NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
592874 |
2n2m   |
25281 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n2m
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 240
_TA_constraint_stats_list.Viol_count 424
_TA_constraint_stats_list.Viol_total 4934.54
_TA_constraint_stats_list.Viol_max 5.03
_TA_constraint_stats_list.Viol_rms 0.60
_TA_constraint_stats_list.Viol_average_all_restraints 0.21
_TA_constraint_stats_list.Viol_average_violations_only 1.16
_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 2 GLY C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -86.50 -46.50 -71.57 -75.91 -69.99 . . 0 "[ . 1]"
2 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 SER N 121.40 161.40 142.53 136.69 161.53 0.13 6 0 "[ . 1]"
3 . 1 3 GLU C 1 4 SER N 1 4 SER CA 1 4 SER C -149.80 -81.60 -146.48 -151.11 -129.80 1.31 10 0 "[ . 1]"
4 . 1 4 SER N 1 4 SER CA 1 4 SER C 1 5 SER N 126.50 166.50 156.78 162.27 154.64 . . 0 "[ . 1]"
5 . 1 4 SER C 1 5 SER N 1 5 SER CA 1 5 SER C -158.30 -69.50 -131.44 -147.01 -119.54 . . 0 "[ . 1]"
6 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 ILE N 106.70 159.10 144.36 146.78 141.98 0.57 8 0 "[ . 1]"
7 . 1 5 SER C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -127.10 -68.50 -119.71 -127.76 -112.33 0.66 4 0 "[ . 1]"
8 . 1 6 ILE N 1 6 ILE CA 1 6 ILE C 1 7 SER N 105.50 145.50 132.16 138.20 131.96 1.65 9 0 "[ . 1]"
9 . 1 6 ILE C 1 7 SER N 1 7 SER CA 1 7 SER C -159.50 -99.50 -134.25 -131.82 -134.50 . . 0 "[ . 1]"
10 . 1 7 SER N 1 7 SER CA 1 7 SER C 1 8 ILE N 130.70 179.50 146.40 148.45 145.50 . . 0 "[ . 1]"
11 . 1 7 SER C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -156.70 -110.30 -130.38 -132.82 -134.39 . . 0 "[ . 1]"
12 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 GLY N 130.00 170.00 146.29 151.81 148.76 0.56 9 0 "[ . 1]"
13 . 1 8 ILE C 1 9 GLY N 1 9 GLY CA 1 9 GLY C -169.70 -74.90 -160.60 -171.17 -137.69 1.47 10 0 "[ . 1]"
14 . 1 9 GLY N 1 9 GLY CA 1 9 GLY C 1 10 TYR N 126.40 -174.60 175.63 -179.34 172.10 0.78 7 0 "[ . 1]"
15 . 1 9 GLY C 1 10 TYR N 1 10 TYR CA 1 10 TYR C -158.60 -83.80 -98.83 -116.39 -83.24 0.56 3 0 "[ . 1]"
16 . 1 10 TYR N 1 10 TYR CA 1 10 TYR C 1 11 ALA N 120.00 160.00 145.20 148.75 146.53 . . 0 "[ . 1]"
17 . 1 10 TYR C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -153.10 -93.70 -120.65 -123.42 -125.30 . . 0 "[ . 1]"
18 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 GLN N 113.10 171.50 130.99 131.36 128.19 . . 0 "[ . 1]"
19 . 1 11 ALA C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -147.60 -96.40 -128.79 -126.79 -129.24 . . 0 "[ . 1]"
20 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 SER N 111.30 151.30 130.64 118.46 145.13 . . 0 "[ . 1]"
21 . 1 12 GLN C 1 13 SER N 1 13 SER CA 1 13 SER C -117.10 -56.10 -115.98 -118.54 -99.84 1.44 5 0 "[ . 1]"
22 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 ARG N 107.70 166.50 139.06 166.86 120.35 1.97 2 0 "[ . 1]"
23 . 1 13 SER C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -146.30 -69.50 -100.82 -143.74 -66.82 2.68 8 0 "[ . 1]"
24 . 1 14 ARG N 1 14 ARG CA 1 14 ARG C 1 15 VAL N 119.50 171.10 130.55 143.71 137.57 . . 0 "[ . 1]"
25 . 1 14 ARG C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -148.00 -89.20 -125.41 -131.46 -132.76 . . 0 "[ . 1]"
26 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 LYS N 108.40 148.40 135.43 125.52 150.01 1.61 1 0 "[ . 1]"
27 . 1 15 VAL C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -124.70 -58.50 -96.62 -125.21 -61.46 0.51 2 0 "[ . 1]"
28 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 GLU N 110.40 156.40 126.71 132.64 129.47 . . 0 "[ . 1]"
