NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
510159 |
2ky8   |
16936 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ky8
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 230
_TA_constraint_stats_list.Viol_count 514
_TA_constraint_stats_list.Viol_total 17214.81
_TA_constraint_stats_list.Viol_max 9.98
_TA_constraint_stats_list.Viol_rms 0.62
_TA_constraint_stats_list.Viol_average_all_restraints 0.19
_TA_constraint_stats_list.Viol_average_violations_only 1.67
_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 6 GLY C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -96.70 -56.70 -82.08 -88.72 -74.61 . . 0 "[ . 1 . 2]"
2 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 THR N 109.40 169.40 153.01 136.22 170.06 0.66 17 0 "[ . 1 . 2]"
3 . 1 7 ARG C 1 8 THR N 1 8 THR CA 1 8 THR C -141.10 -61.10 -140.81 -141.79 -141.92 1.09 5 0 "[ . 1 . 2]"
4 . 1 8 THR C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -124.40 -44.40 -77.07 -120.18 -64.41 . . 0 "[ . 1 . 2]"
5 . 1 9 ASP C 1 10 CYS N 1 10 CYS CA 1 10 CYS C -121.60 -61.60 -107.44 -122.18 -69.89 0.58 3 0 "[ . 1 . 2]"
6 . 1 10 CYS N 1 10 CYS CA 1 10 CYS C 1 11 PRO N 117.20 157.20 123.13 114.83 153.26 2.37 19 0 "[ . 1 . 2]"
7 . 1 10 CYS C 1 11 PRO N 1 11 PRO CA 1 11 PRO C -89.10 -29.10 -72.40 -73.90 -74.16 . . 0 "[ . 1 . 2]"
8 . 1 11 PRO C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -110.30 -50.30 -86.45 -100.75 -104.97 1.43 15 0 "[ . 1 . 2]"
9 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 LEU N -40.40 -0.40 -22.56 -42.82 -6.04 2.42 9 0 "[ . 1 . 2]"
10 . 1 12 ALA C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -132.00 -72.00 -101.72 -121.35 -69.94 2.06 4 0 "[ . 1 . 2]"
11 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 PRO N 74.00 154.00 149.07 143.22 154.58 0.58 1 0 "[ . 1 . 2]"
12 . 1 14 PRO C 1 15 PRO N 1 15 PRO CA 1 15 PRO C -85.80 -25.80 -52.53 -48.39 -48.80 . . 0 "[ . 1 . 2]"
13 . 1 15 PRO N 1 15 PRO CA 1 15 PRO C 1 16 GLY N 119.50 159.50 126.64 119.09 147.98 0.41 3 0 "[ . 1 . 2]"
14 . 1 15 PRO C 1 16 GLY N 1 16 GLY CA 1 16 GLY C 62.00 122.00 118.09 118.83 117.07 1.08 3 0 "[ . 1 . 2]"
15 . 1 16 GLY C 1 17 TRP N 1 17 TRP CA 1 17 TRP C -117.80 -37.80 -60.40 -67.53 -55.54 . . 0 "[ . 1 . 2]"
16 . 1 17 TRP N 1 17 TRP CA 1 17 TRP C 1 18 LYS N 119.10 159.10 135.68 132.59 140.27 . . 0 "[ . 1 . 2]"
17 . 1 17 TRP C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -174.00 -94.00 -125.86 -120.38 -121.65 . . 0 "[ . 1 . 2]"
18 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 LYS N 127.80 167.80 150.91 144.05 160.93 . . 0 "[ . 1 . 2]"
19 . 1 18 LYS C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -157.40 -97.40 -135.09 -133.18 -135.20 . . 0 "[ . 1 . 2]"
20 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 GLU N 117.50 157.50 143.62 134.19 154.91 . . 0 "[ . 1 . 2]"
21 . 1 19 LYS C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -160.20 -100.20 -128.12 -125.37 -126.62 . . 0 "[ . 1 . 2]"
22 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 GLU N 110.40 170.40 152.01 138.41 169.53 . . 0 "[ . 1 . 2]"
23 . 1 20 GLU C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -147.60 -87.60 -125.49 -127.55 -127.79 . . 0 "[ . 1 . 2]"
24 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 VAL N 97.70 157.70 116.99 115.31 114.39 . . 0 "[ . 1 . 2]"
25 . 1 21 GLU C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -164.30 -84.30 -110.07 -122.84 -94.58 . . 0 "[ . 1 . 2]"
26 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 ILE N 92.00 152.00 131.50 131.78 131.52 . . 0 "[ . 1 . 2]"
