NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497991 |
2l8r   |
17421 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l8r
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 211
_TA_constraint_stats_list.Viol_count 1124
_TA_constraint_stats_list.Viol_total 19054.26
_TA_constraint_stats_list.Viol_max 4.74
_TA_constraint_stats_list.Viol_rms 0.53
_TA_constraint_stats_list.Viol_average_all_restraints 0.23
_TA_constraint_stats_list.Viol_average_violations_only 0.85
_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 PHI 1 12 ARG C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -138.00 -74.00 -118.14 -103.62 -106.63 1.81 17 0 "[ . 1 . 2]"
2 PSI 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 THR N 114.00 146.00 122.56 123.68 121.65 1.94 16 0 "[ . 1 . 2]"
3 PHI 1 13 ILE C 1 14 THR N 1 14 THR CA 1 14 THR C -138.00 -84.00 -106.84 -138.35 -86.08 0.35 4 0 "[ . 1 . 2]"
4 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 TYR N 116.00 146.00 122.72 124.82 124.09 0.86 4 0 "[ . 1 . 2]"
5 PHI 1 14 THR C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -129.00 -87.00 -94.41 -106.26 -86.81 0.19 6 0 "[ . 1 . 2]"
6 PSI 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 VAL N 115.00 143.00 116.93 116.85 115.84 1.59 19 0 "[ . 1 . 2]"
7 PHI 1 15 TYR C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -130.00 -108.00 -127.78 -122.25 -123.86 2.08 17 0 "[ . 1 . 2]"
8 PSI 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 LYS N 121.00 141.00 138.50 128.82 142.22 1.22 15 0 "[ . 1 . 2]"
9 PHI 1 18 GLY C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -108.00 -56.00 -80.83 -76.68 -77.96 1.02 12 0 "[ . 1 . 2]"
10 PSI 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 LEU N 109.00 143.00 138.79 135.73 133.09 0.69 7 0 "[ . 1 . 2]"
11 PHI 1 19 ASP C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -73.00 -47.00 -66.47 -67.66 -68.22 0.47 12 0 "[ . 1 . 2]"
12 PSI 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 PHE N -50.00 -30.00 -32.20 -40.87 -28.64 1.36 15 0 "[ . 1 . 2]"
13 PHI 1 20 LEU C 1 21 PHE N 1 21 PHE CA 1 21 PHE C -77.00 -57.00 -77.19 -79.68 -70.72 2.68 9 0 "[ . 1 . 2]"
14 PSI 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 ALA N -29.00 -1.00 -0.72 0.78 0.08 2.61 6 0 "[ . 1 . 2]"
15 PHI 1 21 PHE C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -112.00 -78.00 -88.26 -77.25 -82.99 2.30 5 0 "[ . 1 . 2]"
16 PSI 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 CYS N -20.00 12.00 4.03 12.16 10.38 2.18 2 0 "[ . 1 . 2]"
17 PHI 1 24 PRO C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -76.00 -56.00 -72.22 -77.98 -55.84 1.98 4 0 "[ . 1 . 2]"
18 PSI 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 THR N -35.00 -7.00 -24.17 -35.03 -12.88 0.03 2 0 "[ . 1 . 2]"
19 PHI 1 25 LYS C 1 26 THR N 1 26 THR CA 1 26 THR C -108.00 -80.00 -82.90 -84.86 -87.33 2.79 8 0 "[ . 1 . 2]"
20 PSI 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 ASP N -30.00 22.00 -14.22 -6.89 -10.10 0.31 13 0 "[ . 1 . 2]"
21 PHI 1 29 LEU C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -164.00 -112.00 -128.13 -141.39 -114.28 . . 0 "[ . 1 . 2]"
22 PSI 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 HIS N 149.00 169.00 151.93 148.45 159.15 0.55 10 0 "[ . 1 . 2]"
23 PHI 1 30 ALA C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -170.00 -130.00 -168.53 -171.01 -161.87 1.01 13 0 "[ . 1 . 2]"
24 PSI 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 CYS N 148.00 168.00 165.00 167.75 166.32 0.29 10 0 "[ . 1 . 2]"
25 PHI 1 31 HIS C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -132.00 -100.00 -101.06 -109.76 -99.07 0.93 7 0 "[ . 1 . 2]"
26 PSI 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 ILE N 138.00 164.00 147.12 150.26 146.51 1.22 18 0 "[ . 1 . 2]"
27 PHI 1 32 CYS C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -150.00 -130.00 -150.03 -151.45 -147.36 1.45 5 0 "[ . 1 . 2]"
28 PSI 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 SER N 143.00 173.00 173.52 173.67 173.49 3.44 4 0 "[ . 1 . 2]"
29 PHI 1 33 ILE C 1 34 SER N 1 34 SER CA 1 34 SER C -137.00 -91.00 -93.13 -90.98 -92.02 2.61 14 0 "[ . 1 . 2]"
30 PSI 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 GLU N 152.00 172.00 167.28 159.16 172.71 0.71 17 0 "[ . 1 . 2]"
31 PHI 1 34 SER C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -69.00 -49.00 -62.44 -66.73 -58.82 . . 0 "[ . 1 . 2]"
32 PSI 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 ASP N -47.00 -21.00 -32.39 -29.87 -32.47 2.10 13 0 "[ . 1 . 2]"
33 PHI 1 35 GLU C 1 36 ASP N 1 36 ASP CA 1 36 ASP C -108.00 -72.00 -72.36 -71.51 -71.78 4.10 13 0 "[ . 1 . 2]"
34 PSI 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 CYS N -25.00 15.00 -9.53 -15.19 -16.41 . . 0 "[ . 1 . 2]"
35 PHI 1 38 ARG C 1 39 MET N 1 39 MET CA 1 39 MET C -94.00 -72.00 -93.56 -96.49 -76.22 2.49 14 0 "[ . 1 . 2]"
36 PSI 1 39 MET N 1 39 MET CA 1 39 MET C 1 40 GLY N -21.00 13.00 1.50 -7.79 -11.73 2.00 15 0 "[ . 1 . 2]"
37 PHI 1 42 GLY C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -70.00 -50.00 -65.28 -62.45 -64.71 1.99 3 0 "[ . 1 . 2]"
38 PSI 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ALA N -39.00 -19.00 -20.96 -35.48 -16.68 2.32 16 0 "[ . 1 . 2]"
39 PHI 1 43 ILE C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -73.00 -53.00 -59.58 -67.29 -52.55 0.45 10 0 "[ . 1 . 2]"
40 PSI 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 VAL N -48.00 -28.00 -29.96 -26.71 -27.16 2.32 2 0 "[ . 1 . 2]"
41 PHI 1 44 ALA C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -76.00 -56.00 -63.36 -73.24 -55.23 0.77 10 0 "[ . 1 . 2]"
42 PSI 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 LEU N -53.00 -33.00 -37.04 -46.20 -46.31 1.30 16 0 "[ . 1 . 2]"
43 PHI 1 45 VAL C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -73.00 -53.00 -65.42 -64.87 -66.80 0.73 8 0 "[ . 1 . 2]"
44 PSI 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 PHE N -49.00 -29.00 -39.82 -31.91 -34.66 1.07 16 0 "[ . 1 . 2]"
45 PHI 1 46 LEU C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -75.00 -55.00 -67.72 -75.18 -61.54 0.18 11 0 "[ . 1 . 2]"
46 PSI 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 LYS N -50.00 -30.00 -39.82 -40.00 -40.72 0.02 16 0 "[ . 1 . 2]"
47 PHI 1 47 PHE C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -77.00 -57.00 -59.23 -58.48 -60.24 1.60 2 0 "[ . 1 . 2]"
48 PSI 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 LYS N -51.00 -31.00 -42.93 -43.85 -46.91 0.52 18 0 "[ . 1 . 2]"