29 . 1 16 LYS C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -163.10 -95.90 -153.03 -163.54 -133.94 0.44 3 0 "[ . 1]"
30 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ASP N 121.10 -174.70 166.08 170.63 167.66 . . 0 "[ . 1]"
31 . 1 21 LYS C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -86.90 -46.90 -66.14 -62.75 -87.38 0.97 6 0 "[ . 1]"
32 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 ASP N -55.50 -10.90 -49.58 -50.62 -52.38 0.05 6 0 "[ . 1]"
33 . 1 22 LEU C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -111.40 -71.40 -108.28 -116.04 -92.83 4.64 4 0 "[ . 1]"
34 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 LYS N -11.90 28.10 -11.85 -15.45 7.01 3.55 7 0 "[ . 1]"
35 . 1 23 ASP C 1 24 LYS N 1 24 LYS CA 1 24 LYS C 50.30 90.30 53.24 52.39 50.37 1.60 7 0 "[ . 1]"
36 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 ASN N -5.00 35.60 9.63 -6.73 36.94 1.73 9 0 "[ . 1]"
37 . 1 24 LYS C 1 25 ASN N 1 25 ASN CA 1 25 ASN C -101.30 -58.70 -104.42 -106.28 -102.19 4.98 9 0 "[ . 1]"
38 . 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 PRO N 115.30 156.70 115.51 110.27 136.23 5.03 10 1 "[ . +]"
39 . 1 25 ASN C 1 26 PRO N 1 26 PRO CA 1 26 PRO C -86.80 -46.80 -81.14 -84.73 -76.63 . . 0 "[ . 1]"
40 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 ARG N 118.10 158.10 159.32 156.12 161.01 2.91 7 0 "[ . 1]"
41 . 1 26 PRO C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -167.70 -93.10 -95.69 -95.33 -95.81 1.53 9 0 "[ . 1]"
42 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 GLY N 121.50 179.10 138.40 137.60 135.43 . . 0 "[ . 1]"
43 . 1 28 GLY C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -148.70 -108.70 -125.39 -143.24 -109.47 . . 0 "[ . 1]"
44 . 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 ASN N 126.00 172.80 147.50 160.07 149.59 . . 0 "[ . 1]"
45 . 1 29 PHE C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -147.60 -107.60 -126.82 -135.72 -115.09 . . 0 "[ . 1]"
46 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 LEU N 121.00 163.80 122.02 131.68 124.61 1.98 8 0 "[ . 1]"
47 . 1 30 ASN C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -136.40 -91.80 -112.94 -126.10 -97.52 . . 0 "[ . 1]"
48 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 LYS N 112.40 152.40 136.60 136.76 129.18 . . 0 "[ . 1]"
49 . 1 31 LEU C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -147.30 -97.30 -129.51 -148.24 -108.96 0.94 10 0 "[ . 1]"
50 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 TYR N 113.50 163.30 142.01 140.36 139.91 . . 0 "[ . 1]"
51 . 1 32 LYS C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -146.60 -92.40 -130.87 -127.57 -129.13 . . 0 "[ . 1]"
52 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 ARG N 112.20 152.20 140.65 137.74 128.55 . . 0 "[ . 1]"
53 . 1 33 TYR C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -131.90 -91.90 -121.02 -131.96 -107.57 0.06 3 0 "[ . 1]"
54 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 TYR N 111.00 151.00 131.09 132.07 131.64 . . 0 "[ . 1]"
55 . 1 34 ARG C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -139.60 -90.00 -126.55 -137.77 -116.02 . . 0 "[ . 1]"
56 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 GLU N 119.30 159.50 140.24 148.63 143.65 . . 0 "[ . 1]"
57 . 1 40 ASP C 1 41 TRP N 1 41 TRP CA 1 41 TRP C -152.90 -100.90 -137.03 -153.44 -153.78 0.90 8 0 "[ . 1]"
58 . 1 41 TRP N 1 41 TRP CA 1 41 TRP C 1 42 GLY N 122.00 174.00 146.65 123.39 163.86 . . 0 "[ . 1]"
59 . 1 41 TRP C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -179.50 -49.30 -144.42 -166.57 -170.94 . . 0 "[ . 1]"
60 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 VAL N 124.10 -167.50 179.56 -175.95 178.21 0.79 8 0 "[ . 1]"