27 . 1 22 VAL C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -131.50 -71.50 -102.36 -107.21 -99.00 . . 0 "[ . 1 . 2]"
28 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 ARG N 95.60 155.60 133.28 132.14 129.79 . . 0 "[ . 1 . 2]"
29 . 1 23 ILE C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -103.10 -43.10 -52.14 -64.11 -42.14 0.96 4 0 "[ . 1 . 2]"
30 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 LYS N 90.70 150.70 111.81 107.25 106.93 0.45 3 0 "[ . 1 . 2]"
31 . 1 24 ARG C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -146.60 -66.60 -90.67 -111.74 -74.83 . . 0 "[ . 1 . 2]"
32 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 SER N -58.00 2.00 -15.60 -10.03 -11.02 . . 0 "[ . 1 . 2]"
33 . 1 25 LYS C 1 26 SER N 1 26 SER CA 1 26 SER C -160.00 -90.00 -104.52 -98.42 -99.00 9.98 18 2 "[ . 1 - . + 2]"
34 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 GLY N 133.10 -166.90 142.25 130.64 130.43 4.45 12 0 "[ . 1 . 2]"
35 . 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 LEU N 134.40 -165.60 142.88 144.15 143.24 . . 0 "[ . 1 . 2]"
36 . 1 27 GLY C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -90.20 -30.20 -65.98 -72.10 -59.89 . . 0 "[ . 1 . 2]"
37 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 SER N -55.10 -15.10 -30.01 -43.88 -15.19 . . 0 "[ . 1 . 2]"
38 . 1 28 LEU C 1 29 SER N 1 29 SER CA 1 29 SER C -130.50 -50.50 -63.35 -61.97 -62.71 . . 0 "[ . 1 . 2]"
39 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 ALA N -37.20 22.80 22.85 6.37 26.04 3.24 6 0 "[ . 1 . 2]"
40 . 1 29 SER C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -90.00 -30.00 -46.63 -44.16 -45.02 . . 0 "[ . 1 . 2]"
41 . 1 30 ALA C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 66.40 126.40 123.16 128.09 128.06 2.58 3 0 "[ . 1 . 2]"
42 . 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 LYS N -36.30 3.70 -22.95 -22.72 -22.88 . . 0 "[ . 1 . 2]"
43 . 1 31 GLY C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -117.90 -37.90 -79.46 -87.04 -69.25 . . 0 "[ . 1 . 2]"
44 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 SER N 124.80 164.80 132.10 130.22 129.39 0.20 20 0 "[ . 1 . 2]"
45 . 1 32 LYS C 1 33 SER N 1 33 SER CA 1 33 SER C -154.20 -94.20 -132.75 -144.54 -117.89 . . 0 "[ . 1 . 2]"
46 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 ASP N 113.80 173.80 154.47 154.69 154.29 . . 0 "[ . 1 . 2]"
47 . 1 33 SER C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -171.00 -91.00 -126.98 -131.94 -118.57 . . 0 "[ . 1 . 2]"
48 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 VAL N 127.40 167.40 145.98 151.75 149.50 . . 0 "[ . 1 . 2]"
49 . 1 34 ASP C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -156.60 -76.60 -109.01 -117.91 -100.77 . . 0 "[ . 1 . 2]"
50 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 TYR N 110.70 150.70 130.45 135.27 133.32 . . 0 "[ . 1 . 2]"
51 . 1 35 VAL C 1 36 TYR N 1 36 TYR CA 1 36 TYR C -156.80 -96.80 -113.89 -112.41 -113.61 . . 0 "[ . 1 . 2]"
52 . 1 36 TYR N 1 36 TYR CA 1 36 TYR C 1 37 TYR N 140.20 -179.80 146.62 139.83 152.90 0.37 12 0 "[ . 1 . 2]"
53 . 1 36 TYR C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -169.80 -89.80 -122.08 -120.91 -122.10 . . 0 "[ . 1 . 2]"
54 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 PHE N 130.10 170.10 135.20 129.51 144.53 0.59 2 0 "[ . 1 . 2]"
55 . 1 37 TYR C 1 38 PHE N 1 38 PHE CA 1 38 PHE C -166.00 -106.00 -117.33 -115.12 -115.58 . . 0 "[ . 1 . 2]"
56 . 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 SER N 122.80 162.80 133.07 128.84 139.51 . . 0 "[ . 1 . 2]"
