 DG C5' -90.00 -30.00 -71.38 -69.09 -69.64 . . 0 "[ . 1 . 2]"
17 . 2 1 DC O3' 2 2 DA P 2 2 DA O5' 2 2 DA C5' -90.00 -30.00 -71.90 -74.53 -68.54 . . 0 "[ . 1 . 2]"
18 . 2 2 DA O3' 2 3 DC P 2 3 DC O5' 2 3 DC C5' -90.00 -30.00 -68.72 -74.08 -65.13 . . 0 "[ . 1 . 2]"
19 . 2 3 DC O3' 2 4 DT P 2 4 DT O5' 2 4 DT C5' -90.00 -30.00 -66.90 -68.80 -65.84 . . 0 "[ . 1 . 2]"
20 . 2 4 DT O3' 2 5 DA P 2 5 DA O5' 2 5 DA C5' -90.00 -30.00 -65.89 -64.89 -65.38 . . 0 "[ . 1 . 2]"
21 . 2 5 DA O3' 2 6 DC P 2 6 DC O5' 2 6 DC C5' -90.00 -30.00 -70.00 -69.50 -69.76 . . 0 "[ . 1 . 2]"
22 . 2 6 DC O3' 2 7 DA P 2 7 DA O5' 2 7 DA C5' -90.00 -30.00 -57.65 -56.65 -57.08 . . 0 "[ . 1 . 2]"
23 . 2 7 DA O3' 2 8 DA P 2 8 DA O5' 2 8 DA C5' -90.00 -30.00 -62.63 -65.12 -61.14 . . 0 "[ . 1 . 2]"
24 . 2 8 DA O3' 2 9 DA P 2 9 DA O5' 2 9 DA C5' -90.00 -30.00 -67.34 -65.57 -66.13 . . 0 "[ . 1 . 2]"
25 . 2 9 DA O3' 2 10 DG P 2 10 DG O5' 2 10 DG C5' -90.00 -30.00 -65.08 -64.43 -64.71 . . 0 "[ . 1 . 2]"
26 . 2 10 DG O3' 2 11 DA P 2 11 DA O5' 2 11 DA C5' -90.00 -30.00 -62.62 -62.58 -62.96 . . 0 "[ . 1 . 2]"
27 . 2 11 DA O3' 2 12 DG P 2 12 DG O5' 2 12 DG C5' -90.00 -30.00 -66.04 -68.88 -63.71 . . 0 "[ . 1 . 2]"
28 . 2 12 DG O3' 2 13 DT P 2 13 DT O5' 2 13 DT C5' -90.00 -30.00 -75.52 -78.09 -78.28 . . 0 "[ . 1 . 2]"
29 . 2 13 DT O3' 2 14 DA P 2 14 DA O5' 2 14 DA C5' -90.00 -30.00 -70.12 -74.60 -74.99 . . 0 "[ . 1 . 2]"
30 . 2 14 DA O3' 2 15 DG P 2 15 DG O5' 2 15 DG C5' -90.00 -30.00 -80.07 -88.08 -88.38 . . 0 "[ . 1 . 2]"
31 . 2 15 DG O3' 2 16 DT P 2 16 DT O5' 2 16 DT C5' -90.00 -30.00 -70.71 -72.09 -68.57 . . 0 "[ . 1 . 2]"
32 . 2 16 DT O3' 2 17 DG P 2 17 DG O5' 2 17 DG C5' -90.00 -30.00 -72.40 -72.34 -72.70 . . 0 "[ . 1 . 2]"
33 . 1 2 DA P 1 2 DA O5' 1 2 DA C5' 1 2 DA C4' 135.00 -145.00 -175.96 -176.49 -176.52 . . 0 "[ . 1 . 2]"
34 . 1 3 DC P 1 3 DC O5' 1 3 DC C5' 1 3 DC C4' 135.00 -145.00 -176.77 -177.80 -175.72 . . 0 "[ . 1 . 2]"
35 . 1 4 DT P 1 4 DT O5' 1 4 DT C5' 1 4 DT C4' 135.00 -145.00 -179.97 177.47 177.34 . . 0 "[ . 1 . 2]"
36 . 1 5 DA P 1 5 DA O5' 1 5 DA C5' 1 5 DA C4' 135.00 -145.00 -170.56 -169.55 -169.96 . . 0 "[ . 1 . 2]"
37 . 1 6 DC P 1 6 DC O5' 1 6 DC C5' 1 6 DC C4' 135.00 -145.00 -177.67 -179.45 -176.38 . . 0 "[ . 1 . 2]"
38 . 1 7 DT P 1 7 DT O5' 1 7 DT C5' 1 7 DT C4' 135.00 -145.00 -176.31 -177.01 -175.03 . . 0 "[ . 1 . 2]"
39 . 1 8 DC P 1 8 DC O5' 1 8 DC C5' 1 8 DC C4' 135.00 -145.00 177.77 176.47 178.83 . . 0 "[ . 1 . 2]"
40 . 1 9 DT P 1 9 DT O5' 1 9 DT C5' 1 9 DT C4' 135.00 -145.00 -179.83 -178.91 -179.11 . . 0 "[ . 1 . 2]"
41 . 1 10 DT P 1 10 DT O5' 1 10 DT C5' 1 10 DT C4' 135.00 -145.00 -177.26 -176.62 -177.03 . . 0 "[ . 1 . 2]"
42 . 1 11 DT P 1 11 DT O5' 1 11 DT C5' 1 11 DT C4' 135.00 -145.00 -172.43 -174.35 -170.37 . . 0 "[ . 1 . 2]"