61 . 1 42 GLY C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -152.40 -100.20 -129.18 -129.82 -130.61 . . 0 "[ . 1]"
62 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 ILE N 121.70 161.70 145.92 127.34 158.49 . . 0 "[ . 1]"
63 . 1 43 VAL C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -146.20 -100.60 -136.76 -146.25 -126.59 0.05 2 0 "[ . 1]"
64 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 GLY N 117.00 157.00 142.88 142.40 140.16 0.28 7 0 "[ . 1]"
65 . 1 45 GLY C 1 46 SER N 1 46 SER CA 1 46 SER C -136.40 -80.80 -130.84 -137.40 -126.21 1.00 4 0 "[ . 1]"
66 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 PHE N 108.40 148.40 140.46 137.21 131.01 . . 0 "[ . 1]"
67 . 1 46 SER C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -135.80 -95.80 -126.31 -132.08 -114.94 . . 0 "[ . 1]"
68 . 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 ALA N 108.80 148.80 139.84 139.43 136.23 . . 0 "[ . 1]"
69 . 1 47 PHE C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -144.00 -92.60 -141.88 -144.76 -145.01 1.09 1 0 "[ . 1]"
70 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 GLN N 115.30 155.30 143.33 148.74 148.16 . . 0 "[ . 1]"
71 . 1 48 ALA C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -150.70 -71.30 -144.77 -148.89 -150.99 0.41 1 0 "[ . 1]"
72 . 1 49 GLN N 1 49 GLN CA 1 49 GLN C 1 50 THR N 103.80 159.20 135.00 124.93 150.34 . . 0 "[ . 1]"
73 . 1 49 GLN C 1 50 THR N 1 50 THR CA 1 50 THR C -154.80 -92.80 -133.70 -132.30 -150.27 . . 0 "[ . 1]"
74 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 ARG N 135.50 178.70 156.40 134.90 162.46 0.60 10 0 "[ . 1]"
75 . 1 50 THR C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -165.60 -50.20 -152.36 -159.40 -145.12 . . 0 "[ . 1]"
76 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 ARG N 113.80 180.00 147.73 148.59 143.99 . . 0 "[ . 1]"
77 . 1 51 ARG C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -82.20 -42.20 -73.37 -83.95 -53.48 1.75 2 0 "[ . 1]"
78 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 GLY N 117.40 160.60 135.23 119.32 149.84 . . 0 "[ . 1]"
79 . 1 53 GLY C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -110.80 -58.40 -101.90 -112.57 -60.73 1.77 6 0 "[ . 1]"
80 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 GLU N 59.30 162.10 125.61 73.71 150.79 . . 0 "[ . 1]"
81 . 1 54 PHE C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -164.70 -59.90 -135.53 -162.72 -59.44 0.46 1 0 "[ . 1]"
82 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 GLU N 118.40 172.80 151.18 157.93 148.20 . . 0 "[ . 1]"
83 . 1 55 GLU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -90.70 -50.70 -70.25 -91.19 -58.15 0.49 10 0 "[ . 1]"
84 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 SER N 114.00 154.00 136.23 145.74 139.02 0.47 5 0 "[ . 1]"
85 . 1 56 GLU C 1 57 SER N 1 57 SER CA 1 57 SER C -149.80 -80.40 -129.27 -118.65 -149.73 2.64 5 0 "[ . 1]"
86 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 VAL N 116.10 175.90 147.16 125.37 171.78 . . 0 "[ . 1]"
87 . 1 57 SER C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -129.70 -89.70 -122.24 -130.64 -97.81 0.94 2 0 "[ . 1]"
88 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ASP N 103.10 160.50 134.20 153.38 137.29 1.06 5 0 "[ . 1]"
89 . 1 59 ASP C 1 60 GLY N 1 60 GLY CA 1 60 GLY C 65.90 105.90 84.39 72.98 93.02 . . 0 "[ . 1]"
90 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 PHE N -26.90 17.90 -0.36 -1.45 -5.90 0.90 10 0 "[ . 1]"
91 . 1 66 GLY C 1 67 ASP N 1 67 ASP CA 1 67 ASP C 40.70 80.70 51.03 50.55 49.04 . . 0 "[ . 1]"
92 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 PHE N 14.20 54.20 47.28 13.55 56.73 2.53 1 0 "[ . 1]"