49 PHI 1 48 LYS C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -68.00 -48.00 -67.33 -69.25 -61.10 1.25 7 0 "[ . 1 . 2]"
50 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -54.00 -34.00 -45.91 -47.72 -48.73 0.48 12 0 "[ . 1 . 2]"
51 PHI 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -86.00 -60.00 -77.99 -86.90 -59.16 0.90 6 0 "[ . 1 . 2]"
52 PSI 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 PHE N -45.00 -25.00 -34.86 -36.56 -40.64 1.22 10 0 "[ . 1 . 2]"
53 PHI 1 52 GLY C 1 53 GLY N 1 53 GLY CA 1 53 GLY C -85.00 -49.00 -78.68 -84.08 -85.27 2.44 7 0 "[ . 1 . 2]"
54 PSI 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 VAL N -52.00 -28.00 -26.87 -27.45 -31.18 3.90 20 0 "[ . 1 . 2]"
55 PHI 1 53 GLY C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -71.00 -51.00 -50.09 -54.31 -47.09 3.91 20 0 "[ . 1 . 2]"
56 PSI 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 GLN N -53.00 -33.00 -50.06 -50.33 -51.08 2.10 13 0 "[ . 1 . 2]"
57 PHI 1 54 VAL C 1 55 GLN N 1 55 GLN CA 1 55 GLN C -71.00 -51.00 -66.18 -70.15 -71.04 0.63 11 0 "[ . 1 . 2]"
58 PSI 1 55 GLN N 1 55 GLN CA 1 55 GLN C 1 56 GLU N -49.00 -29.00 -41.77 -49.09 -35.56 0.09 15 0 "[ . 1 . 2]"
59 PHI 1 55 GLN C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -74.00 -54.00 -63.22 -58.68 -59.95 . . 0 "[ . 1 . 2]"
60 PSI 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 LEU N -55.00 -35.00 -35.99 -46.77 -33.55 1.45 19 0 "[ . 1 . 2]"
61 PHI 1 56 GLU C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -75.00 -55.00 -67.91 -68.04 -69.14 . . 0 "[ . 1 . 2]"
62 PSI 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 LEU N -53.00 -33.00 -41.51 -48.95 -32.38 0.62 18 0 "[ . 1 . 2]"
63 PHI 1 57 LEU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -76.00 -56.00 -67.70 -64.97 -65.46 0.12 5 0 "[ . 1 . 2]"
64 PSI 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ASN N -49.00 -29.00 -32.98 -43.43 -27.03 1.97 3 0 "[ . 1 . 2]"
65 PHI 1 58 LEU C 1 59 ASN N 1 59 ASN CA 1 59 ASN C -79.00 -59.00 -74.13 -79.90 -68.47 0.90 19 0 "[ . 1 . 2]"
66 PSI 1 59 ASN N 1 59 ASN CA 1 59 ASN C 1 60 GLN N -37.00 -9.00 -32.72 -37.99 -38.56 2.13 20 0 "[ . 1 . 2]"
67 PHI 1 59 ASN C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -79.00 -59.00 -75.24 -79.55 -79.73 1.92 3 0 "[ . 1 . 2]"
68 PSI 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 GLN N -46.00 -12.00 -30.98 -13.49 -21.28 . . 0 "[ . 1 . 2]"
69 PHI 1 62 LYS C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -143.00 -111.00 -123.40 -114.86 -122.89 1.65 11 0 "[ . 1 . 2]"
70 PSI 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 SER N 149.00 169.00 168.25 147.82 172.69 3.69 1 0 "[ . 1 . 2]"
71 PHI 1 63 LYS C 1 64 SER N 1 64 SER CA 1 64 SER C -68.00 -46.00 -52.97 -63.97 -45.01 0.99 1 0 "[ . 1 . 2]"
72 PSI 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 GLY N 127.00 147.00 130.16 130.24 128.02 1.09 20 0 "[ . 1 . 2]"
73 PHI 1 64 SER C 1 65 GLY N 1 65 GLY CA 1 65 GLY C 68.00 96.00 93.57 85.75 97.16 1.16 15 0 "[ . 1 . 2]"
74 PSI 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 GLU N -13.00 33.00 8.13 3.18 2.17 . . 0 "[ . 1 . 2]"
75 PHI 1 65 GLY C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -151.00 -117.00 -123.00 -140.23 -115.59 1.41 11 0 "[ . 1 . 2]"
76 PSI 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 VAL N 151.00 171.00 171.55 167.46 174.36 3.36 10 0 "[ . 1 . 2]"
77 PHI 1 66 GLU C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -153.00 -125.00 -127.22 -126.13 -127.35 2.24 10 0 "[ . 1 . 2]"
78 PSI 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ALA N 123.00 157.00 138.01 123.78 146.47 . . 0 "[ . 1 . 2]"
79 PHI 1 67 VAL C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -147.00 -103.00 -107.16 -110.20 -111.15 0.67 14 0 "[ . 1 . 2]"
80 PSI 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 VAL N 121.00 151.00 133.82 139.16 134.86 . . 0 "[ . 1 . 2]"
81 PHI 1 68 ALA C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -141.00 -121.00 -126.15 -138.09 -119.96 1.04 7 0 "[ . 1 . 2]"
82 PSI 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 LEU N 123.00 149.00 144.44 144.61 143.68 0.43 8 0 "[ . 1 . 2]"
83 PHI 1 69 VAL C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -151.00 -125.00 -125.54 -127.35 -129.15 2.09 11 0 "[ . 1 . 2]"
84 PSI 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 LYS N 130.00 154.00 135.09 135.39 133.76 0.97 11 0 "[ . 1 . 2]"
85 PHI 1 70 LEU C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -108.00 -84.00 -91.72 -103.03 -84.06 . . 0 "[ . 1 . 2]"
86 PSI 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ARG N 114.00 134.00 113.23 109.26 129.97 4.74 13 0 "[ . 1 . 2]"
87 PHI 1 71 LYS C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -137.00 -105.00 -136.44 -141.44 -123.92 4.44 16 0 "[ . 1 . 2]"
88 PSI 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 ASP N 116.00 158.00 125.97 137.59 132.30 2.22 3 0 "[ . 1 . 2]"
89 PHI 1 72 ARG C 1 73 ASP N 1 73 ASP CA 1 73 ASP C 42.00 62.00 58.69 44.16 62.18 0.18 13 0 "[ . 1 . 2]"
90 PSI 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 GLY N 31.00 51.00 30.19 28.02 51.47 2.98 14 0 "[ . 1 . 2]"
91 PHI 1 73 ASP C 1 74 GLY N 1 74 GLY CA 1 74 GLY C 57.00 87.00 82.06 70.66 88.43 1.43 10 0 "[ . 1 . 2]"
92 PSI 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 ARG N -10.00 36.00 -0.83 -0.92 -7.87 0.28 3 0 "[ . 1 . 2]"
93 PHI 1 74 GLY C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -138.00 -106.00 -114.64 -137.76 -104.77 1.23 12 0 "[ . 1 . 2]"
94 PSI 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 TYR N 136.00 172.00 168.64 172.84 172.59 2.34 6 0 "[ . 1 . 2]"
95 PHI 1 75 ARG C 1 76 TYR N 1 76 TYR CA 1 76 TYR C -141.00 -97.00 -107.70 -119.38 -96.77 0.23 6 0 "[ . 1 . 2]"
96 PSI 1 76 TYR N 1 76 TYR CA 1 76 TYR C 1 77 ILE N 131.00 163.00 146.88 136.41 156.30 . . 0 "[ . 1 . 2]"
97 PHI 1 76 TYR C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -137.00 -91.00 -122.92 -126.86 -117.58 . . 0 "[ . 1 . 2]"
98 PSI 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 TYR N 118.00 142.00 118.28 125.39 120.89 1.22 8 0 "[ . 1 . 2]"
99 PHI 1 77 ILE C 1 78 TYR N 1 78 TYR CA 1 78 TYR C -137.00 -27.00 -101.51 -106.45 -98.20 . . 0 "[ . 1 . 2]"
100 PSI 1 78 TYR N 1 78 TYR CA 1 78 TYR C 1 79 TYR N 109.00 -177.00 128.49 131.77 131.07 . . 0 "[ . 1 . 2]"
101 PHI 1 78 TYR C 1 79 TYR N 1 79 TYR CA 1 79 TYR C -119.00 -69.00 -114.97 -119.58 -106.75 0.58 5 0 "[ . 1 . 2]"
102 PSI 1 79 TYR N 1 79 TYR CA 1 79 TYR C 1 80 LEU N 85.00 145.00 104.23 104.38 103.98 . . 0 "[ . 1 . 2]"