43 . 1 12 DG P 1 12 DG O5' 1 12 DG C5' 1 12 DG C4' 135.00 -145.00 -169.82 -169.91 -170.07 . . 0 "[ . 1 . 2]"
44 . 1 13 DT P 1 13 DT O5' 1 13 DT C5' 1 13 DT C4' 135.00 -145.00 -168.25 -169.76 -166.48 . . 0 "[ . 1 . 2]"
45 . 1 14 DA P 1 14 DA O5' 1 14 DA C5' 1 14 DA C4' 135.00 -145.00 -175.73 -177.57 -171.38 . . 0 "[ . 1 . 2]"
46 . 1 15 DG P 1 15 DG O5' 1 15 DG C5' 1 15 DG C4' 135.00 -145.00 -176.31 139.81 -171.38 . . 0 "[ . 1 . 2]"
47 . 1 16 DT P 1 16 DT O5' 1 16 DT C5' 1 16 DT C4' 135.00 -145.00 -173.64 -176.97 -171.26 . . 0 "[ . 1 . 2]"
48 . 1 17 DG P 1 17 DG O5' 1 17 DG C5' 1 17 DG C4' 135.00 -145.00 -174.96 -179.07 -172.78 . . 0 "[ . 1 . 2]"
49 . 2 2 DA P 2 2 DA O5' 2 2 DA C5' 2 2 DA C4' 135.00 -145.00 178.90 179.55 179.19 . . 0 "[ . 1 . 2]"
50 . 2 3 DC P 2 3 DC O5' 2 3 DC C5' 2 3 DC C4' 135.00 -145.00 179.95 178.10 -176.11 . . 0 "[ . 1 . 2]"
51 . 2 4 DT P 2 4 DT O5' 2 4 DT C5' 2 4 DT C4' 135.00 -145.00 -177.42 -179.46 -175.09 . . 0 "[ . 1 . 2]"
52 . 2 5 DA P 2 5 DA O5' 2 5 DA C5' 2 5 DA C4' 135.00 -145.00 -175.73 -175.69 -175.85 . . 0 "[ . 1 . 2]"
53 . 2 6 DC P 2 6 DC O5' 2 6 DC C5' 2 6 DC C4' 135.00 -145.00 178.45 176.62 179.23 . . 0 "[ . 1 . 2]"
54 . 2 7 DA P 2 7 DA O5' 2 7 DA C5' 2 7 DA C4' 135.00 -145.00 -173.05 -173.76 -172.40 . . 0 "[ . 1 . 2]"
55 . 2 8 DA P 2 8 DA O5' 2 8 DA C5' 2 8 DA C4' 135.00 -145.00 -177.98 -178.29 -178.33 . . 0 "[ . 1 . 2]"
56 . 2 9 DA P 2 9 DA O5' 2 9 DA C5' 2 9 DA C4' 135.00 -145.00 -173.32 -174.16 -172.61 . . 0 "[ . 1 . 2]"
57 . 2 10 DG P 2 10 DG O5' 2 10 DG C5' 2 10 DG C4' 135.00 -145.00 -179.45 -179.54 -179.64 . . 0 "[ . 1 . 2]"
58 . 2 11 DA P 2 11 DA O5' 2 11 DA C5' 2 11 DA C4' 135.00 -145.00 -177.70 -177.02 -177.42 . . 0 "[ . 1 . 2]"
59 . 2 12 DG P 2 12 DG O5' 2 12 DG C5' 2 12 DG C4' 135.00 -145.00 -176.10 -175.38 -175.79 . . 0 "[ . 1 . 2]"
60 . 2 13 DT P 2 13 DT O5' 2 13 DT C5' 2 13 DT C4' 135.00 -145.00 180.00 -179.23 -179.35 . . 0 "[ . 1 . 2]"
61 . 2 14 DA P 2 14 DA O5' 2 14 DA C5' 2 14 DA C4' 135.00 -145.00 -176.73 -178.13 -175.30 . . 0 "[ . 1 . 2]"
62 . 2 15 DG P 2 15 DG O5' 2 15 DG C5' 2 15 DG C4' 135.00 -145.00 168.99 142.04 -171.27 . . 0 "[ . 1 . 2]"
63 . 2 16 DT P 2 16 DT O5' 2 16 DT C5' 2 16 DT C4' 135.00 -145.00 -173.98 -176.03 -171.10 . . 0 "[ . 1 . 2]"
64 . 2 17 DG P 2 17 DG O5' 2 17 DG C5' 2 17 DG C4' 135.00 -145.00 -176.66 -176.74 -176.85 . . 0 "[ . 1 . 2]"
65 . 1 2 DA O5' 1 2 DA C5' 1 2 DA C4' 1 2 DA C3' 30.00 90.00 52.20 50.79 53.47 . . 0 "[ . 1 . 2]"
66 . 1 3 DC O5' 1 3 DC C5' 1 3 DC C4' 1 3 DC C3' 30.00 90.00 53.04 52.97 52.46 . . 0 "[ . 1 . 2]"
67 . 1 4 DT O5' 1 4 DT C5' 1 4 DT C4' 1 4 DT C3' 30.00 90.00 57.42 55.64 59.65 . . 0 "[ . 1 . 2]"