93 . 1 67 ASP C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -139.80 -72.80 -94.76 -79.03 -112.16 1.39 2 0 "[ . 1]"
94 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 LYS N 114.30 163.70 143.99 129.72 161.35 . . 0 "[ . 1]"
95 . 1 68 PHE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -147.10 -84.10 -117.49 -115.62 -118.02 . . 0 "[ . 1]"
96 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 TYR N 115.80 157.20 138.51 115.99 147.75 . . 0 "[ . 1]"
97 . 1 69 LYS C 1 70 TYR N 1 70 TYR CA 1 70 TYR C -133.20 -86.40 -126.91 -134.46 -119.44 1.26 10 0 "[ . 1]"
98 . 1 70 TYR N 1 70 TYR CA 1 70 TYR C 1 71 TYR N 111.10 151.10 130.74 121.39 144.59 . . 0 "[ . 1]"
99 . 1 70 TYR C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -144.60 -104.60 -134.50 -115.23 -125.48 0.46 10 0 "[ . 1]"
100 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 SER N 117.70 169.70 137.00 128.73 160.82 . . 0 "[ . 1]"
101 . 1 71 TYR C 1 72 SER N 1 72 SER CA 1 72 SER C -163.70 -87.30 -144.78 -142.00 -147.49 . . 0 "[ . 1]"
102 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 VAL N 124.50 164.50 145.87 140.05 159.69 . . 0 "[ . 1]"
103 . 1 72 SER C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -146.20 -91.00 -131.30 -133.34 -136.41 . . 0 "[ . 1]"
104 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 THR N 110.20 157.60 134.37 134.96 131.73 . . 0 "[ . 1]"
105 . 1 73 VAL C 1 74 THR N 1 74 THR CA 1 74 THR C -159.60 -104.60 -141.57 -150.47 -129.44 . . 0 "[ . 1]"
106 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 ALA N 138.80 178.80 154.68 158.67 158.27 . . 0 "[ . 1]"
107 . 1 76 GLY C 1 77 PRO N 1 77 PRO CA 1 77 PRO C -89.40 -49.40 -73.85 -77.66 -71.39 . . 0 "[ . 1]"
108 . 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 VAL N 127.50 167.50 154.96 158.90 155.11 . . 0 "[ . 1]"
109 . 1 77 PRO C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -135.00 -83.60 -127.85 -135.70 -119.80 0.70 7 0 "[ . 1]"
110 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 PHE N 107.20 147.20 129.20 135.35 130.97 . . 0 "[ . 1]"
111 . 1 78 VAL C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -126.70 -83.30 -121.73 -128.15 -102.57 1.45 7 0 "[ . 1]"
112 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 ARG N 104.30 148.50 128.49 129.68 128.55 . . 0 "[ . 1]"
113 . 1 79 PHE C 1 80 ARG N 1 80 ARG CA 1 80 ARG C -111.80 -58.00 -79.64 -105.79 -67.61 . . 0 "[ . 1]"
114 . 1 80 ARG N 1 80 ARG CA 1 80 ARG C 1 81 ILE N 87.40 136.80 132.47 126.77 137.33 0.53 9 0 "[ . 1]"
115 . 1 80 ARG C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -87.90 -47.90 -87.66 -89.80 -80.18 1.90 8 0 "[ . 1]"
116 . 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 ASN N -51.20 -7.80 -49.82 -52.11 -37.42 0.91 8 0 "[ . 1]"
117 . 1 84 TYR C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -143.90 -93.10 -134.46 -133.09 -144.07 0.46 9 0 "[ . 1]"
118 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 SER N 120.00 160.00 138.66 126.00 152.71 . . 0 "[ . 1]"
119 . 1 85 VAL C 1 86 SER N 1 86 SER CA 1 86 SER C -138.40 -62.20 -135.67 -130.67 -134.62 2.74 8 0 "[ . 1]"
120 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 LEU N 112.30 152.30 144.04 134.77 152.93 0.63 1 0 "[ . 1]"
121 . 1 86 SER C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -140.60 -99.40 -111.50 -122.73 -98.78 0.62 6 0 "[ . 1]"
122 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 TYR N 116.30 158.90 131.59 123.81 139.79 . . 0 "[ . 1]"
123 . 1 87 LEU C 1 88 TYR N 1 88 TYR CA 1 88 TYR C -153.20 -113.20 -137.60 -144.26 -116.88 . . 0 "[ . 1]"
124 . 1 88 TYR N 1 88 TYR CA 1 88 TYR C 1 89 GLY N 130.60 173.40 155.20 158.79 158.40 . . 0 "[ . 1]"
125 . 1 88 TYR C 1 89 GLY N 1 89 GLY CA 1 89 GLY C -173.70 -88.10 -118.03 -112.83 -117.74 . . 0 "[ . 1]"