103 PHI 1 79 TYR C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -101.00 -71.00 -77.99 -82.43 -72.87 . . 0 "[ . 1 . 2]"
104 PSI 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 ILE N 113.00 137.00 117.33 116.55 114.66 0.54 10 0 "[ . 1 . 2]"
105 PHI 1 83 LYS C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -83.00 -57.00 -58.97 -56.77 -57.81 1.96 4 0 "[ . 1 . 2]"
106 PSI 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 ARG N -47.00 -17.00 -45.85 -48.48 -48.78 2.57 17 0 "[ . 1 . 2]"
107 PHI 1 84 LYS C 1 85 ARG N 1 85 ARG CA 1 85 ARG C -160.00 -124.00 -135.75 -138.64 -141.59 . . 0 "[ . 1 . 2]"
108 PSI 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 ALA N 152.00 172.00 157.15 149.33 172.05 2.67 10 0 "[ . 1 . 2]"
109 PHI 1 85 ARG C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -68.00 -48.00 -66.51 -68.44 -68.59 1.18 11 0 "[ . 1 . 2]"
110 PSI 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 SER N -47.00 -21.00 -22.65 -31.47 -18.50 2.50 19 0 "[ . 1 . 2]"
111 PHI 1 86 ALA C 1 87 SER N 1 87 SER CA 1 87 SER C -115.00 -75.00 -78.67 -88.11 -73.47 1.53 18 0 "[ . 1 . 2]"
112 PSI 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 HIS N -16.00 10.00 -2.00 4.97 1.64 1.23 10 0 "[ . 1 . 2]"
113 PHI 1 87 SER C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -124.00 -66.00 -99.21 -103.74 -108.30 . . 0 "[ . 1 . 2]"
114 PSI 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 LYS N 129.00 167.00 148.30 143.11 139.64 1.00 10 0 "[ . 1 . 2]"
115 PHI 1 88 HIS C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -138.00 -88.00 -90.53 -104.27 -87.07 0.93 14 0 "[ . 1 . 2]"
116 PSI 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 PRO N 94.00 164.00 126.96 126.19 123.87 . . 0 "[ . 1 . 2]"
117 PSI 1 90 PRO N 1 90 PRO CA 1 90 PRO C 1 91 THR N 142.00 164.00 146.70 140.91 165.34 1.34 3 0 "[ . 1 . 2]"
118 PHI 1 90 PRO C 1 91 THR N 1 91 THR CA 1 91 THR C -109.00 -79.00 -102.65 -93.14 -95.45 1.57 10 0 "[ . 1 . 2]"
119 PSI 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 TYR N 157.00 177.00 157.16 153.81 168.72 3.19 11 0 "[ . 1 . 2]"
120 PHI 1 91 THR C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -71.00 -51.00 -67.93 -69.42 -70.28 1.26 10 0 "[ . 1 . 2]"
121 PSI 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 GLU N -52.00 -32.00 -32.45 -33.17 -36.02 1.56 19 0 "[ . 1 . 2]"
122 PHI 1 92 TYR C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -71.00 -51.00 -56.35 -70.09 -50.81 0.19 13 0 "[ . 1 . 2]"
123 PSI 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 ASN N -50.00 -30.00 -47.42 -45.36 -48.88 1.75 9 0 "[ . 1 . 2]"
124 PHI 1 93 GLU C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -74.70 -54.70 -66.16 -75.63 -54.40 0.93 9 0 "[ . 1 . 2]"
125 PSI 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 LEU N -50.70 -30.70 -40.02 -31.57 -32.97 0.56 7 0 "[ . 1 . 2]"
126 PHI 1 94 ASN C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -78.00 -58.00 -65.17 -66.83 -66.98 0.04 10 0 "[ . 1 . 2]"
127 PSI 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 GLN N -52.00 -32.00 -43.47 -49.31 -38.03 . . 0 "[ . 1 . 2]"
128 PHI 1 95 LEU C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -72.00 -52.00 -57.89 -55.31 -56.21 . . 0 "[ . 1 . 2]"
129 PSI 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 LYS N -55.00 -35.00 -47.80 -52.08 -38.35 . . 0 "[ . 1 . 2]"
130 PHI 1 96 GLN C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -74.00 -54.00 -61.66 -69.36 -55.02 . . 0 "[ . 1 . 2]"
131 PSI 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 SER N -44.00 -24.00 -33.92 -40.96 -43.02 0.82 12 0 "[ . 1 . 2]"
132 PHI 1 97 LYS C 1 98 SER N 1 98 SER CA 1 98 SER C -80.00 -60.00 -73.08 -70.98 -72.65 0.90 12 0 "[ . 1 . 2]"
133 PSI 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 LEU N -50.00 -30.00 -39.58 -44.82 -31.27 . . 0 "[ . 1 . 2]"
134 PHI 1 98 SER C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -73.00 -53.00 -63.28 -64.08 -65.29 0.19 12 0 "[ . 1 . 2]"
135 PSI 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 GLU N -51.00 -31.00 -39.70 -45.33 -34.52 . . 0 "[ . 1 . 2]"
136 PHI 1 99 LEU C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -74.00 -54.00 -64.49 -74.59 -56.40 0.59 12 0 "[ . 1 . 2]"
137 PSI 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 ALA N -50.00 -30.00 -34.12 -29.79 -31.94 1.63 13 0 "[ . 1 . 2]"
138 PHI 1 100 GLU C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -75.00 -55.00 -69.25 -75.82 -61.66 0.82 6 0 "[ . 1 . 2]"
139 PSI 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 MET N -49.00 -29.00 -38.93 -46.25 -31.51 . . 0 "[ . 1 . 2]"
140 PHI 1 101 ALA C 1 102 MET N 1 102 MET CA 1 102 MET C -76.00 -56.00 -67.87 -67.22 -68.81 . . 0 "[ . 1 . 2]"
141 PSI 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 LYS N -53.00 -33.00 -41.30 -46.93 -47.66 1.68 6 0 "[ . 1 . 2]"
142 PHI 1 102 MET C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -73.00 -53.00 -58.64 -59.06 -59.95 . . 0 "[ . 1 . 2]"
143 PSI 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 SER N -56.00 -36.00 -47.76 -56.75 -40.35 0.75 11 0 "[ . 1 . 2]"
144 PHI 1 103 LYS C 1 104 SER N 1 104 SER CA 1 104 SER C -73.00 -53.00 -58.54 -61.86 -50.49 2.51 11 0 "[ . 1 . 2]"
145 PSI 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 HIS N -49.00 -29.00 -44.21 -49.65 -32.61 0.65 11 0 "[ . 1 . 2]"
146 PHI 1 104 SER C 1 105 HIS N 1 105 HIS CA 1 105 HIS C -74.00 -54.00 -63.62 -67.51 -72.77 0.09 5 0 "[ . 1 . 2]"
147 PSI 1 105 HIS N 1 105 HIS CA 1 105 HIS C 1 106 CYS N -55.00 -35.00 -43.41 -43.92 -44.00 . . 0 "[ . 1 . 2]"
148 PHI 1 105 HIS C 1 106 CYS N 1 106 CYS CA 1 106 CYS C -72.00 -52.00 -61.09 -65.07 -58.05 . . 0 "[ . 1 . 2]"
149 PSI 1 106 CYS N 1 106 CYS CA 1 106 CYS C 1 107 LEU N -55.00 -35.00 -49.84 -51.57 -53.74 0.66 5 0 "[ . 1 . 2]"
150 PHI 1 106 CYS C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -74.00 -54.00 -61.94 -60.10 -60.88 . . 0 "[ . 1 . 2]"
151 PSI 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 LYS N -52.00 -26.00 -36.49 -47.00 -25.69 0.31 3 0 "[ . 1 . 2]"
152 PHI 1 107 LEU C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -75.00 -55.00 -67.94 -75.76 -60.09 0.76 10 0 "[ . 1 . 2]"
153 PSI 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 ASN N -47.00 -27.00 -39.59 -42.99 -44.25 0.41 6 0 "[ . 1 . 2]"
154 PHI 1 108 LYS C 1 109 ASN N 1 109 ASN CA 1 109 ASN C -109.00 -79.00 -93.15 -88.29 -88.46 . . 0 "[ . 1 . 2]"
155 PSI 1 109 ASN N 1 109 ASN CA 1 109 ASN C 1 110 GLY N -15.00 5.00 -8.59 -8.37 -11.23 0.85 11 0 "[ . 1 . 2]"