68 . 1 5 DA O5' 1 5 DA C5' 1 5 DA C4' 1 5 DA C3' 30.00 90.00 52.12 50.18 54.40 . . 0 "[ . 1 . 2]"
69 . 1 6 DC O5' 1 6 DC C5' 1 6 DC C4' 1 6 DC C3' 30.00 90.00 57.74 57.88 57.74 . . 0 "[ . 1 . 2]"
70 . 1 7 DT O5' 1 7 DT C5' 1 7 DT C4' 1 7 DT C3' 30.00 90.00 56.58 56.33 56.15 . . 0 "[ . 1 . 2]"
71 . 1 8 DC O5' 1 8 DC C5' 1 8 DC C4' 1 8 DC C3' 30.00 90.00 56.49 58.03 57.38 . . 0 "[ . 1 . 2]"
72 . 1 9 DT O5' 1 9 DT C5' 1 9 DT C4' 1 9 DT C3' 30.00 90.00 63.11 63.45 63.38 . . 0 "[ . 1 . 2]"
73 . 1 10 DT O5' 1 10 DT C5' 1 10 DT C4' 1 10 DT C3' 30.00 90.00 55.60 54.57 56.42 . . 0 "[ . 1 . 2]"
74 . 1 11 DT O5' 1 11 DT C5' 1 11 DT C4' 1 11 DT C3' 30.00 90.00 53.81 54.25 54.20 . . 0 "[ . 1 . 2]"
75 . 1 12 DG O5' 1 12 DG C5' 1 12 DG C4' 1 12 DG C3' 30.00 90.00 54.29 55.07 54.95 . . 0 "[ . 1 . 2]"
76 . 1 13 DT O5' 1 13 DT C5' 1 13 DT C4' 1 13 DT C3' 30.00 90.00 57.52 57.71 57.49 . . 0 "[ . 1 . 2]"
77 . 1 14 DA O5' 1 14 DA C5' 1 14 DA C4' 1 14 DA C3' 30.00 90.00 57.32 58.35 58.07 . . 0 "[ . 1 . 2]"
78 . 1 15 DG O5' 1 15 DG C5' 1 15 DG C4' 1 15 DG C3' 30.00 90.00 55.24 42.13 57.99 . . 0 "[ . 1 . 2]"
79 . 1 16 DT O5' 1 16 DT C5' 1 16 DT C4' 1 16 DT C3' 30.00 90.00 56.22 58.00 57.75 . . 0 "[ . 1 . 2]"
80 . 1 17 DG O5' 1 17 DG C5' 1 17 DG C4' 1 17 DG C3' 30.00 90.00 53.09 55.13 54.70 . . 0 "[ . 1 . 2]"
81 . 2 2 DA O5' 2 2 DA C5' 2 2 DA C4' 2 2 DA C3' 30.00 90.00 54.57 49.60 65.33 . . 0 "[ . 1 . 2]"
82 . 2 3 DC O5' 2 3 DC C5' 2 3 DC C4' 2 3 DC C3' 30.00 90.00 57.43 58.67 58.50 . . 0 "[ . 1 . 2]"
83 . 2 4 DT O5' 2 4 DT C5' 2 4 DT C4' 2 4 DT C3' 30.00 90.00 58.73 59.61 59.15 . . 0 "[ . 1 . 2]"
84 . 2 5 DA O5' 2 5 DA C5' 2 5 DA C4' 2 5 DA C3' 30.00 90.00 56.24 56.56 56.48 . . 0 "[ . 1 . 2]"
85 . 2 6 DC O5' 2 6 DC C5' 2 6 DC C4' 2 6 DC C3' 30.00 90.00 58.13 58.26 58.03 . . 0 "[ . 1 . 2]"
86 . 2 7 DA O5' 2 7 DA C5' 2 7 DA C4' 2 7 DA C3' 30.00 90.00 59.50 59.88 59.78 . . 0 "[ . 1 . 2]"
87 . 2 8 DA O5' 2 8 DA C5' 2 8 DA C4' 2 8 DA C3' 30.00 90.00 62.27 60.49 63.36 . . 0 "[ . 1 . 2]"
88 . 2 9 DA O5' 2 9 DA C5' 2 9 DA C4' 2 9 DA C3' 30.00 90.00 57.46 58.47 58.14 . . 0 "[ . 1 . 2]"
89 . 2 10 DG O5' 2 10 DG C5' 2 10 DG C4' 2 10 DG C3' 30.00 90.00 59.88 59.06 60.65 . . 0 "[ . 1 . 2]"
90 . 2 11 DA O5' 2 11 DA C5' 2 11 DA C4' 2 11 DA C3' 30.00 90.00 61.13 60.95 60.94 . . 0 "[ . 1 . 2]"
91 . 2 12 DG O5' 2 12 DG C5' 2 12 DG C4' 2 12 DG C3' 30.00 90.00 58.64 56.74 59.90 . . 0 "[ . 1 . 2]"
92 . 2 13 DT O5' 2 13 DT C5' 2 13 DT C4' 2 13 DT C3' 30.00 90.00 53.37 52.25 51.77 . . 0 "[ . 1 . 2]"
93 . 2 14 DA O5' 2 14 DA C5' 2 14 DA C4' 2 14 DA C3' 30.00 90.00 54.42 52.25 51.59 . . 0 "[ . 1 . 2]"
94 . 2 15 DG O5' 2 15 DG C5' 2 15 DG C4' 2 15 DG C3' 30.00 90.00 49.00 45.51 45.23 . . 0 "[ . 1 . 2]"