126 . 1 89 GLY N 1 89 GLY CA 1 89 GLY C 1 90 LEU N 138.40 178.40 147.11 150.88 148.54 0.74 8 0 "[ . 1]"
127 . 1 89 GLY C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -152.10 -99.10 -115.58 -128.38 -102.41 . . 0 "[ . 1]"
128 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 LEU N 119.20 159.80 125.80 117.91 137.16 1.29 6 0 "[ . 1]"
129 . 1 90 LEU C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -145.80 -105.20 -136.59 -146.20 -122.67 0.40 10 0 "[ . 1]"
130 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 GLY N 116.50 161.90 140.20 151.55 146.83 . . 0 "[ . 1]"
131 . 1 92 GLY C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -153.10 -96.90 -146.43 -143.65 -144.95 . . 0 "[ . 1]"
132 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 GLY N 116.60 157.20 152.57 150.57 155.86 . . 0 "[ . 1]"
133 . 1 93 ALA C 1 94 GLY N 1 94 GLY CA 1 94 GLY C -145.20 -85.60 -110.77 -109.53 -109.59 . . 0 "[ . 1]"
134 . 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 HIS N 127.40 172.60 143.59 145.57 143.72 . . 0 "[ . 1]"
135 . 1 94 GLY C 1 95 HIS N 1 95 HIS CA 1 95 HIS C -145.40 -104.80 -135.07 -147.00 -126.76 1.60 7 0 "[ . 1]"
136 . 1 95 HIS N 1 95 HIS CA 1 95 HIS C 1 96 GLY N 114.10 162.70 139.27 120.64 162.03 . . 0 "[ . 1]"
137 . 1 95 HIS C 1 96 GLY N 1 96 GLY CA 1 96 GLY C -149.70 -96.10 -120.10 -110.69 -116.19 . . 0 "[ . 1]"
138 . 1 96 GLY N 1 96 GLY CA 1 96 GLY C 1 97 LYS N 127.00 176.40 147.73 140.97 158.94 . . 0 "[ . 1]"
139 . 1 96 GLY C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -146.10 -90.90 -126.31 -117.65 -124.68 . . 0 "[ . 1]"
140 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 ALA N 109.90 158.70 138.01 126.74 145.62 . . 0 "[ . 1]"
141 . 1 97 LYS C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -143.30 -103.30 -139.75 -144.29 -125.92 0.99 5 0 "[ . 1]"
142 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 LYS N 113.00 153.00 136.34 146.57 143.85 1.39 10 0 "[ . 1]"
143 . 1 98 ALA C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -132.20 -86.20 -132.75 -130.90 -132.28 1.97 5 0 "[ . 1]"
144 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 PHE N 108.50 148.50 138.14 146.13 134.33 0.94 5 0 "[ . 1]"
145 . 1 99 LYS C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -148.10 -95.10 -107.72 -149.36 -95.12 1.26 10 0 "[ . 1]"
146 . 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 SER N 117.30 163.30 133.81 120.51 159.28 . . 0 "[ . 1]"
147 . 1 100 PHE C 1 101 SER N 1 101 SER CA 1 101 SER C -154.10 -87.70 -93.66 -139.34 -85.91 1.79 7 0 "[ . 1]"
148 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 SER N 115.10 164.50 115.89 116.78 115.68 1.04 6 0 "[ . 1]"
149 . 1 101 SER C 1 102 SER N 1 102 SER CA 1 102 SER C -163.10 -114.70 -163.33 -163.36 -163.57 0.66 10 0 "[ . 1]"
150 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 ILE N 134.50 174.50 163.85 165.92 165.84 0.46 10 0 "[ . 1]"
151 . 1 102 SER C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -142.80 -100.40 -103.98 -100.36 -103.17 1.15 10 0 "[ . 1]"
152 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 PHE N 114.10 155.30 112.82 112.83 112.61 2.24 5 0 "[ . 1]"
153 . 1 103 ILE C 1 104 PHE N 1 104 PHE CA 1 104 PHE C -146.60 -106.60 -148.09 -149.85 -145.76 3.25 6 0 "[ . 1]"
154 . 1 104 PHE N 1 104 PHE CA 1 104 PHE C 1 105 GLY N 130.70 173.70 165.25 173.25 165.15 1.68 10 0 "[ . 1]"
155 . 1 105 GLY C 1 106 GLN N 1 106 GLN CA 1 106 GLN C -160.40 -64.80 -126.42 -137.39 -137.99 . . 0 "[ . 1]"
156 . 1 106 GLN N 1 106 GLN CA 1 106 GLN C 1 107 SER N 111.10 173.90 162.78 146.66 171.11 . . 0 "[ . 1]"
157 . 1 106 GLN C 1 107 SER N 1 107 SER CA 1 107 SER C -154.30 -110.10 -111.47 -132.62 -108.73 1.37 7 0 "[ . 1]"