156 PHI 1 113 ASP C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -136.00 -116.00 -129.03 -128.04 -130.51 1.41 12 0 "[ . 1 . 2]"
157 PSI 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 SER N 126.00 148.00 128.57 132.16 130.42 1.07 3 0 "[ . 1 . 2]"
158 PHI 1 114 LEU C 1 115 SER N 1 115 SER CA 1 115 SER C -139.00 -79.00 -119.03 -129.55 -107.10 . . 0 "[ . 1 . 2]"
159 PSI 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 MET N 126.00 164.00 135.64 125.33 152.02 0.67 9 0 "[ . 1 . 2]"
160 PHI 1 115 SER C 1 116 MET N 1 116 MET CA 1 116 MET C -153.00 -95.00 -144.32 -152.31 -152.97 . . 0 "[ . 1 . 2]"
161 PSI 1 116 MET N 1 116 MET CA 1 116 MET C 1 117 PRO N 110.00 168.00 159.85 150.10 166.37 . . 0 "[ . 1 . 2]"
162 PHI 1 122 GLY C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -70.00 -50.00 -68.60 -67.73 -69.22 1.51 10 0 "[ . 1 . 2]"
163 PSI 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 ASP N -44.00 -18.00 -18.94 -30.23 -15.31 2.69 3 0 "[ . 1 . 2]"
164 PHI 1 123 LEU C 1 124 ASP N 1 124 ASP CA 1 124 ASP C -86.00 -54.00 -64.74 -76.25 -54.70 . . 0 "[ . 1 . 2]"
165 PSI 1 124 ASP N 1 124 ASP CA 1 124 ASP C 1 125 ARG N -37.00 7.00 -28.41 -38.67 -12.57 1.67 17 0 "[ . 1 . 2]"
166 PHI 1 126 LEU C 1 127 GLN N 1 127 GLN CA 1 127 GLN C -98.00 -62.00 -97.41 -91.75 -98.10 1.78 5 0 "[ . 1 . 2]"
167 PSI 1 127 GLN N 1 127 GLN CA 1 127 GLN C 1 128 TRP N 109.00 145.00 127.06 119.37 116.09 . . 0 "[ . 1 . 2]"
168 PHI 1 127 GLN C 1 128 TRP N 1 128 TRP CA 1 128 TRP C -66.00 -46.00 -60.94 -67.05 -56.61 1.05 18 0 "[ . 1 . 2]"
169 PSI 1 128 TRP N 1 128 TRP CA 1 128 TRP C 1 129 GLU N -51.00 -27.00 -32.25 -32.89 -34.66 0.03 7 0 "[ . 1 . 2]"
170 PHI 1 128 TRP C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -70.00 -50.00 -54.20 -54.83 -55.79 0.24 6 0 "[ . 1 . 2]"
171 PSI 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 ASN N -51.00 -31.00 -42.70 -50.14 -32.00 . . 0 "[ . 1 . 2]"
172 PHI 1 129 GLU C 1 130 ASN N 1 130 ASN CA 1 130 ASN C -75.00 -55.00 -75.22 -76.27 -76.63 2.88 8 0 "[ . 1 . 2]"
173 PSI 1 130 ASN N 1 130 ASN CA 1 130 ASN C 1 131 VAL N -47.00 -27.00 -45.79 -48.16 -38.98 1.16 18 0 "[ . 1 . 2]"
174 PHI 1 130 ASN C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -75.00 -55.00 -60.36 -61.78 -62.80 . . 0 "[ . 1 . 2]"
175 PSI 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 SER N -55.00 -35.00 -52.28 -53.32 -53.69 0.54 11 0 "[ . 1 . 2]"
176 PHI 1 131 VAL C 1 132 SER N 1 132 SER CA 1 132 SER C -71.00 -51.00 -56.76 -54.85 -55.20 . . 0 "[ . 1 . 2]"
177 PSI 1 132 SER N 1 132 SER CA 1 132 SER C 1 133 ALA N -54.00 -34.00 -45.41 -50.80 -53.00 . . 0 "[ . 1 . 2]"
178 PHI 1 132 SER C 1 133 ALA N 1 133 ALA CA 1 133 ALA C -73.00 -53.00 -63.25 -71.36 -56.66 . . 0 "[ . 1 . 2]"
179 PSI 1 133 ALA N 1 133 ALA CA 1 133 ALA C 1 134 MET N -50.00 -30.00 -38.13 -36.48 -37.15 0.28 15 0 "[ . 1 . 2]"
180 PHI 1 133 ALA C 1 134 MET N 1 134 MET CA 1 134 MET C -76.00 -56.00 -66.33 -76.03 -55.66 0.34 10 0 "[ . 1 . 2]"
181 PSI 1 134 MET N 1 134 MET CA 1 134 MET C 1 135 ILE N -53.00 -33.00 -44.64 -51.56 -37.79 . . 0 "[ . 1 . 2]"
182 PHI 1 134 MET C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -72.00 -52.00 -59.74 -64.21 -54.61 . . 0 "[ . 1 . 2]"
183 PSI 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 GLU N -54.00 -34.00 -46.61 -44.08 -44.20 . . 0 "[ . 1 . 2]"
184 PHI 1 135 ILE C 1 136 GLU N 1 136 GLU CA 1 136 GLU C -69.00 -49.00 -63.09 -69.29 -55.03 0.29 18 0 "[ . 1 . 2]"
185 PSI 1 136 GLU N 1 136 GLU CA 1 136 GLU C 1 137 GLU N -50.00 -30.00 -32.27 -43.47 -28.82 1.18 12 0 "[ . 1 . 2]"
186 PHI 1 136 GLU C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -77.00 -57.00 -72.30 -77.25 -77.35 0.35 1 0 "[ . 1 . 2]"
187 PSI 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 VAL N -53.00 -33.00 -42.91 -33.62 -37.36 0.45 13 0 "[ . 1 . 2]"
188 PHI 1 137 GLU C 1 138 VAL N 1 138 VAL CA 1 138 VAL C -74.00 -54.00 -66.39 -75.16 -56.42 1.16 7 0 "[ . 1 . 2]"
189 PSI 1 138 VAL N 1 138 VAL CA 1 138 VAL C 1 139 PHE N -53.00 -33.00 -42.30 -40.12 -41.41 . . 0 "[ . 1 . 2]"
190 PHI 1 138 VAL C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -96.00 -60.00 -96.62 -96.85 -97.15 2.52 16 0 "[ . 1 . 2]"
191 PSI 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 GLU N -40.00 10.00 8.31 -3.23 13.26 3.26 6 0 "[ . 1 . 2]"
192 PHI 1 139 PHE C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -84.00 -52.00 -57.22 -74.08 -50.19 1.81 6 0 "[ . 1 . 2]"
193 PSI 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 ALA N -40.00 -10.00 -36.88 -16.39 -31.77 1.60 1 0 "[ . 1 . 2]"
194 PHI 1 141 ALA C 1 142 THR N 1 142 THR CA 1 142 THR C -143.00 -103.00 -119.15 -134.67 -143.13 0.71 11 0 "[ . 1 . 2]"
195 PSI 1 142 THR N 1 142 THR CA 1 142 THR C 1 143 ASP N 135.00 175.00 166.09 164.01 162.56 0.72 5 0 "[ . 1 . 2]"
196 PHI 1 142 THR C 1 143 ASP N 1 143 ASP CA 1 143 ASP C -120.00 -90.00 -95.06 -111.84 -88.47 1.53 3 0 "[ . 1 . 2]"
197 PSI 1 143 ASP N 1 143 ASP CA 1 143 ASP C 1 144 ILE N -23.00 15.00 10.67 -0.74 16.94 1.94 7 0 "[ . 1 . 2]"
198 PHI 1 143 ASP C 1 144 ILE N 1 144 ILE CA 1 144 ILE C -109.00 -63.00 -74.69 -65.54 -69.54 0.88 3 0 "[ . 1 . 2]"
199 PSI 1 144 ILE N 1 144 ILE CA 1 144 ILE C 1 145 LYS N 121.00 141.00 125.69 120.23 120.06 0.94 1 0 "[ . 1 . 2]"
200 PHI 1 144 ILE C 1 145 LYS N 1 145 LYS CA 1 145 LYS C -125.00 -79.00 -97.60 -112.24 -85.33 . . 0 "[ . 1 . 2]"
201 PSI 1 145 LYS N 1 145 LYS CA 1 145 LYS C 1 146 ILE N 115.00 135.00 122.65 114.25 113.23 1.77 1 0 "[ . 1 . 2]"
202 PHI 1 145 LYS C 1 146 ILE N 1 146 ILE CA 1 146 ILE C -123.00 -101.00 -106.87 -102.35 -104.45 1.01 2 0 "[ . 1 . 2]"
203 PSI 1 146 ILE N 1 146 ILE CA 1 146 ILE C 1 147 THR N 103.00 147.00 120.10 102.81 137.47 0.19 18 0 "[ . 1 . 2]"
204 PHI 1 146 ILE C 1 147 THR N 1 147 THR CA 1 147 THR C -135.00 -103.00 -114.85 -123.64 -128.97 0.35 1 0 "[ . 1 . 2]"
205 PSI 1 147 THR N 1 147 THR CA 1 147 THR C 1 148 VAL N 115.00 135.00 121.55 114.55 129.20 0.45 17 0 "[ . 1 . 2]"
206 PHI 1 147 THR C 1 148 VAL N 1 148 VAL CA 1 148 VAL C -123.00 -103.00 -104.15 -109.44 -101.51 1.49 9 0 "[ . 1 . 2]"
207 PSI 1 148 VAL N 1 148 VAL CA 1 148 VAL C 1 149 TYR N 114.00 134.00 128.78 121.17 134.62 0.62 5 0 "[ . 1 . 2]"
208 PHI 1 148 VAL C 1 149 TYR N 1 149 TYR CA 1 149 TYR C -119.00 -87.00 -93.35 -89.97 -91.47 0.78 17 0 "[ . 1 . 2]"
209 PSI 1 149 TYR N 1 149 TYR CA 1 149 TYR C 1 150 THR N 122.00 142.00 121.24 121.06 120.89 2.22 17 0 "[ . 1 . 2]"
210 PHI 1 149 TYR C 1 150 THR N 1 150 THR CA 1 150 THR C -139.00 -105.00 -115.80 -138.99 -103.84 1.16 12 0 "[ . 1 . 2]"