95 . 2 16 DT O5' 2 16 DT C5' 2 16 DT C4' 2 16 DT C3' 30.00 90.00 52.40 53.77 53.35 . . 0 "[ . 1 . 2]"
96 . 2 17 DG O5' 2 17 DG C5' 2 17 DG C4' 2 17 DG C3' 30.00 90.00 52.54 51.60 53.64 . . 0 "[ . 1 . 2]"
97 . 1 1 DC C3' 1 1 DC O3' 1 2 DA P 1 2 DA O5' 150.00 -45.00 -89.84 -90.07 -90.19 . . 0 "[ . 1 . 2]"
98 . 1 2 DA C3' 1 2 DA O3' 1 3 DC P 1 3 DC O5' 150.00 -45.00 -93.87 -91.14 -91.67 . . 0 "[ . 1 . 2]"
99 . 1 3 DC C3' 1 3 DC O3' 1 4 DT P 1 4 DT O5' 150.00 -45.00 -83.81 -74.65 -74.75 . . 0 "[ . 1 . 2]"
100 . 1 4 DT C3' 1 4 DT O3' 1 5 DA P 1 5 DA O5' 150.00 -45.00 -86.65 -88.30 -88.56 . . 0 "[ . 1 . 2]"
101 . 1 5 DA C3' 1 5 DA O3' 1 6 DC P 1 6 DC O5' 150.00 -45.00 -102.26 -104.71 -98.93 . . 0 "[ . 1 . 2]"
102 . 1 6 DC C3' 1 6 DC O3' 1 7 DT P 1 7 DT O5' 150.00 -45.00 -84.92 -83.86 -83.99 . . 0 "[ . 1 . 2]"
103 . 1 7 DT C3' 1 7 DT O3' 1 8 DC P 1 8 DC O5' 150.00 -45.00 -104.88 -108.15 -102.77 . . 0 "[ . 1 . 2]"
104 . 1 8 DC C3' 1 8 DC O3' 1 9 DT P 1 9 DT O5' 150.00 -45.00 -68.20 -67.71 -68.05 . . 0 "[ . 1 . 2]"
105 . 1 9 DT C3' 1 9 DT O3' 1 10 DT P 1 10 DT O5' 150.00 -45.00 -87.30 -87.47 -87.55 . . 0 "[ . 1 . 2]"
106 . 1 10 DT C3' 1 10 DT O3' 1 11 DT P 1 11 DT O5' 150.00 -45.00 -91.79 -94.29 -90.00 . . 0 "[ . 1 . 2]"
107 . 1 11 DT C3' 1 11 DT O3' 1 12 DG P 1 12 DG O5' 150.00 -45.00 -105.07 -106.29 -103.00 . . 0 "[ . 1 . 2]"
108 . 1 12 DG C3' 1 12 DG O3' 1 13 DT P 1 13 DT O5' 150.00 -45.00 -102.44 -104.56 -98.87 . . 0 "[ . 1 . 2]"
109 . 1 13 DT C3' 1 13 DT O3' 1 14 DA P 1 14 DA O5' 150.00 -45.00 -99.83 -102.91 -95.21 . . 0 "[ . 1 . 2]"
110 . 1 14 DA C3' 1 14 DA O3' 1 15 DG P 1 15 DG O5' 150.00 -45.00 -100.50 -93.45 -94.10 . . 0 "[ . 1 . 2]"
111 . 1 15 DG C3' 1 15 DG O3' 1 16 DT P 1 16 DT O5' 150.00 -45.00 -98.74 -118.04 -93.54 . . 0 "[ . 1 . 2]"
112 . 1 16 DT C3' 1 16 DT O3' 1 17 DG P 1 17 DG O5' 150.00 -45.00 -80.85 -85.35 -52.42 . . 0 "[ . 1 . 2]"
113 . 2 1 DC C3' 2 1 DC O3' 2 2 DA P 2 2 DA O5' 150.00 -45.00 -77.67 -79.31 -79.80 . . 0 "[ . 1 . 2]"
114 . 2 2 DA C3' 2 2 DA O3' 2 3 DC P 2 3 DC O5' 150.00 -45.00 -93.72 -94.25 -94.50 . . 0 "[ . 1 . 2]"
115 . 2 3 DC C3' 2 3 DC O3' 2 4 DT P 2 4 DT O5' 150.00 -45.00 -92.66 -94.20 -94.94 . . 0 "[ . 1 . 2]"
116 . 2 4 DT C3' 2 4 DT O3' 2 5 DA P 2 5 DA O5' 150.00 -45.00 -84.91 -87.09 -83.57 . . 0 "[ . 1 . 2]"
117 . 2 5 DA C3' 2 5 DA O3' 2 6 DC P 2 6 DC O5' 150.00 -45.00 -95.79 -98.95 -92.51 . . 0 "[ . 1 . 2]"
118 . 2 6 DC C3' 2 6 DC O3' 2 7 DA P 2 7 DA O5' 150.00 -45.00 -77.48 -78.33 -76.13 . . 0 "[ . 1 . 2]"
119 . 2 7 DA C3' 2 7 DA O3' 2 8 DA P 2 8 DA O5' 150.00 -45.00 -111.43 -111.33 -111.86 . . 0 "[ . 1 . 2]"
120 . 2 8 DA C3' 2 8 DA O3' 2 9 DA P 2 9 DA O5' 150.00 -45.00 -94.44 -96.39 -91.82 . . 0 "[ . 1 . 2]"