57 . 1 38 PHE C 1 39 SER N 1 39 SER CA 1 39 SER C -120.90 -40.90 -99.47 -115.46 -82.04 . . 0 "[ . 1 . 2]"
58 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 PRO N 90.70 170.70 166.83 170.84 167.72 0.87 15 0 "[ . 1 . 2]"
59 . 1 39 SER C 1 40 PRO N 1 40 PRO CA 1 40 PRO C -87.60 -27.60 -56.74 -63.26 -50.58 . . 0 "[ . 1 . 2]"
60 . 1 40 PRO C 1 41 SER N 1 41 SER CA 1 41 SER C -136.70 -36.70 -76.92 -86.50 -60.40 . . 0 "[ . 1 . 2]"
61 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 GLY N -28.00 12.00 -10.70 -17.29 -26.92 1.64 10 0 "[ . 1 . 2]"
62 . 1 42 GLY C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -111.90 -51.90 -75.77 -80.39 -72.38 . . 0 "[ . 1 . 2]"
63 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 LYS N 105.20 165.20 141.19 141.17 140.57 . . 0 "[ . 1 . 2]"
64 . 1 43 LYS C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -141.70 -81.70 -94.55 -93.98 -95.83 . . 0 "[ . 1 . 2]"
65 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 PHE N 108.30 148.30 141.09 135.51 147.10 . . 0 "[ . 1 . 2]"
66 . 1 44 LYS C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -174.60 -74.60 -128.52 -126.54 -128.43 . . 0 "[ . 1 . 2]"
67 . 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 ARG N 121.00 -179.00 157.47 130.35 -177.35 1.65 4 0 "[ . 1 . 2]"
68 . 1 47 SER C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -89.10 -29.10 -57.53 -58.75 -60.80 . . 0 "[ . 1 . 2]"
69 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 PRO N -62.70 -22.70 -47.51 -54.72 -41.37 . . 0 "[ . 1 . 2]"
70 . 1 48 LYS C 1 49 PRO N 1 49 PRO CA 1 49 PRO C -87.10 -27.10 -53.38 -61.74 -46.44 . . 0 "[ . 1 . 2]"
71 . 1 49 PRO N 1 49 PRO CA 1 49 PRO C 1 50 GLN N -51.80 -11.80 -31.05 -39.34 -22.96 . . 0 "[ . 1 . 2]"
72 . 1 49 PRO C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -104.50 -34.50 -74.82 -77.53 -78.46 . . 0 "[ . 1 . 2]"
73 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 LEU N -55.40 -15.40 -51.50 -56.27 -44.80 0.87 17 0 "[ . 1 . 2]"
74 . 1 50 GLN C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -94.40 -34.40 -64.70 -64.81 -65.58 . . 0 "[ . 1 . 2]"
75 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 ALA N -60.20 -20.20 -42.53 -46.71 -19.47 0.73 17 0 "[ . 1 . 2]"
76 . 1 51 LEU C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -94.10 -34.10 -54.42 -55.88 -56.86 . . 0 "[ . 1 . 2]"
77 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 ARG N -60.80 -20.80 -44.29 -45.14 -45.76 . . 0 "[ . 1 . 2]"
78 . 1 52 ALA C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -93.60 -33.60 -63.62 -67.61 -59.51 . . 0 "[ . 1 . 2]"
79 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 TYR N -60.30 -20.30 -36.32 -39.51 -31.37 . . 0 "[ . 1 . 2]"
80 . 1 53 ARG C 1 54 TYR N 1 54 TYR CA 1 54 TYR C -98.70 -38.70 -64.59 -71.38 -62.22 . . 0 "[ . 1 . 2]"
81 . 1 54 TYR N 1 54 TYR CA 1 54 TYR C 1 55 LEU N -59.90 -19.90 -50.24 -53.90 -46.23 . . 0 "[ . 1 . 2]"
82 . 1 54 TYR C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -125.00 -45.00 -69.03 -64.64 -66.11 . . 0 "[ . 1 . 2]"
83 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 GLY N -60.00 20.00 -27.86 -27.46 -28.01 . . 0 "[ . 1 . 2]"
84 . 1 56 GLY C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -107.50 -27.50 -91.56 -106.15 -106.64 . . 0 "[ . 1 . 2]"
85 . 1 57 ASN C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -117.20 -37.20 -78.97 -106.53 -40.70 . . 0 "[ . 1 . 2]"
86 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 VAL N -63.00 -3.00 -23.78 -35.13 -19.69 . . 0 "[ . 1 . 2]"