211 PSI 1 150 THR N 1 150 THR CA 1 150 THR C 1 151 LEU N 117.00 139.00 120.56 114.56 139.43 2.44 6 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 211
_TA_constraint_stats_list.Viol_count 1124
_TA_constraint_stats_list.Viol_total 19054.26
_TA_constraint_stats_list.Viol_max 4.74
_TA_constraint_stats_list.Viol_rms 0.53
_TA_constraint_stats_list.Viol_average_all_restraints 0.23
_TA_constraint_stats_list.Viol_average_violations_only 0.85
_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 PHI 1 12 ARG C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -138.00 -74.00 -118.14 -103.62 -106.63 1.81 17 0 "[ . 1 . 2]"
2 PSI 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 THR N 114.00 146.00 122.56 123.68 121.65 1.94 16 0 "[ . 1 . 2]"
3 PHI 1 13 ILE C 1 14 THR N 1 14 THR CA 1 14 THR C -138.00 -84.00 -106.84 -138.35 -86.08 0.35 4 0 "[ . 1 . 2]"
4 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 TYR N 116.00 146.00 122.72 124.82 124.09 0.86 4 0 "[ . 1 . 2]"
5 PHI 1 14 THR C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -129.00 -87.00 -94.41 -106.26 -86.81 0.19 6 0 "[ . 1 . 2]"
6 PSI 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 VAL N 115.00 143.00 116.93 116.85 115.84 1.59 19 0 "[ . 1 . 2]"
7 PHI 1 15 TYR C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -130.00 -108.00 -127.78 -122.25 -123.86 2.08 17 0 "[ . 1 . 2]"
8 PSI 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 LYS N 121.00 141.00 138.50 128.82 142.22 1.22 15 0 "[ . 1 . 2]"
9 PHI 1 18 GLY C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -108.00 -56.00 -80.83 -76.68 -77.96 1.02 12 0 "[ . 1 . 2]"
10 PSI 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 LEU N 109.00 143.00 138.79 135.73 133.09 0.69 7 0 "[ . 1 . 2]"
11 PHI 1 19 ASP C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -73.00 -47.00 -66.47 -67.66 -68.22 0.47 12 0 "[ . 1 . 2]"
12 PSI 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 PHE N -50.00 -30.00 -32.20 -40.87 -28.64 1.36 15 0 "[ . 1 . 2]"
13 PHI 1 20 LEU C 1 21 PHE N 1 21 PHE CA 1 21 PHE C -77.00 -57.00 -77.19 -79.68 -70.72 2.68 9 0 "[ . 1 . 2]"
14 PSI 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 ALA N -29.00 -1.00 -0.72 0.78 0.08 2.61 6 0 "[ . 1 . 2]"
15 PHI 1 21 PHE C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -112.00 -78.00 -88.26 -77.25 -82.99 2.30 5 0 "[ . 1 . 2]"
16 PSI 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 CYS N -20.00 12.00 4.03 12.16 10.38 2.18 2 0 "[ . 1 . 2]"
17 PHI 1 24 PRO C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -76.00 -56.00 -72.22 -77.98 -55.84 1.98 4 0 "[ . 1 . 2]"
18 PSI 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 THR N -35.00 -7.00 -24.17 -35.03 -12.88 0.03 2 0 "[ . 1 . 2]"
19 PHI 1 25 LYS C 1 26 THR N 1 26 THR CA 1 26 THR C -108.00 -80.00 -82.90 -84.86 -87.33 2.79 8 0 "[ . 1 . 2]"
20 PSI 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 ASP N -30.00 22.00 -14.22 -6.89 -10.10 0.31 13 0 "[ . 1 . 2]"
21 PHI 1 29 LEU C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -164.00 -112.00 -128.13 -141.39 -114.28 . . 0 "[ . 1 . 2]"
22 PSI 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 HIS N 149.00 169.00 151.93 148.45 159.15 0.55 10 0 "[ . 1 . 2]"
23 PHI 1 30 ALA C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -170.00 -130.00 -168.53 -171.01 -161.87 1.01 13 0 "[ . 1 . 2]"
24 PSI 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 CYS N 148.00 168.00 165.00 167.75 166.32 0.29 10 0 "[ . 1 . 2]"
25 PHI 1 31 HIS C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -132.00 -100.00 -101.06 -109.76 -99.07 0.93 7 0 "[ . 1 . 2]"
26 PSI 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 ILE N 138.00 164.00 147.12 150.26 146.51 1.22 18 0 "[ . 1 . 2]"
27 PHI 1 32 CYS C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -150.00 -130.00 -150.03 -151.45 -147.36 1.45 5 0 "[ . 1 . 2]"
28 PSI 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 SER N 143.00 173.00 173.52 173.67 173.49 3.44 4 0 "[ . 1 . 2]"
29 PHI 1 33 ILE C 1 34 SER N 1 34 SER CA 1 34 SER C -137.00 -91.00 -93.13 -90.98 -92.02 2.61 14 0 "[ . 1 . 2]"
30 PSI 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 GLU N 152.00 172.00 167.28 159.16 172.71 0.71 17 0 "[ . 1 . 2]"
31 PHI 1 34 SER C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -69.00 -49.00 -62.44 -66.73 -58.82 . . 0 "[ . 1 . 2]"
32 PSI 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 ASP N -47.00 -21.00 -32.39 -29.87 -32.47 2.10 13 0 "[ . 1 . 2]"
33 PHI 1 35 GLU C 1 36 ASP N 1 36 ASP CA 1 36 ASP C -108.00 -72.00 -72.36 -71.51 -71.78 4.10 13 0 "[ . 1 . 2]"
34 PSI 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 CYS N -25.00 15.00 -9.53 -15.19 -16.41 . . 0 "[ . 1 . 2]"
35 PHI 1 38 ARG C 1 39 MET N 1 39 MET CA 1 39 MET C -94.00 -72.00 -93.56 -96.49 -76.22 2.49 14 0 "[ . 1 . 2]"
36 PSI 1 39 MET N 1 39 MET CA 1 39 MET C 1 40 GLY N -21.00 13.00 1.50 -7.79 -11.73 2.00 15 0 "[ . 1 . 2]"
37 PHI 1 42 GLY C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -70.00 -50.00 -65.28 -62.45 -64.71 1.99 3 0 "[ . 1 . 2]"
38 PSI 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ALA N -39.00 -19.00 -20.96 -35.48 -16.68 2.32 16 0 "[ . 1 . 2]"
39 PHI 1 43 ILE C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -73.00 -53.00 -59.58 -67.29 -52.55 0.45 10 0 "[ . 1 . 2]"
40 PSI 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 VAL N -48.00 -28.00 -29.96 -26.71 -27.16 2.32 2 0 "[ . 1 . 2]"
41 PHI 1 44 ALA C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -76.00 -56.00 -63.36 -73.24 -55.23 0.77 10 0 "[ . 1 . 2]"
42 PSI 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 LEU N -53.00 -33.00 -37.04 -46.20 -46.31 1.30 16 0 "[ . 1 . 2]"
43 PHI 1 45 VAL C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -73.00 -53.00 -65.42 -64.87 -66.80 0.73 8 0 "[ . 1 . 2]"
44 PSI 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 PHE N -49.00 -29.00 -39.82 -31.91 -34.66 1.07 16 0 "[ . 1 . 2]"
45 PHI 1 46 LEU C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -75.00 -55.00 -67.72 -75.18 -61.54 0.18 11 0 "[ . 1 . 2]"
46 PSI 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 LYS N -50.00 -30.00 -39.82 -40.00 -40.72 0.02 16 0 "[ . 1 . 2]"
47 PHI 1 47 PHE C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -77.00 -57.00 -59.23 -58.48 -60.24 1.60 2 0 "[ . 1 . 2]"
48 PSI 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 LYS N -51.00 -31.00 -42.93 -43.85 -46.91 0.52 18 0 "[ . 1 . 2]"
49 PHI 1 48 LYS C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -68.00 -48.00 -67.33 -69.25 -61.10 1.25 7 0 "[ . 1 . 2]"