121 . 2 9 DA C3' 2 9 DA O3' 2 10 DG P 2 10 DG O5' 150.00 -45.00 -102.15 -109.82 -97.14 . . 0 "[ . 1 . 2]"
122 . 2 10 DG C3' 2 10 DG O3' 2 11 DA P 2 11 DA O5' 150.00 -45.00 -95.22 -94.25 -94.55 . . 0 "[ . 1 . 2]"
123 . 2 11 DA C3' 2 11 DA O3' 2 12 DG P 2 12 DG O5' 150.00 -45.00 -95.82 -95.15 -95.43 . . 0 "[ . 1 . 2]"
124 . 2 12 DG C3' 2 12 DG O3' 2 13 DT P 2 13 DT O5' 150.00 -45.00 -79.95 -81.57 -78.93 . . 0 "[ . 1 . 2]"
125 . 2 13 DT C3' 2 13 DT O3' 2 14 DA P 2 14 DA O5' 150.00 -45.00 -79.42 -81.65 -78.10 . . 0 "[ . 1 . 2]"
126 . 2 14 DA C3' 2 14 DA O3' 2 15 DG P 2 15 DG O5' 150.00 -45.00 -139.96 155.25 -91.09 . . 0 "[ . 1 . 2]"
127 . 2 15 DG C3' 2 15 DG O3' 2 16 DT P 2 16 DT O5' 150.00 -45.00 -84.44 -86.83 -87.30 . . 0 "[ . 1 . 2]"
128 . 2 16 DT C3' 2 16 DT O3' 2 17 DG P 2 17 DG O5' 150.00 -45.00 -79.99 -81.84 -78.60 . . 0 "[ . 1 . 2]"
129 . 1 1 DC C4' 1 1 DC C3' 1 1 DC O3' 1 2 DA P 140.00 -60.00 172.82 170.41 175.30 . . 0 "[ . 1 . 2]"
130 . 1 2 DA C4' 1 2 DA C3' 1 2 DA O3' 1 3 DC P 140.00 -60.00 174.62 172.91 177.08 . . 0 "[ . 1 . 2]"
131 . 1 3 DC C4' 1 3 DC C3' 1 3 DC O3' 1 4 DT P 140.00 -60.00 174.50 172.90 176.11 . . 0 "[ . 1 . 2]"
132 . 1 4 DT C4' 1 4 DT C3' 1 4 DT O3' 1 5 DA P 140.00 -60.00 173.74 172.34 174.81 . . 0 "[ . 1 . 2]"
133 . 1 5 DA C4' 1 5 DA C3' 1 5 DA O3' 1 6 DC P 140.00 -60.00 172.35 173.14 173.02 . . 0 "[ . 1 . 2]"
134 . 1 6 DC C4' 1 6 DC C3' 1 6 DC O3' 1 7 DT P 140.00 -60.00 174.54 176.29 175.72 . . 0 "[ . 1 . 2]"
135 . 1 7 DT C4' 1 7 DT C3' 1 7 DT O3' 1 8 DC P 140.00 -60.00 175.58 175.44 175.38 . . 0 "[ . 1 . 2]"
136 . 1 8 DC C4' 1 8 DC C3' 1 8 DC O3' 1 9 DT P 140.00 -60.00 173.22 172.14 175.02 . . 0 "[ . 1 . 2]"
137 . 1 9 DT C4' 1 9 DT C3' 1 9 DT O3' 1 10 DT P 140.00 -60.00 169.09 169.45 169.18 . . 0 "[ . 1 . 2]"
138 . 1 10 DT C4' 1 10 DT C3' 1 10 DT O3' 1 11 DT P 140.00 -60.00 172.92 171.99 174.30 . . 0 "[ . 1 . 2]"
139 . 1 11 DT C4' 1 11 DT C3' 1 11 DT O3' 1 12 DG P 140.00 -60.00 168.29 168.09 168.04 . . 0 "[ . 1 . 2]"
140 . 1 12 DG C4' 1 12 DG C3' 1 12 DG O3' 1 13 DT P 140.00 -60.00 166.59 166.28 166.27 . . 0 "[ . 1 . 2]"
141 . 1 13 DT C4' 1 13 DT C3' 1 13 DT O3' 1 14 DA P 140.00 -60.00 173.12 172.89 172.80 . . 0 "[ . 1 . 2]"
142 . 1 14 DA C4' 1 14 DA C3' 1 14 DA O3' 1 15 DG P 140.00 -60.00 -179.01 174.99 174.40 . . 0 "[ . 1 . 2]"
143 . 1 15 DG C4' 1 15 DG C3' 1 15 DG O3' 1 16 DT P 140.00 -60.00 170.22 169.61 168.90 . . 0 "[ . 1 . 2]"
144 . 1 16 DT C4' 1 16 DT C3' 1 16 DT O3' 1 17 DG P 140.00 -60.00 176.63 174.46 -175.28 . . 0 "[ . 1 . 2]"
145 . 2 1 DC C4' 2 1 DC C3' 2 1 DC O3' 2 2 DA P 140.00 -60.00 178.18 176.11 175.79 . . 0 "[ . 1 . 2]"
146 . 2 2 DA C4' 2 2 DA C3' 2 2 DA O3' 2 3 DC P 140.00 -60.00 171.14 170.54 170.18 . . 0 "[ . 1 . 2]"