158 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 GLU N 127.10 167.10 153.19 157.28 157.16 . . 0 "[ . 1]"
159 . 1 107 SER C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -169.40 -125.80 -134.53 -163.68 -125.30 0.50 7 0 "[ . 1]"
160 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 SER N 133.10 173.10 145.62 149.40 141.45 . . 0 "[ . 1]"
161 . 1 108 GLU C 1 109 SER N 1 109 SER CA 1 109 SER C -160.80 -112.20 -146.27 -128.21 -148.79 . . 0 "[ . 1]"
162 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 ARG N 132.10 172.10 157.79 150.86 149.15 . . 0 "[ . 1]"
163 . 1 109 SER C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -167.50 -127.50 -132.59 -128.32 -129.02 1.08 10 0 "[ . 1]"
164 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 SER N 129.10 169.10 147.90 150.16 149.25 . . 0 "[ . 1]"
165 . 1 110 ARG C 1 111 SER N 1 111 SER CA 1 111 SER C -167.20 -101.60 -138.61 -149.90 -105.78 . . 0 "[ . 1]"
166 . 1 111 SER N 1 111 SER CA 1 111 SER C 1 112 LYS N 126.50 169.30 148.37 161.11 152.69 . . 0 "[ . 1]"
167 . 1 111 SER C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -163.50 -105.90 -125.66 -132.03 -108.12 . . 0 "[ . 1]"
168 . 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 THR N 122.50 162.50 150.27 150.62 149.48 . . 0 "[ . 1]"
169 . 1 112 LYS C 1 113 THR N 1 113 THR CA 1 113 THR C -131.10 -79.50 -124.67 -132.40 -117.07 1.30 4 0 "[ . 1]"
170 . 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 SER N 108.50 148.50 141.70 145.56 131.39 2.32 8 0 "[ . 1]"
171 . 1 113 THR C 1 114 SER N 1 114 SER CA 1 114 SER C -160.90 -102.70 -151.07 -160.20 -135.41 . . 0 "[ . 1]"
172 . 1 114 SER N 1 114 SER CA 1 114 SER C 1 115 LEU N 129.40 177.60 159.41 162.35 158.38 . . 0 "[ . 1]"
173 . 1 114 SER C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -99.50 -59.50 -95.58 -101.00 -77.79 1.50 4 0 "[ . 1]"
174 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 ALA N 112.40 152.40 138.67 125.84 145.24 . . 0 "[ . 1]"
175 . 1 115 LEU C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -132.10 -81.10 -117.02 -118.54 -126.95 0.37 7 0 "[ . 1]"
176 . 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 TYR N 92.40 163.20 130.41 129.95 125.72 . . 0 "[ . 1]"
177 . 1 116 ALA C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -156.10 -96.10 -147.87 -147.67 -150.58 . . 0 "[ . 1]"
178 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 GLY N 126.00 176.60 146.31 130.71 160.82 . . 0 "[ . 1]"
179 . 1 120 GLY C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -149.50 -109.50 -132.24 -149.82 -109.43 0.32 2 0 "[ . 1]"
180 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 GLN N 139.20 179.20 155.38 162.30 160.24 . . 0 "[ . 1]"
181 . 1 121 LEU C 1 122 GLN N 1 122 GLN CA 1 122 GLN C -140.30 -93.10 -128.41 -141.69 -117.03 1.39 2 0 "[ . 1]"
182 . 1 122 GLN N 1 122 GLN CA 1 122 GLN C 1 123 PHE N 110.80 150.80 132.94 151.68 137.41 0.88 2 0 "[ . 1]"
183 . 1 122 GLN C 1 123 PHE N 1 123 PHE CA 1 123 PHE C -142.60 -92.80 -123.34 -118.70 -126.45 . . 0 "[ . 1]"
184 . 1 123 PHE N 1 123 PHE CA 1 123 PHE C 1 124 ASN N 114.30 155.10 139.42 137.53 130.64 . . 0 "[ . 1]"
185 . 1 123 PHE C 1 124 ASN N 1 124 ASN CA 1 124 ASN C -159.50 -61.10 -126.51 -137.82 -106.66 . . 0 "[ . 1]"
186 . 1 124 ASN N 1 124 ASN CA 1 124 ASN C 1 125 PRO N 83.60 157.40 84.85 78.65 99.28 4.95 5 0 "[ . 1]"
187 . 1 125 PRO C 1 126 HIS N 1 126 HIS CA 1 126 HIS C 178.00 -105.80 -135.92 -135.14 -135.14 . . 0 "[ . 1]"
188 . 1 126 HIS N 1 126 HIS CA 1 126 HIS C 1 127 PRO N 102.20 -171.20 140.39 119.22 153.64 . . 0 "[ . 1]"
189 . 1 126 HIS C 1 127 PRO N 1 127 PRO CA 1 127 PRO C -76.30 -36.30 -58.01 -69.66 -49.99 . . 0 "[ . 1]"