50 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -54.00 -34.00 -45.91 -47.72 -48.73 0.48 12 0 "[ . 1 . 2]"
51 PHI 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -86.00 -60.00 -77.99 -86.90 -59.16 0.90 6 0 "[ . 1 . 2]"
52 PSI 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 PHE N -45.00 -25.00 -34.86 -36.56 -40.64 1.22 10 0 "[ . 1 . 2]"
53 PHI 1 52 GLY C 1 53 GLY N 1 53 GLY CA 1 53 GLY C -85.00 -49.00 -78.68 -84.08 -85.27 2.44 7 0 "[ . 1 . 2]"
54 PSI 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 VAL N -52.00 -28.00 -26.87 -27.45 -31.18 3.90 20 0 "[ . 1 . 2]"
55 PHI 1 53 GLY C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -71.00 -51.00 -50.09 -54.31 -47.09 3.91 20 0 "[ . 1 . 2]"
56 PSI 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 GLN N -53.00 -33.00 -50.06 -50.33 -51.08 2.10 13 0 "[ . 1 . 2]"
57 PHI 1 54 VAL C 1 55 GLN N 1 55 GLN CA 1 55 GLN C -71.00 -51.00 -66.18 -70.15 -71.04 0.63 11 0 "[ . 1 . 2]"
58 PSI 1 55 GLN N 1 55 GLN CA 1 55 GLN C 1 56 GLU N -49.00 -29.00 -41.77 -49.09 -35.56 0.09 15 0 "[ . 1 . 2]"
59 PHI 1 55 GLN C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -74.00 -54.00 -63.22 -58.68 -59.95 . . 0 "[ . 1 . 2]"
60 PSI 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 LEU N -55.00 -35.00 -35.99 -46.77 -33.55 1.45 19 0 "[ . 1 . 2]"
61 PHI 1 56 GLU C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -75.00 -55.00 -67.91 -68.04 -69.14 . . 0 "[ . 1 . 2]"
62 PSI 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 LEU N -53.00 -33.00 -41.51 -48.95 -32.38 0.62 18 0 "[ . 1 . 2]"
63 PHI 1 57 LEU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -76.00 -56.00 -67.70 -64.97 -65.46 0.12 5 0 "[ . 1 . 2]"
64 PSI 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ASN N -49.00 -29.00 -32.98 -43.43 -27.03 1.97 3 0 "[ . 1 . 2]"
65 PHI 1 58 LEU C 1 59 ASN N 1 59 ASN CA 1 59 ASN C -79.00 -59.00 -74.13 -79.90 -68.47 0.90 19 0 "[ . 1 . 2]"
66 PSI 1 59 ASN N 1 59 ASN CA 1 59 ASN C 1 60 GLN N -37.00 -9.00 -32.72 -37.99 -38.56 2.13 20 0 "[ . 1 . 2]"
67 PHI 1 59 ASN C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -79.00 -59.00 -75.24 -79.55 -79.73 1.92 3 0 "[ . 1 . 2]"
68 PSI 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 GLN N -46.00 -12.00 -30.98 -13.49 -21.28 . . 0 "[ . 1 . 2]"
69 PHI 1 62 LYS C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -143.00 -111.00 -123.40 -114.86 -122.89 1.65 11 0 "[ . 1 . 2]"
70 PSI 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 SER N 149.00 169.00 168.25 147.82 172.69 3.69 1 0 "[ . 1 . 2]"
71 PHI 1 63 LYS C 1 64 SER N 1 64 SER CA 1 64 SER C -68.00 -46.00 -52.97 -63.97 -45.01 0.99 1 0 "[ . 1 . 2]"
72 PSI 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 GLY N 127.00 147.00 130.16 130.24 128.02 1.09 20 0 "[ . 1 . 2]"
73 PHI 1 64 SER C 1 65 GLY N 1 65 GLY CA 1 65 GLY C 68.00 96.00 93.57 85.75 97.16 1.16 15 0 "[ . 1 . 2]"
74 PSI 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 GLU N -13.00 33.00 8.13 3.18 2.17 . . 0 "[ . 1 . 2]"
75 PHI 1 65 GLY C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -151.00 -117.00 -123.00 -140.23 -115.59 1.41 11 0 "[ . 1 . 2]"
76 PSI 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 VAL N 151.00 171.00 171.55 167.46 174.36 3.36 10 0 "[ . 1 . 2]"
77 PHI 1 66 GLU C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -153.00 -125.00 -127.22 -126.13 -127.35 2.24 10 0 "[ . 1 . 2]"
78 PSI 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ALA N 123.00 157.00 138.01 123.78 146.47 . . 0 "[ . 1 . 2]"
79 PHI 1 67 VAL C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -147.00 -103.00 -107.16 -110.20 -111.15 0.67 14 0 "[ . 1 . 2]"
80 PSI 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 VAL N 121.00 151.00 133.82 139.16 134.86 . . 0 "[ . 1 . 2]"
81 PHI 1 68 ALA C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -141.00 -121.00 -126.15 -138.09 -119.96 1.04 7 0 "[ . 1 . 2]"
82 PSI 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 LEU N 123.00 149.00 144.44 144.61 143.68 0.43 8 0 "[ . 1 . 2]"
83 PHI 1 69 VAL C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -151.00 -125.00 -125.54 -127.35 -129.15 2.09 11 0 "[ . 1 . 2]"
84 PSI 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 LYS N 130.00 154.00 135.09 135.39 133.76 0.97 11 0 "[ . 1 . 2]"
85 PHI 1 70 LEU C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -108.00 -84.00 -91.72 -103.03 -84.06 . . 0 "[ . 1 . 2]"
86 PSI 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ARG N 114.00 134.00 113.23 109.26 129.97 4.74 13 0 "[ . 1 . 2]"
87 PHI 1 71 LYS C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -137.00 -105.00 -136.44 -141.44 -123.92 4.44 16 0 "[ . 1 . 2]"
88 PSI 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 ASP N 116.00 158.00 125.97 137.59 132.30 2.22 3 0 "[ . 1 . 2]"
89 PHI 1 72 ARG C 1 73 ASP N 1 73 ASP CA 1 73 ASP C 42.00 62.00 58.69 44.16 62.18 0.18 13 0 "[ . 1 . 2]"
90 PSI 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 GLY N 31.00 51.00 30.19 28.02 51.47 2.98 14 0 "[ . 1 . 2]"
91 PHI 1 73 ASP C 1 74 GLY N 1 74 GLY CA 1 74 GLY C 57.00 87.00 82.06 70.66 88.43 1.43 10 0 "[ . 1 . 2]"
92 PSI 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 ARG N -10.00 36.00 -0.83 -0.92 -7.87 0.28 3 0 "[ . 1 . 2]"
93 PHI 1 74 GLY C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -138.00 -106.00 -114.64 -137.76 -104.77 1.23 12 0 "[ . 1 . 2]"
94 PSI 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 TYR N 136.00 172.00 168.64 172.84 172.59 2.34 6 0 "[ . 1 . 2]"
95 PHI 1 75 ARG C 1 76 TYR N 1 76 TYR CA 1 76 TYR C -141.00 -97.00 -107.70 -119.38 -96.77 0.23 6 0 "[ . 1 . 2]"
96 PSI 1 76 TYR N 1 76 TYR CA 1 76 TYR C 1 77 ILE N 131.00 163.00 146.88 136.41 156.30 . . 0 "[ . 1 . 2]"
97 PHI 1 76 TYR C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -137.00 -91.00 -122.92 -126.86 -117.58 . . 0 "[ . 1 . 2]"
98 PSI 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 TYR N 118.00 142.00 118.28 125.39 120.89 1.22 8 0 "[ . 1 . 2]"
99 PHI 1 77 ILE C 1 78 TYR N 1 78 TYR CA 1 78 TYR C -137.00 -27.00 -101.51 -106.45 -98.20 . . 0 "[ . 1 . 2]"
100 PSI 1 78 TYR N 1 78 TYR CA 1 78 TYR C 1 79 TYR N 109.00 -177.00 128.49 131.77 131.07 . . 0 "[ . 1 . 2]"
101 PHI 1 78 TYR C 1 79 TYR N 1 79 TYR CA 1 79 TYR C -119.00 -69.00 -114.97 -119.58 -106.75 0.58 5 0 "[ . 1 . 2]"
102 PSI 1 79 TYR N 1 79 TYR CA 1 79 TYR C 1 80 LEU N 85.00 145.00 104.23 104.38 103.98 . . 0 "[ . 1 . 2]"
103 PHI 1 79 TYR C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -101.00 -71.00 -77.99 -82.43 -72.87 . . 0 "[ . 1 . 2]"