87 . 1 58 ALA C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -172.90 -92.90 -143.76 -143.27 -144.30 . . 0 "[ . 1 . 2]"
88 . 1 59 VAL C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -128.20 -48.20 -101.85 -100.10 -101.51 . . 0 "[ . 1 . 2]"
89 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 LEU N 89.40 149.40 118.08 109.77 120.83 . . 0 "[ . 1 . 2]"
90 . 1 60 ASP C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -120.00 -60.00 -102.82 -114.11 -94.69 . . 0 "[ . 1 . 2]"
91 . 1 61 LEU C 1 62 SER N 1 62 SER CA 1 62 SER C -95.80 -35.80 -61.09 -84.25 -51.59 . . 0 "[ . 1 . 2]"
92 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 CYS N -43.40 -3.40 -42.07 -43.10 -43.37 0.64 11 0 "[ . 1 . 2]"
93 . 1 62 SER C 1 63 CYS N 1 63 CYS CA 1 63 CYS C -135.70 -55.70 -80.29 -62.46 -69.17 . . 0 "[ . 1 . 2]"
94 . 1 63 CYS C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -137.60 -57.60 -94.07 -100.95 -102.90 . . 0 "[ . 1 . 2]"
95 . 1 66 PHE C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -96.00 -36.00 -53.42 -76.77 -34.51 1.49 10 0 "[ . 1 . 2]"
96 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 THR N -70.70 9.30 -40.26 -25.57 -32.51 . . 0 "[ . 1 . 2]"
97 . 1 67 ARG C 1 68 THR N 1 68 THR CA 1 68 THR C -141.30 -61.30 -105.02 -102.18 -104.68 1.21 10 0 "[ . 1 . 2]"
98 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 GLY N -37.90 22.10 -15.46 -24.85 -24.87 5.18 10 1 "[ . + . 2]"
99 . 1 69 GLY C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -165.40 -65.40 -118.80 -120.46 -121.81 . . 0 "[ . 1 . 2]"
100 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 MET N 138.80 178.80 162.15 179.41 172.00 0.61 2 0 "[ . 1 . 2]"
101 . 1 70 LYS C 1 71 MET N 1 71 MET CA 1 71 MET C -132.40 -52.40 -102.79 -104.90 -111.02 . . 0 "[ . 1 . 2]"
102 . 1 71 MET N 1 71 MET CA 1 71 MET C 1 72 MET N 88.00 148.00 137.32 140.71 138.57 0.28 15 0 "[ . 1 . 2]"
103 . 2 2 DG C4' 2 2 DG C3' 2 2 DG O3' 2 3 DA P 150.00 -150.00 -167.65 -176.62 -155.60 . . 0 "[ . 1 . 2]"
104 . 2 2 DG C3' 2 2 DG O3' 2 3 DA P 2 3 DA O5' -135.00 -35.00 -95.61 -96.07 -96.27 . . 0 "[ . 1 . 2]"
105 . 2 2 DG O3' 2 3 DA P 2 3 DA O5' 2 3 DA C5' -120.00 -20.00 -65.48 -64.07 -64.48 . . 0 "[ . 1 . 2]"
106 . 2 3 DA C4' 2 3 DA C3' 2 3 DA O3' 2 4 DA P 150.00 -150.00 -176.29 -178.75 -174.81 . . 0 "[ . 1 . 2]"
107 . 2 3 DA C3' 2 3 DA O3' 2 4 DA P 2 4 DA O5' -135.00 -35.00 -96.29 -95.47 -95.65 . . 0 "[ . 1 . 2]"
108 . 2 3 DA O3' 2 4 DA P 2 4 DA O5' 2 4 DA C5' -120.00 -20.00 -63.91 -64.24 -64.48 . . 0 "[ . 1 . 2]"
109 . 2 4 DA C4' 2 4 DA C3' 2 4 DA O3' 2 5 DT P 150.00 -150.00 -177.40 -178.61 -176.26 . . 0 "[ . 1 . 2]"
110 . 2 4 DA C3' 2 4 DA O3' 2 5 DT P 2 5 DT O5' -135.00 -35.00 -95.32 -95.42 -95.49 . . 0 "[ . 1 . 2]"
111 . 2 4 DA O3' 2 5 DT P 2 5 DT O5' 2 5 DT C5' -120.00 -20.00 -59.56 -61.60 -57.42 . . 0 "[ . 1 . 2]"
112 . 2 5 DT C4' 2 5 DT C3' 2 5 DT O3' 2 6 5CM P 150.00 -150.00 179.98 -179.55 -179.97 . . 0 "[ . 1 . 2]"
113 . 2 5 DT C3' 2 5 DT O3' 2 6 5CM P 2 6 5CM O5' -135.00 -35.00 -96.94 -96.76 -96.94 . . 0 "[ . 1 . 2]"
114 . 2 5 DT O3' 2 6 5CM P 2 6 5CM O5' 2 6 5CM C5' -120.00 -20.00 -61.86 -63.08 -59.87 . . 0 "[ . 1 . 2]"
115 . 2 6 5CM C4' 2 6 5CM C3' 2 6 5CM O3' 2 7 DG P 150.00 -150.00 178.64 177.00 -179.73 . . 0 "[ . 1 . 2]"
116 . 2 6 5CM C3' 2 6 5CM O3' 2 7 DG P 2 7 DG O5' -135.00 -35.00 -97.69 -97.80 -98.08 . . 0 "[ . 1 . 2]"
117 . 2 6 5CM O3' 2 7 DG P 2 7 DG O5' 2 7 DG C5' -120.00 -20.00 -57.55 -59.50 -55.86 . . 0 "[ . 1 . 2]"
118 . 2 7 DG C4' 2 7 DG C3' 2 7 DG O3' 2 8 DG P 130.00 -130.00 179.31 177.97 -179.22 . . 0 "[ . 1 . 2]"