190 . 1 127 PRO N 1 127 PRO CA 1 127 PRO C 1 128 ASN N -47.00 -7.00 -30.85 -29.29 -33.74 . . 0 "[ . 1]"
191 . 1 127 PRO C 1 128 ASN N 1 128 ASN CA 1 128 ASN C -142.30 -83.10 -90.55 -100.18 -101.72 1.59 3 0 "[ . 1]"
192 . 1 128 ASN N 1 128 ASN CA 1 128 ASN C 1 129 PHE N -24.80 33.20 -2.76 -25.58 14.52 0.78 6 0 "[ . 1]"
193 . 1 128 ASN C 1 129 PHE N 1 129 PHE CA 1 129 PHE C -160.90 -102.10 -143.60 -154.65 -132.91 . . 0 "[ . 1]"
194 . 1 129 PHE N 1 129 PHE CA 1 129 PHE C 1 130 VAL N 112.80 172.40 129.19 126.67 123.34 . . 0 "[ . 1]"
195 . 1 129 PHE C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -147.70 -90.10 -131.46 -139.81 -122.88 . . 0 "[ . 1]"
196 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 ILE N 111.20 151.20 144.39 138.51 134.01 1.95 5 0 "[ . 1]"
197 . 1 130 VAL C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -130.10 -90.10 -119.39 -131.03 -103.93 0.93 4 0 "[ . 1]"
198 . 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 ASP N 107.10 147.10 134.82 123.92 148.23 1.13 8 0 "[ . 1]"
199 . 1 131 ILE C 1 132 ASP N 1 132 ASP CA 1 132 ASP C -145.40 -105.40 -130.25 -146.71 -105.73 1.31 6 0 "[ . 1]"
200 . 1 132 ASP N 1 132 ASP CA 1 132 ASP C 1 133 ALA N 115.20 159.80 138.04 137.03 133.62 1.38 3 0 "[ . 1]"
201 . 1 132 ASP C 1 133 ALA N 1 133 ALA CA 1 133 ALA C -160.50 -87.10 -138.14 -155.26 -117.34 . . 0 "[ . 1]"
202 . 1 133 ALA N 1 133 ALA CA 1 133 ALA C 1 134 SER N 109.20 166.20 135.15 124.72 112.03 . . 0 "[ . 1]"
203 . 1 133 ALA C 1 134 SER N 1 134 SER CA 1 134 SER C -157.90 -106.10 -150.25 -158.17 -133.97 0.27 8 0 "[ . 1]"
204 . 1 134 SER N 1 134 SER CA 1 134 SER C 1 135 TYR N 127.70 173.50 158.35 161.11 153.03 . . 0 "[ . 1]"
205 . 1 134 SER C 1 135 TYR N 1 135 TYR CA 1 135 TYR C -149.40 -109.40 -138.75 -129.27 -139.07 0.43 3 0 "[ . 1]"
206 . 1 135 TYR N 1 135 TYR CA 1 135 TYR C 1 136 GLU N 123.20 163.20 145.79 128.03 156.00 . . 0 "[ . 1]"
207 . 1 135 TYR C 1 136 GLU N 1 136 GLU CA 1 136 GLU C -143.10 -103.10 -139.34 -135.58 -135.78 2.82 8 0 "[ . 1]"
208 . 1 136 GLU N 1 136 GLU CA 1 136 GLU C 1 137 TYR N 120.00 160.00 151.36 138.07 160.40 0.40 8 0 "[ . 1]"
209 . 1 136 GLU C 1 137 TYR N 1 137 TYR CA 1 137 TYR C -143.50 -103.50 -132.03 -131.90 -143.71 2.05 3 0 "[ . 1]"
210 . 1 137 TYR N 1 137 TYR CA 1 137 TYR C 1 138 SER N 120.60 169.40 144.27 139.20 133.09 . . 0 "[ . 1]"
211 . 1 137 TYR C 1 138 SER N 1 138 SER CA 1 138 SER C -174.70 -89.10 -124.48 -109.91 -111.01 . . 0 "[ . 1]"
212 . 1 138 SER N 1 138 SER CA 1 138 SER C 1 139 LYS N 116.30 159.30 131.12 124.47 143.06 . . 0 "[ . 1]"
213 . 1 138 SER C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -108.20 -63.00 -106.71 -110.13 -102.61 1.93 7 0 "[ . 1]"
214 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 LEU N 96.50 148.10 115.80 96.26 140.41 0.24 6 0 "[ . 1]"
215 . 1 139 LYS C 1 140 LEU N 1 140 LEU CA 1 140 LEU C -117.50 -62.70 -109.70 -118.55 -118.96 2.11 10 0 "[ . 1]"
216 . 1 140 LEU N 1 140 LEU CA 1 140 LEU C 1 141 ASP N 68.90 153.70 152.27 151.15 147.29 3.46 6 0 "[ . 1]"
217 . 1 140 LEU C 1 141 ASP N 1 141 ASP CA 1 141 ASP C -86.10 -46.10 -57.57 -60.52 -49.42 . . 0 "[ . 1]"
218 . 1 141 ASP N 1 141 ASP CA 1 141 ASP C 1 142 ASP N -42.30 -2.30 -43.49 -42.91 -43.24 2.63 8 0 "[ . 1]"
219 . 1 141 ASP C 1 142 ASP N 1 142 ASP CA 1 142 ASP C -102.90 -62.90 -104.99 -106.10 -103.37 3.20 6 0 "[ . 1]"
220 . 1 142 ASP N 1 142 ASP CA 1 142 ASP C 1 143 VAL N -31.20 11.60 -32.58 -33.98 -29.59 2.78 9 0 "[ . 1]"
221 . 1 142 ASP C 1 143 VAL N 1 143 VAL CA 1 143 VAL C -102.50 -50.70 -105.82 -106.79 -104.33 4.29 6 0 "[ . 1]"
222 . 1 143 VAL N 1 143 VAL CA 1 143 VAL C 1 144 LYS N 109.60 153.00 133.71 121.47 153.04 0.04 8 0 "[ . 1]"