147 . 2 3 DC C4' 2 3 DC C3' 2 3 DC O3' 2 4 DT P 140.00 -60.00 173.95 172.04 176.80 . . 0 "[ . 1 . 2]"
148 . 2 4 DT C4' 2 4 DT C3' 2 4 DT O3' 2 5 DA P 140.00 -60.00 170.53 168.67 172.95 . . 0 "[ . 1 . 2]"
149 . 2 5 DA C4' 2 5 DA C3' 2 5 DA O3' 2 6 DC P 140.00 -60.00 173.85 172.44 174.69 . . 0 "[ . 1 . 2]"
150 . 2 6 DC C4' 2 6 DC C3' 2 6 DC O3' 2 7 DA P 140.00 -60.00 170.87 169.91 172.28 . . 0 "[ . 1 . 2]"
151 . 2 7 DA C4' 2 7 DA C3' 2 7 DA O3' 2 8 DA P 140.00 -60.00 177.61 177.69 177.62 . . 0 "[ . 1 . 2]"
152 . 2 8 DA C4' 2 8 DA C3' 2 8 DA O3' 2 9 DA P 140.00 -60.00 176.85 175.48 177.79 . . 0 "[ . 1 . 2]"
153 . 2 9 DA C4' 2 9 DA C3' 2 9 DA O3' 2 10 DG P 140.00 -60.00 172.19 171.33 173.21 . . 0 "[ . 1 . 2]"
154 . 2 10 DG C4' 2 10 DG C3' 2 10 DG O3' 2 11 DA P 140.00 -60.00 164.13 162.39 165.83 . . 0 "[ . 1 . 2]"
155 . 2 11 DA C4' 2 11 DA C3' 2 11 DA O3' 2 12 DG P 140.00 -60.00 172.04 172.84 172.74 . . 0 "[ . 1 . 2]"
156 . 2 12 DG C4' 2 12 DG C3' 2 12 DG O3' 2 13 DT P 140.00 -60.00 177.10 174.93 -178.29 . . 0 "[ . 1 . 2]"
157 . 2 13 DT C4' 2 13 DT C3' 2 13 DT O3' 2 14 DA P 140.00 -60.00 173.19 169.98 176.76 . . 0 "[ . 1 . 2]"
158 . 2 14 DA C4' 2 14 DA C3' 2 14 DA O3' 2 15 DG P 140.00 -60.00 -135.05 -67.83 -68.35 . . 0 "[ . 1 . 2]"
159 . 2 15 DG C4' 2 15 DG C3' 2 15 DG O3' 2 16 DT P 140.00 -60.00 172.48 171.67 171.62 . . 0 "[ . 1 . 2]"
160 . 2 16 DT C4' 2 16 DT C3' 2 16 DT O3' 2 17 DG P 140.00 -60.00 175.66 175.39 175.29 . . 0 "[ . 1 . 2]"
161 . 1 1 DC O4' 1 1 DC C1' 1 1 DC N1 1 1 DC C6 27.00 107.00 52.73 48.55 58.08 . . 0 "[ . 1 . 2]"
162 . 1 2 DA O4' 1 2 DA C1' 1 2 DA N9 1 2 DA C8 27.00 107.00 61.11 60.94 60.78 . . 0 "[ . 1 . 2]"
163 . 1 3 DC O4' 1 3 DC C1' 1 3 DC N1 1 3 DC C6 27.00 107.00 40.81 28.23 27.53 0.07 12 0 "[ . 1 . 2]"
164 . 1 4 DT O4' 1 4 DT C1' 1 4 DT N1 1 4 DT C6 27.00 107.00 42.64 37.31 46.90 . . 0 "[ . 1 . 2]"
165 . 1 5 DA O4' 1 5 DA C1' 1 5 DA N9 1 5 DA C8 27.00 107.00 58.08 55.66 60.23 . . 0 "[ . 1 . 2]"
166 . 1 6 DC O4' 1 6 DC C1' 1 6 DC N1 1 6 DC C6 27.00 107.00 30.29 26.96 58.85 0.04 2 0 "[ . 1 . 2]"
167 . 1 7 DT O4' 1 7 DT C1' 1 7 DT N1 1 7 DT C6 27.00 107.00 51.85 51.67 51.26 . . 0 "[ . 1 . 2]"
168 . 1 8 DC O4' 1 8 DC C1' 1 8 DC N1 1 8 DC C6 27.00 107.00 27.41 26.78 29.62 0.22 18 0 "[ . 1 . 2]"
169 . 1 9 DT O4' 1 9 DT C1' 1 9 DT N1 1 9 DT C6 27.00 107.00 58.47 50.25 61.54 . . 0 "[ . 1 . 2]"
170 . 1 10 DT O4' 1 10 DT C1' 1 10 DT N1 1 10 DT C6 27.00 107.00 44.62 42.29 47.01 . . 0 "[ . 1 . 2]"
171 . 1 11 DT O4' 1 11 DT C1' 1 11 DT N1 1 11 DT C6 27.00 107.00 37.28 34.53 40.43 . . 0 "[ . 1 . 2]"
172 . 1 12 DG O4' 1 12 DG C1' 1 12 DG N9 1 12 DG C8 27.00 107.00 56.10 54.81 59.91 . . 0 "[ . 1 . 2]"
173 . 1 13 DT O4' 1 13 DT C1' 1 13 DT N1 1 13 DT C6 27.00 107.00 38.45 35.20 44.49 . . 0 "[ . 1 . 2]"