119 . 2 7 DG C3' 2 7 DG O3' 2 8 DG P 2 8 DG O5' -135.00 -35.00 -98.43 -99.36 -96.72 . . 0 "[ . 1 . 2]"
120 . 2 7 DG O3' 2 8 DG P 2 8 DG O5' 2 8 DG C5' -120.00 -20.00 -58.50 -59.22 -60.02 . . 0 "[ . 1 . 2]"
121 . 2 8 DG C4' 2 8 DG C3' 2 8 DG O3' 2 9 DC P 130.00 -130.00 -178.07 -179.13 -176.64 . . 0 "[ . 1 . 2]"
122 . 2 8 DG C3' 2 8 DG O3' 2 9 DC P 2 9 DC O5' -135.00 -35.00 -96.97 -97.77 -96.09 . . 0 "[ . 1 . 2]"
123 . 2 8 DG O3' 2 9 DC P 2 9 DC O5' 2 9 DC C5' -120.00 -20.00 -60.68 -60.88 -61.07 . . 0 "[ . 1 . 2]"
124 . 2 9 DC C4' 2 9 DC C3' 2 9 DC O3' 2 10 . P 130.00 -130.00 -176.91 -178.59 -167.22 . . 0 "[ . 1 . 2]"
125 . 2 9 DC C3' 2 9 DC O3' 2 10 . P 2 10 . O5' -135.00 -35.00 -95.55 -96.65 -94.51 . . 0 "[ . 1 . 2]"
126 . 2 9 DC O3' 2 10 . P 2 10 . O5' 2 10 . C5' -120.00 -20.00 -61.58 -65.92 -58.90 . . 0 "[ . 1 . 2]"
127 . 2 10 . C4' 2 10 . C3' 2 10 . O3' 2 11 DC P 130.00 -130.00 -175.43 -175.70 -176.12 . . 0 "[ . 1 . 2]"
128 . 2 10 . C3' 2 10 . O3' 2 11 DC P 2 11 DC O5' -135.00 -35.00 -94.74 -95.43 -95.67 . . 0 "[ . 1 . 2]"
129 . 2 10 . O3' 2 11 DC P 2 11 DC O5' 2 11 DC C5' -120.00 -20.00 -62.83 -65.49 -61.87 . . 0 "[ . 1 . 2]"
130 . 3 1 DG C4' 3 1 DG C3' 3 1 DG O3' 3 2 DA P 130.00 -130.00 -170.74 -176.03 -155.84 . . 0 "[ . 1 . 2]"
131 . 3 1 DG C3' 3 1 DG O3' 3 2 DA P 3 2 DA O5' -135.00 -35.00 -92.27 -92.49 -93.16 . . 0 "[ . 1 . 2]"
132 . 3 1 DG O3' 3 2 DA P 3 2 DA O5' 3 2 DA C5' -120.00 -20.00 -62.22 -67.03 -59.74 . . 0 "[ . 1 . 2]"
133 . 3 2 DA C4' 3 2 DA C3' 3 2 DA O3' 3 3 DG P 150.00 -150.00 -176.32 -176.59 -176.76 . . 0 "[ . 1 . 2]"
134 . 3 2 DA C3' 3 2 DA O3' 3 3 DG P 3 3 DG O5' -135.00 -35.00 -95.16 -94.51 -94.65 . . 0 "[ . 1 . 2]"
135 . 3 2 DA O3' 3 3 DG P 3 3 DG O5' 3 3 DG C5' -120.00 -20.00 -62.85 -62.69 -62.74 . . 0 "[ . 1 . 2]"
136 . 3 3 DG C4' 3 3 DG C3' 3 3 DG O3' 3 4 DC P 150.00 -150.00 -178.02 -179.10 -176.65 . . 0 "[ . 1 . 2]"
137 . 3 3 DG C3' 3 3 DG O3' 3 4 DC P 3 4 DC O5' -135.00 -35.00 -95.80 -95.43 -95.56 . . 0 "[ . 1 . 2]"
138 . 3 3 DG O3' 3 4 DC P 3 4 DC O5' 3 4 DC C5' -120.00 -20.00 -61.25 -62.39 -59.38 . . 0 "[ . 1 . 2]"
139 . 3 5 5CM C4' 3 5 5CM C3' 3 5 5CM O3' 3 6 DG P 150.00 -150.00 178.82 178.41 178.11 . . 0 "[ . 1 . 2]"
140 . 3 5 5CM C3' 3 5 5CM O3' 3 6 DG P 3 6 DG O5' -135.00 -35.00 -98.41 -99.50 -96.52 . . 0 "[ . 1 . 2]"
141 . 3 5 5CM O3' 3 6 DG P 3 6 DG O5' 3 6 DG C5' -120.00 -20.00 -57.10 -59.72 -55.86 . . 0 "[ . 1 . 2]"
142 . 3 6 DG C4' 3 6 DG C3' 3 6 DG O3' 3 7 DA P 150.00 -150.00 -179.23 -179.26 -179.66 . . 0 "[ . 1 . 2]"
143 . 3 6 DG C3' 3 6 DG O3' 3 7 DA P 3 7 DA O5' -135.00 -35.00 -98.01 -99.15 -96.41 . . 0 "[ . 1 . 2]"
144 . 3 6 DG O3' 3 7 DA P 3 7 DA O5' 3 7 DA C5' -120.00 -20.00 -60.01 -62.38 -57.94 . . 0 "[ . 1 . 2]"
145 . 3 7 DA C4' 3 7 DA C3' 3 7 DA O3' 3 8 DT P 130.00 -130.00 -176.44 -177.32 -175.57 . . 0 "[ . 1 . 2]"
146 . 3 7 DA C3' 3 7 DA O3' 3 8 DT P 3 8 DT O5' -135.00 -35.00 -93.83 -94.63 -91.91 . . 0 "[ . 1 . 2]"
147 . 3 7 DA O3' 3 8 DT P 3 8 DT O5' 3 8 DT C5' -120.00 -20.00 -60.15 -59.86 -60.27 . . 0 "[ . 1 . 2]"
148 . 3 8 DT C4' 3 8 DT C3' 3 8 DT O3' 3 9 . P 130.00 -130.00 -176.83 -178.61 -172.89 . . 0 "[ . 1 . 2]"
149 . 3 8 DT C3' 3 8 DT O3' 3 9 . P 3 9 . O5' -135.00 -35.00 -95.90 -97.49 -94.41 . . 0 "[ . 1 . 2]"
150 . 3 8 DT O3' 3 9 . P 3 9 . O5' 3 9 . C5' -120.00 -20.00 -63.21 -63.88 -64.45 . . 0 "[ . 1 . 2]"
151 . 3 9 . C4' 3 9 . C3' 3 9 . O3' 3 10 DC P 130.00 -130.00 -172.61 -178.38 -157.05 . . 0 "[ . 1 . 2]"
152 . 3 9 . C3' 3 9 . O3' 3 10 DC P 3 10 DC O5' -135.00 -35.00 -95.91 -96.55 -94.72 . . 0 "[ . 1 . 2]"