104 PSI 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 ILE N 113.00 137.00 117.33 116.55 114.66 0.54 10 0 "[ . 1 . 2]"
105 PHI 1 83 LYS C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -83.00 -57.00 -58.97 -56.77 -57.81 1.96 4 0 "[ . 1 . 2]"
106 PSI 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 ARG N -47.00 -17.00 -45.85 -48.48 -48.78 2.57 17 0 "[ . 1 . 2]"
107 PHI 1 84 LYS C 1 85 ARG N 1 85 ARG CA 1 85 ARG C -160.00 -124.00 -135.75 -138.64 -141.59 . . 0 "[ . 1 . 2]"
108 PSI 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 ALA N 152.00 172.00 157.15 149.33 172.05 2.67 10 0 "[ . 1 . 2]"
109 PHI 1 85 ARG C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -68.00 -48.00 -66.51 -68.44 -68.59 1.18 11 0 "[ . 1 . 2]"
110 PSI 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 SER N -47.00 -21.00 -22.65 -31.47 -18.50 2.50 19 0 "[ . 1 . 2]"
111 PHI 1 86 ALA C 1 87 SER N 1 87 SER CA 1 87 SER C -115.00 -75.00 -78.67 -88.11 -73.47 1.53 18 0 "[ . 1 . 2]"
112 PSI 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 HIS N -16.00 10.00 -2.00 4.97 1.64 1.23 10 0 "[ . 1 . 2]"
113 PHI 1 87 SER C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -124.00 -66.00 -99.21 -103.74 -108.30 . . 0 "[ . 1 . 2]"
114 PSI 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 LYS N 129.00 167.00 148.30 143.11 139.64 1.00 10 0 "[ . 1 . 2]"
115 PHI 1 88 HIS C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -138.00 -88.00 -90.53 -104.27 -87.07 0.93 14 0 "[ . 1 . 2]"
116 PSI 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 PRO N 94.00 164.00 126.96 126.19 123.87 . . 0 "[ . 1 . 2]"
117 PSI 1 90 PRO N 1 90 PRO CA 1 90 PRO C 1 91 THR N 142.00 164.00 146.70 140.91 165.34 1.34 3 0 "[ . 1 . 2]"
118 PHI 1 90 PRO C 1 91 THR N 1 91 THR CA 1 91 THR C -109.00 -79.00 -102.65 -93.14 -95.45 1.57 10 0 "[ . 1 . 2]"
119 PSI 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 TYR N 157.00 177.00 157.16 153.81 168.72 3.19 11 0 "[ . 1 . 2]"
120 PHI 1 91 THR C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -71.00 -51.00 -67.93 -69.42 -70.28 1.26 10 0 "[ . 1 . 2]"
121 PSI 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 GLU N -52.00 -32.00 -32.45 -33.17 -36.02 1.56 19 0 "[ . 1 . 2]"
122 PHI 1 92 TYR C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -71.00 -51.00 -56.35 -70.09 -50.81 0.19 13 0 "[ . 1 . 2]"
123 PSI 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 ASN N -50.00 -30.00 -47.42 -45.36 -48.88 1.75 9 0 "[ . 1 . 2]"
124 PHI 1 93 GLU C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -74.70 -54.70 -66.16 -75.63 -54.40 0.93 9 0 "[ . 1 . 2]"
125 PSI 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 LEU N -50.70 -30.70 -40.02 -31.57 -32.97 0.56 7 0 "[ . 1 . 2]"
126 PHI 1 94 ASN C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -78.00 -58.00 -65.17 -66.83 -66.98 0.04 10 0 "[ . 1 . 2]"
127 PSI 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 GLN N -52.00 -32.00 -43.47 -49.31 -38.03 . . 0 "[ . 1 . 2]"
128 PHI 1 95 LEU C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -72.00 -52.00 -57.89 -55.31 -56.21 . . 0 "[ . 1 . 2]"
129 PSI 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 LYS N -55.00 -35.00 -47.80 -52.08 -38.35 . . 0 "[ . 1 . 2]"
130 PHI 1 96 GLN C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -74.00 -54.00 -61.66 -69.36 -55.02 . . 0 "[ . 1 . 2]"
131 PSI 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 SER N -44.00 -24.00 -33.92 -40.96 -43.02 0.82 12 0 "[ . 1 . 2]"
132 PHI 1 97 LYS C 1 98 SER N 1 98 SER CA 1 98 SER C -80.00 -60.00 -73.08 -70.98 -72.65 0.90 12 0 "[ . 1 . 2]"
133 PSI 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 LEU N -50.00 -30.00 -39.58 -44.82 -31.27 . . 0 "[ . 1 . 2]"
134 PHI 1 98 SER C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -73.00 -53.00 -63.28 -64.08 -65.29 0.19 12 0 "[ . 1 . 2]"
135 PSI 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 GLU N -51.00 -31.00 -39.70 -45.33 -34.52 . . 0 "[ . 1 . 2]"
136 PHI 1 99 LEU C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -74.00 -54.00 -64.49 -74.59 -56.40 0.59 12 0 "[ . 1 . 2]"
137 PSI 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 ALA N -50.00 -30.00 -34.12 -29.79 -31.94 1.63 13 0 "[ . 1 . 2]"
138 PHI 1 100 GLU C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -75.00 -55.00 -69.25 -75.82 -61.66 0.82 6 0 "[ . 1 . 2]"
139 PSI 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 MET N -49.00 -29.00 -38.93 -46.25 -31.51 . . 0 "[ . 1 . 2]"
140 PHI 1 101 ALA C 1 102 MET N 1 102 MET CA 1 102 MET C -76.00 -56.00 -67.87 -67.22 -68.81 . . 0 "[ . 1 . 2]"
141 PSI 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 LYS N -53.00 -33.00 -41.30 -46.93 -47.66 1.68 6 0 "[ . 1 . 2]"
142 PHI 1 102 MET C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -73.00 -53.00 -58.64 -59.06 -59.95 . . 0 "[ . 1 . 2]"
143 PSI 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 SER N -56.00 -36.00 -47.76 -56.75 -40.35 0.75 11 0 "[ . 1 . 2]"
144 PHI 1 103 LYS C 1 104 SER N 1 104 SER CA 1 104 SER C -73.00 -53.00 -58.54 -61.86 -50.49 2.51 11 0 "[ . 1 . 2]"
145 PSI 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 HIS N -49.00 -29.00 -44.21 -49.65 -32.61 0.65 11 0 "[ . 1 . 2]"
146 PHI 1 104 SER C 1 105 HIS N 1 105 HIS CA 1 105 HIS C -74.00 -54.00 -63.62 -67.51 -72.77 0.09 5 0 "[ . 1 . 2]"
147 PSI 1 105 HIS N 1 105 HIS CA 1 105 HIS C 1 106 CYS N -55.00 -35.00 -43.41 -43.92 -44.00 . . 0 "[ . 1 . 2]"
148 PHI 1 105 HIS C 1 106 CYS N 1 106 CYS CA 1 106 CYS C -72.00 -52.00 -61.09 -65.07 -58.05 . . 0 "[ . 1 . 2]"
149 PSI 1 106 CYS N 1 106 CYS CA 1 106 CYS C 1 107 LEU N -55.00 -35.00 -49.84 -51.57 -53.74 0.66 5 0 "[ . 1 . 2]"
150 PHI 1 106 CYS C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -74.00 -54.00 -61.94 -60.10 -60.88 . . 0 "[ . 1 . 2]"
151 PSI 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 LYS N -52.00 -26.00 -36.49 -47.00 -25.69 0.31 3 0 "[ . 1 . 2]"
152 PHI 1 107 LEU C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -75.00 -55.00 -67.94 -75.76 -60.09 0.76 10 0 "[ . 1 . 2]"
153 PSI 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 ASN N -47.00 -27.00 -39.59 -42.99 -44.25 0.41 6 0 "[ . 1 . 2]"
154 PHI 1 108 LYS C 1 109 ASN N 1 109 ASN CA 1 109 ASN C -109.00 -79.00 -93.15 -88.29 -88.46 . . 0 "[ . 1 . 2]"
155 PSI 1 109 ASN N 1 109 ASN CA 1 109 ASN C 1 110 GLY N -15.00 5.00 -8.59 -8.37 -11.23 0.85 11 0 "[ . 1 . 2]"
156 PHI 1 113 ASP C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -136.00 -116.00 -129.03 -128.04 -130.51 1.41 12 0 "[ . 1 . 2]"