174 . 1 14 DA O4' 1 14 DA C1' 1 14 DA N9 1 14 DA C8 27.00 107.00 58.81 54.27 82.77 . . 0 "[ . 1 . 2]"
175 . 1 15 DG O4' 1 15 DG C1' 1 15 DG N9 1 15 DG C8 27.00 107.00 58.62 54.91 68.86 . . 0 "[ . 1 . 2]"
176 . 1 16 DT O4' 1 16 DT C1' 1 16 DT N1 1 16 DT C6 27.00 107.00 31.62 26.80 50.78 0.20 18 0 "[ . 1 . 2]"
177 . 1 17 DG O4' 1 17 DG C1' 1 17 DG N9 1 17 DG C8 27.00 107.00 72.44 64.89 85.92 . . 0 "[ . 1 . 2]"
178 . 2 1 DC O4' 2 1 DC C1' 2 1 DC N1 2 1 DC C6 27.00 107.00 34.09 25.91 44.48 1.09 15 0 "[ . 1 . 2]"
179 . 2 2 DA O4' 2 2 DA C1' 2 2 DA N9 2 2 DA C8 27.00 107.00 67.27 72.22 70.85 . . 0 "[ . 1 . 2]"
180 . 2 3 DC O4' 2 3 DC C1' 2 3 DC N1 2 3 DC C6 27.00 107.00 45.70 49.39 48.94 . . 0 "[ . 1 . 2]"
181 . 2 4 DT O4' 2 4 DT C1' 2 4 DT N1 2 4 DT C6 27.00 107.00 28.28 26.80 31.46 0.20 15 0 "[ . 1 . 2]"
182 . 2 5 DA O4' 2 5 DA C1' 2 5 DA N9 2 5 DA C8 27.00 107.00 51.26 51.39 51.08 . . 0 "[ . 1 . 2]"
183 . 2 6 DC O4' 2 6 DC C1' 2 6 DC N1 2 6 DC C6 27.00 107.00 48.44 46.48 50.67 . . 0 "[ . 1 . 2]"
184 . 2 7 DA O4' 2 7 DA C1' 2 7 DA N9 2 7 DA C8 27.00 107.00 51.95 49.85 53.07 . . 0 "[ . 1 . 2]"
185 . 2 8 DA O4' 2 8 DA C1' 2 8 DA N9 2 8 DA C8 27.00 107.00 50.09 46.80 52.40 . . 0 "[ . 1 . 2]"
186 . 2 9 DA O4' 2 9 DA C1' 2 9 DA N9 2 9 DA C8 27.00 107.00 65.91 64.06 68.02 . . 0 "[ . 1 . 2]"
187 . 2 10 DG O4' 2 10 DG C1' 2 10 DG N9 2 10 DG C8 27.00 107.00 71.28 64.63 74.19 . . 0 "[ . 1 . 2]"
188 . 2 11 DA O4' 2 11 DA C1' 2 11 DA N9 2 11 DA C8 27.00 107.00 51.90 46.43 56.25 . . 0 "[ . 1 . 2]"
189 . 2 12 DG O4' 2 12 DG C1' 2 12 DG N9 2 12 DG C8 27.00 107.00 49.47 44.55 52.69 . . 0 "[ . 1 . 2]"
190 . 2 13 DT O4' 2 13 DT C1' 2 13 DT N1 2 13 DT C6 27.00 107.00 42.66 39.01 46.98 . . 0 "[ . 1 . 2]"
191 . 2 14 DA O4' 2 14 DA C1' 2 14 DA N9 2 14 DA C8 27.00 107.00 72.61 65.48 80.68 . . 0 "[ . 1 . 2]"
192 . 2 15 DG O4' 2 15 DG C1' 2 15 DG N9 2 15 DG C8 27.00 107.00 67.62 55.73 81.27 . . 0 "[ . 1 . 2]"
193 . 2 16 DT O4' 2 16 DT C1' 2 16 DT N1 2 16 DT C6 27.00 107.00 50.68 36.66 60.69 . . 0 "[ . 1 . 2]"
194 . 2 17 DG O4' 2 17 DG C1' 2 17 DG N9 2 17 DG C8 27.00 107.00 79.19 75.56 83.76 . . 0 "[ . 1 . 2]"
195 . 1 2 DA O3' 1 2 DA C3' 1 2 DA C4' 1 2 DA C5' 80.00 145.00 129.52 124.47 134.59 . . 0 "[ . 1 . 2]"
196 . 1 3 DC O3' 1 3 DC C3' 1 3 DC C4' 1 3 DC C5' 80.00 145.00 101.05 86.51 85.75 . . 0 "[ . 1 . 2]"
197 . 1 4 DT O3' 1 4 DT C3' 1 4 DT C4' 1 4 DT C5' 80.00 145.00 127.17 121.31 133.27 . . 0 "[ . 1 . 2]"
198 . 1 5 DA O3' 1 5 DA C3' 1 5 DA C4' 1 5 DA C5' 80.00 145.00 127.55 124.20 130.58 . . 0 "[ . 1 . 2]"
199 . 1 6 DC O3' 1 6 DC C3' 1 6 DC C4' 1 6 DC C5' 80.00 145.00 124.58 121.77 133.92 . . 0 "[ . 1 . 2]"
200 . 1 7 DT O3' 1 7 DT C3' 1 7 DT C4' 1 7 DT C5' 80.00 145.00 117.43 116.32 116.03 . . 0 "[ . 1 . 2]"