153 . 3 9 . O3' 3 10 DC P 3 10 DC O5' 3 10 DC C5' -120.00 -20.00 -63.97 -62.14 -62.38 . . 0 "[ . 1 . 2]"
154 . 2 2 DG O5' 2 2 DG C5' 2 2 DG C4' 2 2 DG C3' 25.00 95.00 52.15 52.36 52.18 . . 0 "[ . 1 . 2]"
155 . 2 3 DA O5' 2 3 DA C5' 2 3 DA C4' 2 3 DA C3' 25.00 95.00 51.19 53.05 52.29 . . 0 "[ . 1 . 2]"
156 . 2 4 DA O5' 2 4 DA C5' 2 4 DA C4' 2 4 DA C3' 25.00 95.00 51.73 51.44 51.23 . . 0 "[ . 1 . 2]"
157 . 2 5 DT O5' 2 5 DT C5' 2 5 DT C4' 2 5 DT C3' 25.00 95.00 53.11 53.62 53.50 . . 0 "[ . 1 . 2]"
158 . 2 6 5CM O5' 2 6 5CM C5' 2 6 5CM C4' 2 6 5CM C3' 25.00 95.00 52.81 52.12 53.68 . . 0 "[ . 1 . 2]"
159 . 2 7 DG O5' 2 7 DG C5' 2 7 DG C4' 2 7 DG C3' 25.00 95.00 52.98 53.42 53.16 . . 0 "[ . 1 . 2]"
160 . 2 8 DG O5' 2 8 DG C5' 2 8 DG C4' 2 8 DG C3' 25.00 95.00 52.80 52.59 52.59 . . 0 "[ . 1 . 2]"
161 . 2 9 DC O5' 2 9 DC C5' 2 9 DC C4' 2 9 DC C3' 25.00 95.00 52.41 52.54 52.41 . . 0 "[ . 1 . 2]"
162 . 2 10 . O5' 2 10 . C5' 2 10 . C4' 2 10 . C3' 25.00 95.00 52.13 51.83 51.78 . . 0 "[ . 1 . 2]"
163 . 2 11 DC O5' 2 11 DC C5' 2 11 DC C4' 2 11 DC C3' 25.00 95.00 51.69 50.58 52.32 . . 0 "[ . 1 . 2]"
164 . 3 1 DG O5' 3 1 DG C5' 3 1 DG C4' 3 1 DG C3' 25.00 95.00 50.07 49.20 50.86 . . 0 "[ . 1 . 2]"
165 . 3 2 DA O5' 3 2 DA C5' 3 2 DA C4' 3 2 DA C3' 25.00 95.00 52.23 51.14 53.11 . . 0 "[ . 1 . 2]"
166 . 3 3 DG O5' 3 3 DG C5' 3 3 DG C4' 3 3 DG C3' 25.00 95.00 51.72 51.03 52.30 . . 0 "[ . 1 . 2]"
167 . 3 4 DC O5' 3 4 DC C5' 3 4 DC C4' 3 4 DC C3' 25.00 95.00 53.03 52.98 52.95 . . 0 "[ . 1 . 2]"
168 . 3 5 5CM O5' 3 5 5CM C5' 3 5 5CM C4' 3 5 5CM C3' 25.00 95.00 52.81 52.29 53.22 . . 0 "[ . 1 . 2]"
169 . 3 6 DG O5' 3 6 DG C5' 3 6 DG C4' 3 6 DG C3' 25.00 95.00 52.89 53.01 52.90 . . 0 "[ . 1 . 2]"
170 . 3 7 DA O5' 3 7 DA C5' 3 7 DA C4' 3 7 DA C3' 25.00 95.00 52.01 53.17 52.44 . . 0 "[ . 1 . 2]"
171 . 3 8 DT O5' 3 8 DT C5' 3 8 DT C4' 3 8 DT C3' 25.00 95.00 51.94 52.34 52.18 . . 0 "[ . 1 . 2]"
172 . 3 9 . O5' 3 9 . C5' 3 9 . C4' 3 9 . C3' 25.00 95.00 52.19 52.10 51.66 . . 0 "[ . 1 . 2]"
173 . 3 10 DC O5' 3 10 DC C5' 3 10 DC C4' 3 10 DC C3' 25.00 95.00 51.16 51.76 51.49 . . 0 "[ . 1 . 2]"
174 . 2 3 DA P 2 3 DA O5' 2 3 DA C5' 2 3 DA C4' 130.00 -130.00 179.88 176.94 -177.66 . . 0 "[ . 1 . 2]"
175 . 2 4 DA P 2 4 DA O5' 2 4 DA C5' 2 4 DA C4' 130.00 -130.00 -179.50 179.01 -177.96 . . 0 "[ . 1 . 2]"
176 . 2 5 DT P 2 5 DT O5' 2 5 DT C5' 2 5 DT C4' 130.00 -130.00 176.86 176.88 176.26 . . 0 "[ . 1 . 2]"
177 . 2 6 5CM P 2 6 5CM O5' 2 6 5CM C5' 2 6 5CM C4' 130.00 -130.00 178.24 178.44 178.20 . . 0 "[ . 1 . 2]"
178 . 2 7 DG P 2 7 DG O5' 2 7 DG C5' 2 7 DG C4' 130.00 -130.00 177.85 175.19 179.19 . . 0 "[ . 1 . 2]"
179 . 2 8 DG P 2 8 DG O5' 2 8 DG C5' 2 8 DG C4' 130.00 -130.00 179.97 179.15 -178.52 . . 0 "[ . 1 . 2]"
180 . 2 9 DC P 2 9 DC O5' 2 9 DC C5' 2 9 DC C4' 130.00 -130.00 -177.70 -179.13 -174.90 . . 0 "[ . 1 . 2]"
181 . 2 10 . P 2 10 . O5' 2 10 . C5' 2 10 . C4' 130.00 -130.00 179.95 -179.35 -179.64 . . 0 "[ . 1 . 2]"
182 . 2 11 DC P 2 11 DC O5' 2 11 DC C5' 2 11 DC C4' 130.00 -130.00 -178.08 179.79 -175.64 . . 0 "[ . 1 . 2]"
183 . 3 2 DA P 3 2 DA O5' 3 2 DA C5' 3 2 DA C4' 130.00 -130.00 179.03 177.47 -179.64 . . 0 "[ . 1 . 2]"
184 . 3 3 DG P 3 3 DG O5' 3 3 DG C5' 3 3 DG C4' 130.00 -130.00 179.59 178.40 -179.32 . . 0 "[ . 1 . 2]"
185 . 3 4 DC P 3 4 DC O5' 3 4 DC C5' 3 4 DC C4' 130.00 -130.00 178.51 175.36 179.63 . . 0 "[ . 1 . 2]"
186 . 3 6 DG P 3 6 DG O5' 3 6 DG C5' 3 6 DG C4' 130.00 -130.00 179.61 178.89 178.10 . . 0 "[ . 1 . 2]"
187 . 3 7 DA P 3 7 DA O5' 3 7 DA C5' 3 7 DA C4' 130.00 -130.00 -179.14 178.79 -177.63 . . 0 "[ . 1 . 2]"