223 . 1 143 VAL C 1 144 LYS N 1 144 LYS CA 1 144 LYS C -105.90 -58.70 -106.56 -108.15 -102.47 2.25 10 0 "[ . 1]"
224 . 1 144 LYS N 1 144 LYS CA 1 144 LYS C 1 145 VAL N 106.80 149.40 125.52 115.17 136.93 . . 0 "[ . 1]"
225 . 1 144 LYS C 1 145 VAL N 1 145 VAL CA 1 145 VAL C -137.40 -77.40 -128.74 -138.93 -119.85 1.53 9 0 "[ . 1]"
226 . 1 145 VAL N 1 145 VAL CA 1 145 VAL C 1 146 GLY N 111.40 157.40 131.65 130.61 129.63 . . 0 "[ . 1]"
227 . 1 147 THR C 1 148 TRP N 1 148 TRP CA 1 148 TRP C -138.60 -95.00 -123.20 -116.91 -125.94 2.47 5 0 "[ . 1]"
228 . 1 148 TRP N 1 148 TRP CA 1 148 TRP C 1 149 MET N 121.20 161.20 133.42 119.94 151.02 1.26 7 0 "[ . 1]"
229 . 1 148 TRP C 1 149 MET N 1 149 MET CA 1 149 MET C -138.70 -90.50 -129.03 -132.07 -133.43 0.48 4 0 "[ . 1]"
230 . 1 149 MET N 1 149 MET CA 1 149 MET C 1 150 LEU N 108.70 148.70 134.32 117.83 149.74 1.04 4 0 "[ . 1]"
231 . 1 149 MET C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -142.60 -98.20 -141.33 -144.38 -136.06 1.78 7 0 "[ . 1]"
232 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 GLY N 111.00 157.80 133.92 129.82 129.60 . . 0 "[ . 1]"
233 . 1 150 LEU C 1 151 GLY N 1 151 GLY CA 1 151 GLY C 156.10 -100.30 -173.47 -172.12 -175.81 . . 0 "[ . 1]"
234 . 1 151 GLY N 1 151 GLY CA 1 151 GLY C 1 152 ALA N 121.80 -140.60 -177.25 177.66 -169.03 . . 0 "[ . 1]"
235 . 1 151 GLY C 1 152 ALA N 1 152 ALA CA 1 152 ALA C -170.00 -115.20 -144.97 -119.71 -139.42 . . 0 "[ . 1]"
236 . 1 152 ALA N 1 152 ALA CA 1 152 ALA C 1 153 GLY N 136.90 176.90 157.47 145.80 161.02 . . 0 "[ . 1]"
237 . 1 153 GLY C 1 154 TYR N 1 154 TYR CA 1 154 TYR C -153.10 -109.90 -139.32 -149.13 -123.06 . . 0 "[ . 1]"
238 . 1 154 TYR N 1 154 TYR CA 1 154 TYR C 1 155 ARG N 115.90 170.70 151.19 130.05 163.09 . . 0 "[ . 1]"
239 . 1 154 TYR C 1 155 ARG N 1 155 ARG CA 1 155 ARG C -125.50 -76.50 -86.91 -80.41 -86.69 0.95 2 0 "[ . 1]"
240 . 1 155 ARG N 1 155 ARG CA 1 155 ARG C 1 156 PHE N 105.00 147.40 134.52 138.55 129.85 0.58 9 0 "[ . 1]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 12
_TA_constraint_stats_list.Viol_count 10
_TA_constraint_stats_list.Viol_total 76.55
_TA_constraint_stats_list.Viol_max 1.57
_TA_constraint_stats_list.Viol_rms 0.26
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.77
_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 19 GLY C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -90.20 -50.20 -73.97 -91.65 -49.99 1.45 8 0 "[ . 1]"
2 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 LYS N 120.00 160.00 140.30 139.62 134.05 . . 0 "[ . 1]"
3 . 1 63 LEU C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -113.40 -38.20 -74.66 -53.35 -57.95 0.51 8 0 "[ . 1]"
4 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ASP N -55.30 3.30 -23.06 -29.34 -44.94 0.37 9 0 "[ . 1]"
5 . 1 65 ASP C 1 66 GLY N 1 66 GLY CA 1 66 GLY C 66.60 113.80 89.08 69.32 101.49 . . 0 "[ . 1]"
6 . 1 66 GLY N 1 66 GLY CA 1 66 GLY C 1 67 ASP N -40.30 13.30 -17.15 -9.90 -15.93 1.57 3 0 "[ . 1]"
7 . 1 74 THR C 1 75 ALA N 1 75 ALA CA 1 75 ALA C 170.60 -49.40 -157.01 -166.99 -143.75 . . 0 "[ . 1]"
8 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 GLY N 133.30 -177.30 155.57 152.41 152.25 . . 0 "[ . 1]"
9 . 1 145 VAL C 1 146 GLY N 1 146 GLY CA 1 146 GLY C -147.70 -62.30 -119.02 -109.32 -115.00 . . 0 "[ . 1]"
10 . 1 146 GLY N 1 146 GLY CA 1 146 GLY C 1 147 THR N 108.20 175.40 139.68 138.02 134.67 . . 0 "[ . 1]"
11 . 1 146 GLY C 1 147 THR N 1 147 THR CA 1 147 THR C -137.00 -97.00 -124.07 -126.47 -129.58 . . 0 "[ . 1]"
12 . 1 147 THR N 1 147 THR CA 1 147 THR C 1 148 TRP N 107.90 147.90 133.06 123.53 148.26 0.36 5 0 "[ . 1]"
stop_
save_
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