157 PSI 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 SER N 126.00 148.00 128.57 132.16 130.42 1.07 3 0 "[ . 1 . 2]"
158 PHI 1 114 LEU C 1 115 SER N 1 115 SER CA 1 115 SER C -139.00 -79.00 -119.03 -129.55 -107.10 . . 0 "[ . 1 . 2]"
159 PSI 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 MET N 126.00 164.00 135.64 125.33 152.02 0.67 9 0 "[ . 1 . 2]"
160 PHI 1 115 SER C 1 116 MET N 1 116 MET CA 1 116 MET C -153.00 -95.00 -144.32 -152.31 -152.97 . . 0 "[ . 1 . 2]"
161 PSI 1 116 MET N 1 116 MET CA 1 116 MET C 1 117 PRO N 110.00 168.00 159.85 150.10 166.37 . . 0 "[ . 1 . 2]"
162 PHI 1 122 GLY C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -70.00 -50.00 -68.60 -67.73 -69.22 1.51 10 0 "[ . 1 . 2]"
163 PSI 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 ASP N -44.00 -18.00 -18.94 -30.23 -15.31 2.69 3 0 "[ . 1 . 2]"
164 PHI 1 123 LEU C 1 124 ASP N 1 124 ASP CA 1 124 ASP C -86.00 -54.00 -64.74 -76.25 -54.70 . . 0 "[ . 1 . 2]"
165 PSI 1 124 ASP N 1 124 ASP CA 1 124 ASP C 1 125 ARG N -37.00 7.00 -28.41 -38.67 -12.57 1.67 17 0 "[ . 1 . 2]"
166 PHI 1 126 LEU C 1 127 GLN N 1 127 GLN CA 1 127 GLN C -98.00 -62.00 -97.41 -91.75 -98.10 1.78 5 0 "[ . 1 . 2]"
167 PSI 1 127 GLN N 1 127 GLN CA 1 127 GLN C 1 128 TRP N 109.00 145.00 127.06 119.37 116.09 . . 0 "[ . 1 . 2]"
168 PHI 1 127 GLN C 1 128 TRP N 1 128 TRP CA 1 128 TRP C -66.00 -46.00 -60.94 -67.05 -56.61 1.05 18 0 "[ . 1 . 2]"
169 PSI 1 128 TRP N 1 128 TRP CA 1 128 TRP C 1 129 GLU N -51.00 -27.00 -32.25 -32.89 -34.66 0.03 7 0 "[ . 1 . 2]"
170 PHI 1 128 TRP C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -70.00 -50.00 -54.20 -54.83 -55.79 0.24 6 0 "[ . 1 . 2]"
171 PSI 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 ASN N -51.00 -31.00 -42.70 -50.14 -32.00 . . 0 "[ . 1 . 2]"
172 PHI 1 129 GLU C 1 130 ASN N 1 130 ASN CA 1 130 ASN C -75.00 -55.00 -75.22 -76.27 -76.63 2.88 8 0 "[ . 1 . 2]"
173 PSI 1 130 ASN N 1 130 ASN CA 1 130 ASN C 1 131 VAL N -47.00 -27.00 -45.79 -48.16 -38.98 1.16 18 0 "[ . 1 . 2]"
174 PHI 1 130 ASN C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -75.00 -55.00 -60.36 -61.78 -62.80 . . 0 "[ . 1 . 2]"
175 PSI 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 SER N -55.00 -35.00 -52.28 -53.32 -53.69 0.54 11 0 "[ . 1 . 2]"
176 PHI 1 131 VAL C 1 132 SER N 1 132 SER CA 1 132 SER C -71.00 -51.00 -56.76 -54.85 -55.20 . . 0 "[ . 1 . 2]"
177 PSI 1 132 SER N 1 132 SER CA 1 132 SER C 1 133 ALA N -54.00 -34.00 -45.41 -50.80 -53.00 . . 0 "[ . 1 . 2]"
178 PHI 1 132 SER C 1 133 ALA N 1 133 ALA CA 1 133 ALA C -73.00 -53.00 -63.25 -71.36 -56.66 . . 0 "[ . 1 . 2]"
179 PSI 1 133 ALA N 1 133 ALA CA 1 133 ALA C 1 134 MET N -50.00 -30.00 -38.13 -36.48 -37.15 0.28 15 0 "[ . 1 . 2]"
180 PHI 1 133 ALA C 1 134 MET N 1 134 MET CA 1 134 MET C -76.00 -56.00 -66.33 -76.03 -55.66 0.34 10 0 "[ . 1 . 2]"
181 PSI 1 134 MET N 1 134 MET CA 1 134 MET C 1 135 ILE N -53.00 -33.00 -44.64 -51.56 -37.79 . . 0 "[ . 1 . 2]"
182 PHI 1 134 MET C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -72.00 -52.00 -59.74 -64.21 -54.61 . . 0 "[ . 1 . 2]"
183 PSI 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 GLU N -54.00 -34.00 -46.61 -44.08 -44.20 . . 0 "[ . 1 . 2]"
184 PHI 1 135 ILE C 1 136 GLU N 1 136 GLU CA 1 136 GLU C -69.00 -49.00 -63.09 -69.29 -55.03 0.29 18 0 "[ . 1 . 2]"
185 PSI 1 136 GLU N 1 136 GLU CA 1 136 GLU C 1 137 GLU N -50.00 -30.00 -32.27 -43.47 -28.82 1.18 12 0 "[ . 1 . 2]"
186 PHI 1 136 GLU C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -77.00 -57.00 -72.30 -77.25 -77.35 0.35 1 0 "[ . 1 . 2]"
187 PSI 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 VAL N -53.00 -33.00 -42.91 -33.62 -37.36 0.45 13 0 "[ . 1 . 2]"
188 PHI 1 137 GLU C 1 138 VAL N 1 138 VAL CA 1 138 VAL C -74.00 -54.00 -66.39 -75.16 -56.42 1.16 7 0 "[ . 1 . 2]"
189 PSI 1 138 VAL N 1 138 VAL CA 1 138 VAL C 1 139 PHE N -53.00 -33.00 -42.30 -40.12 -41.41 . . 0 "[ . 1 . 2]"
190 PHI 1 138 VAL C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -96.00 -60.00 -96.62 -96.85 -97.15 2.52 16 0 "[ . 1 . 2]"
191 PSI 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 GLU N -40.00 10.00 8.31 -3.23 13.26 3.26 6 0 "[ . 1 . 2]"
192 PHI 1 139 PHE C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -84.00 -52.00 -57.22 -74.08 -50.19 1.81 6 0 "[ . 1 . 2]"
193 PSI 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 ALA N -40.00 -10.00 -36.88 -16.39 -31.77 1.60 1 0 "[ . 1 . 2]"
194 PHI 1 141 ALA C 1 142 THR N 1 142 THR CA 1 142 THR C -143.00 -103.00 -119.15 -134.67 -143.13 0.71 11 0 "[ . 1 . 2]"
195 PSI 1 142 THR N 1 142 THR CA 1 142 THR C 1 143 ASP N 135.00 175.00 166.09 164.01 162.56 0.72 5 0 "[ . 1 . 2]"
196 PHI 1 142 THR C 1 143 ASP N 1 143 ASP CA 1 143 ASP C -120.00 -90.00 -95.06 -111.84 -88.47 1.53 3 0 "[ . 1 . 2]"
197 PSI 1 143 ASP N 1 143 ASP CA 1 143 ASP C 1 144 ILE N -23.00 15.00 10.67 -0.74 16.94 1.94 7 0 "[ . 1 . 2]"
198 PHI 1 143 ASP C 1 144 ILE N 1 144 ILE CA 1 144 ILE C -109.00 -63.00 -74.69 -65.54 -69.54 0.88 3 0 "[ . 1 . 2]"
199 PSI 1 144 ILE N 1 144 ILE CA 1 144 ILE C 1 145 LYS N 121.00 141.00 125.69 120.23 120.06 0.94 1 0 "[ . 1 . 2]"
200 PHI 1 144 ILE C 1 145 LYS N 1 145 LYS CA 1 145 LYS C -125.00 -79.00 -97.60 -112.24 -85.33 . . 0 "[ . 1 . 2]"
201 PSI 1 145 LYS N 1 145 LYS CA 1 145 LYS C 1 146 ILE N 115.00 135.00 122.65 114.25 113.23 1.77 1 0 "[ . 1 . 2]"
202 PHI 1 145 LYS C 1 146 ILE N 1 146 ILE CA 1 146 ILE C -123.00 -101.00 -106.87 -102.35 -104.45 1.01 2 0 "[ . 1 . 2]"
203 PSI 1 146 ILE N 1 146 ILE CA 1 146 ILE C 1 147 THR N 103.00 147.00 120.10 102.81 137.47 0.19 18 0 "[ . 1 . 2]"
204 PHI 1 146 ILE C 1 147 THR N 1 147 THR CA 1 147 THR C -135.00 -103.00 -114.85 -123.64 -128.97 0.35 1 0 "[ . 1 . 2]"
205 PSI 1 147 THR N 1 147 THR CA 1 147 THR C 1 148 VAL N 115.00 135.00 121.55 114.55 129.20 0.45 17 0 "[ . 1 . 2]"
206 PHI 1 147 THR C 1 148 VAL N 1 148 VAL CA 1 148 VAL C -123.00 -103.00 -104.15 -109.44 -101.51 1.49 9 0 "[ . 1 . 2]"
207 PSI 1 148 VAL N 1 148 VAL CA 1 148 VAL C 1 149 TYR N 114.00 134.00 128.78 121.17 134.62 0.62 5 0 "[ . 1 . 2]"
208 PHI 1 148 VAL C 1 149 TYR N 1 149 TYR CA 1 149 TYR C -119.00 -87.00 -93.35 -89.97 -91.47 0.78 17 0 "[ . 1 . 2]"
209 PSI 1 149 TYR N 1 149 TYR CA 1 149 TYR C 1 150 THR N 122.00 142.00 121.24 121.06 120.89 2.22 17 0 "[ . 1 . 2]"
210 PHI 1 149 TYR C 1 150 THR N 1 150 THR CA 1 150 THR C -139.00 -105.00 -115.80 -138.99 -103.84 1.16 12 0 "[ . 1 . 2]"
211 PSI 1 150 THR N 1 150 THR CA 1 150 THR C 1 151 LEU N 117.00 139.00 120.56 114.56 139.43 2.44 6 0 "[ . 1 . 2]"
stop_
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