188 . 3 8 DT P 3 8 DT O5' 3 8 DT C5' 3 8 DT C4' 130.00 -130.00 179.10 177.97 -179.66 . . 0 "[ . 1 . 2]"
189 . 3 9 . P 3 9 . O5' 3 9 . C5' 3 9 . C4' 130.00 -130.00 178.97 175.06 -178.48 . . 0 "[ . 1 . 2]"
190 . 3 10 DC P 3 10 DC O5' 3 10 DC C5' 3 10 DC C4' 130.00 -130.00 -177.99 -177.62 -177.88 . . 0 "[ . 1 . 2]"
191 . 2 2 DG C5' 2 2 DG C4' 2 2 DG C3' 2 2 DG O3' 130.00 160.00 128.68 128.78 128.72 1.91 20 0 "[ . 1 . 2]"
192 . 2 3 DA C5' 2 3 DA C4' 2 3 DA C3' 2 3 DA O3' 130.00 160.00 128.87 128.30 129.56 1.70 18 0 "[ . 1 . 2]"
193 . 2 4 DA C5' 2 4 DA C4' 2 4 DA C3' 2 4 DA O3' 130.00 160.00 128.93 128.33 129.41 1.67 20 0 "[ . 1 . 2]"
194 . 2 5 DT C5' 2 5 DT C4' 2 5 DT C3' 2 5 DT O3' 130.00 160.00 127.45 127.18 127.11 2.98 10 0 "[ . 1 . 2]"
195 . 2 6 5CM C5' 2 6 5CM C4' 2 6 5CM C3' 2 6 5CM O3' 130.00 160.00 127.30 127.06 127.49 2.94 6 0 "[ . 1 . 2]"
196 . 2 7 DG C5' 2 7 DG C4' 2 7 DG C3' 2 7 DG O3' 130.00 160.00 127.83 127.40 128.30 2.60 4 0 "[ . 1 . 2]"
197 . 2 8 DG C5' 2 8 DG C4' 2 8 DG C3' 2 8 DG O3' 130.00 160.00 128.41 128.02 128.78 1.98 7 0 "[ . 1 . 2]"
198 . 2 9 DC C5' 2 9 DC C4' 2 9 DC C3' 2 9 DC O3' 130.00 160.00 128.47 128.33 128.29 1.91 12 0 "[ . 1 . 2]"
199 . 2 10 . C5' 2 10 . C4' 2 10 . C3' 2 10 . O3' 130.00 160.00 127.55 127.97 127.72 3.25 8 0 "[ . 1 . 2]"
200 . 2 11 DC C5' 2 11 DC C4' 2 11 DC C3' 2 11 DC O3' 130.00 160.00 128.20 127.69 128.53 2.31 8 0 "[ . 1 . 2]"
201 . 3 1 DG C5' 3 1 DG C4' 3 1 DG C3' 3 1 DG O3' 130.00 160.00 134.66 132.00 135.61 . . 0 "[ . 1 . 2]"
202 . 3 2 DA C5' 3 2 DA C4' 3 2 DA C3' 3 2 DA O3' 130.00 160.00 129.47 128.85 130.20 1.15 11 0 "[ . 1 . 2]"
203 . 3 3 DG C5' 3 3 DG C4' 3 3 DG C3' 3 3 DG O3' 130.00 160.00 128.74 128.81 128.75 1.62 1 0 "[ . 1 . 2]"
204 . 3 4 DC C5' 3 4 DC C4' 3 4 DC C3' 3 4 DC O3' 130.00 160.00 127.92 127.99 127.95 2.41 12 0 "[ . 1 . 2]"
205 . 3 5 5CM C5' 3 5 5CM C4' 3 5 5CM C3' 3 5 5CM O3' 130.00 160.00 127.21 126.15 127.72 3.85 20 0 "[ . 1 . 2]"
206 . 3 6 DG C5' 3 6 DG C4' 3 6 DG C3' 3 6 DG O3' 130.00 160.00 128.00 127.49 128.49 2.51 15 0 "[ . 1 . 2]"
207 . 3 7 DA C5' 3 7 DA C4' 3 7 DA C3' 3 7 DA O3' 130.00 160.00 129.21 128.77 129.70 1.23 18 0 "[ . 1 . 2]"
208 . 3 8 DT C5' 3 8 DT C4' 3 8 DT C3' 3 8 DT O3' 130.00 160.00 127.63 128.05 127.83 2.82 19 0 "[ . 1 . 2]"
209 . 3 9 . C5' 3 9 . C4' 3 9 . C3' 3 9 . O3' 130.00 160.00 127.58 127.57 127.52 3.00 14 0 "[ . 1 . 2]"
210 . 3 10 DC C5' 3 10 DC C4' 3 10 DC C3' 3 10 DC O3' 130.00 160.00 128.75 128.21 129.28 1.79 6 0 "[ . 1 . 2]"
211 . 2 2 DG O4' 2 2 DG C1' 2 2 DG N9 2 2 DG C4 -125.00 -85.00 -107.82 -109.71 -105.91 . . 0 "[ . 1 . 2]"
212 . 2 3 DA O4' 2 3 DA C1' 2 3 DA N9 2 3 DA C4 -125.00 -85.00 -104.04 -105.87 -101.07 . . 0 "[ . 1 . 2]"
213 . 2 4 DA O4' 2 4 DA C1' 2 4 DA N9 2 4 DA C4 -125.00 -85.00 -104.36 -105.59 -102.81 . . 0 "[ . 1 . 2]"
214 . 2 7 DG O4' 2 7 DG C1' 2 7 DG N9 2 7 DG C4 -125.00 -85.00 -109.63 -109.89 -110.11 . . 0 "[ . 1 . 2]"
215 . 2 8 DG O4' 2 8 DG C1' 2 8 DG N9 2 8 DG C4 -125.00 -85.00 -109.14 -110.70 -107.39 . . 0 "[ . 1 . 2]"
216 . 3 1 DG O4' 3 1 DG C1' 3 1 DG N9 3 1 DG C4 -125.00 -85.00 -112.47 -119.20 -109.23 . . 0 "[ . 1 . 2]"
217 . 3 2 DA O4' 3 2 DA C1' 3 2 DA N9 3 2 DA C4 -125.00 -85.00 -106.33 -105.46 -105.55 . . 0 "[ . 1 . 2]"
218 . 3 3 DG O4' 3 3 DG C1' 3 3 DG N9 3 3 DG C4 -125.00 -85.00 -106.13 -105.72 -105.77 . . 0 "[ . 1 . 2]"
219 . 3 6 DG O4' 3 6 DG C1' 3 6 DG N9 3 6 DG C4 -125.00 -85.00 -109.77 -110.17 -110.17 . . 0 "[ . 1 . 2]"
220 . 3 7 DA O4' 3 7 DA C1' 3 7 DA N9 3 7 DA C4 -125.00 -85.00 -104.83 -105.26 -105.47 . . 0 "[ . 1 . 2]"