201 . 1 8 DC O3' 1 8 DC C3' 1 8 DC C4' 1 8 DC C5' 80.00 145.00 83.35 84.00 83.53 . . 0 "[ . 1 . 2]"
202 . 1 9 DT O3' 1 9 DT C3' 1 9 DT C4' 1 9 DT C5' 80.00 145.00 144.29 145.02 144.94 0.18 6 0 "[ . 1 . 2]"
203 . 1 10 DT O3' 1 10 DT C3' 1 10 DT C4' 1 10 DT C5' 80.00 145.00 129.07 126.71 131.00 . . 0 "[ . 1 . 2]"
204 . 1 11 DT O3' 1 11 DT C3' 1 11 DT C4' 1 11 DT C5' 80.00 145.00 133.31 134.17 133.89 . . 0 "[ . 1 . 2]"
205 . 1 12 DG O3' 1 12 DG C3' 1 12 DG C4' 1 12 DG C5' 80.00 145.00 138.17 138.70 138.59 . . 0 "[ . 1 . 2]"
206 . 1 13 DT O3' 1 13 DT C3' 1 13 DT C4' 1 13 DT C5' 80.00 145.00 136.77 136.82 136.38 . . 0 "[ . 1 . 2]"
207 . 1 14 DA O3' 1 14 DA C3' 1 14 DA C4' 1 14 DA C5' 80.00 145.00 129.79 126.18 126.14 . . 0 "[ . 1 . 2]"
208 . 1 15 DG O3' 1 15 DG C3' 1 15 DG C4' 1 15 DG C5' 80.00 145.00 129.70 126.86 135.06 . . 0 "[ . 1 . 2]"
209 . 1 16 DT O3' 1 16 DT C3' 1 16 DT C4' 1 16 DT C5' 80.00 145.00 119.71 80.16 133.61 . . 0 "[ . 1 . 2]"
210 . 2 2 DA O3' 2 2 DA C3' 2 2 DA C4' 2 2 DA C5' 80.00 145.00 133.96 134.15 132.91 0.89 13 0 "[ . 1 . 2]"
211 . 2 3 DC O3' 2 3 DC C3' 2 3 DC C4' 2 3 DC C5' 80.00 145.00 122.88 117.35 127.93 . . 0 "[ . 1 . 2]"
212 . 2 4 DT O3' 2 4 DT C3' 2 4 DT C4' 2 4 DT C5' 80.00 145.00 124.86 121.78 127.69 . . 0 "[ . 1 . 2]"
213 . 2 5 DA O3' 2 5 DA C3' 2 5 DA C4' 2 5 DA C5' 80.00 145.00 112.27 114.53 113.32 . . 0 "[ . 1 . 2]"
214 . 2 6 DC O3' 2 6 DC C3' 2 6 DC C4' 2 6 DC C5' 80.00 145.00 111.52 113.44 112.55 . . 0 "[ . 1 . 2]"
215 . 2 7 DA O3' 2 7 DA C3' 2 7 DA C4' 2 7 DA C5' 80.00 145.00 126.36 122.05 130.03 . . 0 "[ . 1 . 2]"
216 . 2 8 DA O3' 2 8 DA C3' 2 8 DA C4' 2 8 DA C5' 80.00 145.00 128.05 121.50 132.87 . . 0 "[ . 1 . 2]"
217 . 2 9 DA O3' 2 9 DA C3' 2 9 DA C4' 2 9 DA C5' 80.00 145.00 125.71 127.16 126.94 . . 0 "[ . 1 . 2]"
218 . 2 10 DG O3' 2 10 DG C3' 2 10 DG C4' 2 10 DG C5' 80.00 145.00 134.16 135.61 135.02 . . 0 "[ . 1 . 2]"
219 . 2 11 DA O3' 2 11 DA C3' 2 11 DA C4' 2 11 DA C5' 80.00 145.00 129.45 127.53 131.25 . . 0 "[ . 1 . 2]"
220 . 2 12 DG O3' 2 12 DG C3' 2 12 DG C4' 2 12 DG C5' 80.00 145.00 121.24 121.81 121.55 . . 0 "[ . 1 . 2]"
221 . 2 13 DT O3' 2 13 DT C3' 2 13 DT C4' 2 13 DT C5' 80.00 145.00 93.36 94.49 93.88 . . 0 "[ . 1 . 2]"
222 . 2 14 DA O3' 2 14 DA C3' 2 14 DA C4' 2 14 DA C5' 80.00 145.00 137.74 142.48 141.89 . . 0 "[ . 1 . 2]"
223 . 2 15 DG O3' 2 15 DG C3' 2 15 DG C4' 2 15 DG C5' 80.00 145.00 133.34 125.15 143.38 . . 0 "[ . 1 . 2]"
224 . 2 16 DT O3' 2 16 DT C3' 2 16 DT C4' 2 16 DT C5' 80.00 145.00 109.26 105.29 111.62 . . 0 "[ . 1 . 2]"
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Contact the webmaster for help, if required. Tuesday, May 14, 2024 11:47:09 AM GMT (wattos1)