221 . 2 5 DT O4' 2 5 DT C1' 2 5 DT N1 2 5 DT C2 -125.00 -85.00 -108.08 -110.22 -106.47 . . 0 "[ . 1 . 2]"
222 . 2 6 5CM O4' 2 6 5CM C1' 2 6 5CM N1 2 6 5CM C2 -125.00 -85.00 -109.57 -109.83 -110.05 . . 0 "[ . 1 . 2]"
223 . 2 9 DC O4' 2 9 DC C1' 2 9 DC N1 2 9 DC C2 -125.00 -85.00 -109.85 -110.64 -108.41 . . 0 "[ . 1 . 2]"
224 . 2 10 . O4' 2 10 . C1' 2 10 . N1 2 10 . C2 -125.00 -85.00 -105.31 -109.23 -97.31 . . 0 "[ . 1 . 2]"
225 . 2 11 DC O4' 2 11 DC C1' 2 11 DC N1 2 11 DC C2 -125.00 -85.00 -109.36 -109.53 -109.65 . . 0 "[ . 1 . 2]"
226 . 3 4 DC O4' 3 4 DC C1' 3 4 DC N1 3 4 DC C2 -125.00 -85.00 -108.79 -109.42 -109.54 . . 0 "[ . 1 . 2]"
227 . 3 5 5CM O4' 3 5 5CM C1' 3 5 5CM N1 3 5 5CM C2 -125.00 -85.00 -110.76 -112.44 -109.74 . . 0 "[ . 1 . 2]"
228 . 3 8 DT O4' 3 8 DT C1' 3 8 DT N1 3 8 DT C2 -125.00 -85.00 -109.58 -109.43 -109.72 . . 0 "[ . 1 . 2]"
229 . 3 9 . O4' 3 9 . C1' 3 9 . N1 3 9 . C2 -125.00 -85.00 -102.92 -105.35 -106.39 . . 0 "[ . 1 . 2]"
230 . 3 10 DC O4' 3 10 DC C1' 3 10 DC N1 3 10 DC C2 -125.00 -85.00 -110.06 -112.25 -108.77 . . 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 19
_TA_constraint_stats_list.Viol_count 18
_TA_constraint_stats_list.Viol_total 309.48
_TA_constraint_stats_list.Viol_max 2.38
_TA_constraint_stats_list.Viol_rms 0.22
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 0.86
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 8 THR N 1 8 THR CA 1 8 THR CB 1 8 THR OG1 40.00 80.00 64.51 54.12 79.12 . . 0 "[ . 1 . 2]"
2 . 1 20 GLU N 1 20 GLU CA 1 20 GLU CB 1 20 GLU CG 160.00 -160.00 -177.25 166.45 -160.14 . . 0 "[ . 1 . 2]"
3 . 1 21 GLU N 1 21 GLU CA 1 21 GLU CB 1 21 GLU CG 160.00 -160.00 -176.06 179.04 -171.88 . . 0 "[ . 1 . 2]"
4 . 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 160.00 -160.00 171.60 165.83 -172.01 . . 0 "[ . 1 . 2]"
5 . 1 23 ILE N 1 23 ILE CA 1 23 ILE CB 1 23 ILE CG1 -80.00 -40.00 -59.97 -63.10 -58.31 . . 0 "[ . 1 . 2]"
6 . 1 28 LEU N 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 160.00 -160.00 -174.16 176.26 -157.62 2.38 7 0 "[ . 1 . 2]"
7 . 1 35 VAL N 1 35 VAL CA 1 35 VAL CB 1 35 VAL CG1 160.00 -160.00 179.51 166.47 -160.00 0.00 15 0 "[ . 1 . 2]"
8 . 1 36 TYR N 1 36 TYR CA 1 36 TYR CB 1 36 TYR CG -90.00 90.00 -59.81 -70.42 -41.66 . . 0 "[ . 1 . 2]"
9 . 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG -80.00 -40.00 -65.54 -76.97 -42.29 . . 0 "[ . 1 . 2]"
10 . 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG -80.00 -40.00 -65.97 -69.84 -70.56 . . 0 "[ . 1 . 2]"
11 . 1 43 LYS N 1 43 LYS CA 1 43 LYS CB 1 43 LYS CG 160.00 -160.00 -176.35 -178.47 -179.43 1.05 10 0 "[ . 1 . 2]"
12 . 1 44 LYS N 1 44 LYS CA 1 44 LYS CB 1 44 LYS CG 160.00 -160.00 -178.73 -174.27 -176.94 . . 0 "[ . 1 . 2]"
13 . 1 45 PHE N 1 45 PHE CA 1 45 PHE CB 1 45 PHE CG -90.00 90.00 -60.29 -60.48 -62.55 . . 0 "[ . 1 . 2]"
14 . 1 48 LYS N 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG 160.00 -160.00 -179.66 -173.85 162.32 1.28 15 0 "[ . 1 . 2]"
15 . 1 50 GLN N 1 50 GLN CA 1 50 GLN CB 1 50 GLN CG 160.00 -160.00 -167.14 -164.34 -168.11 0.95 10 0 "[ . 1 . 2]"
16 . 1 54 TYR N 1 54 TYR CA 1 54 TYR CB 1 54 TYR CG 160.00 -160.00 -176.74 174.17 -160.90 . . 0 "[ . 1 . 2]"
17 . 1 59 VAL N 1 59 VAL CA 1 59 VAL CB 1 59 VAL CG1 160.00 -160.00 -179.52 -175.41 -175.58 . . 0 "[ . 1 . 2]"
18 . 1 64 PHE N 1 64 PHE CA 1 64 PHE CB 1 64 PHE CG 160.00 -160.00 179.67 162.82 -164.79 . . 0 "[ . 1 . 2]"
19 . 1 68 THR N 1 68 THR CA 1 68 THR CB 1 68 THR OG1 40.00 80.00 53.44 41.14 72.73 . . 0 "[ . 1 . 2]"
stop_
save_
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