NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543102 |
2lsk   |
18434 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lsk
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 157
_TA_constraint_stats_list.Viol_count 171
_TA_constraint_stats_list.Viol_total 13312.26
_TA_constraint_stats_list.Viol_max 23.12
_TA_constraint_stats_list.Viol_rms 1.45
_TA_constraint_stats_list.Viol_average_all_restraints 0.21
_TA_constraint_stats_list.Viol_average_violations_only 3.89
_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 4 ALA C 1 5 GLY N 1 5 GLY CA 1 5 GLY C 63.80 103.80 91.62 93.93 91.10 2.67 13 0 "[ . 1 . 2]"
2 PSI 1 5 GLY N 1 5 GLY CA 1 5 GLY C 1 6 ALA N -35.70 45.20 -13.45 -21.40 20.53 . . 0 "[ . 1 . 2]"
3 PHI 1 8 GLU C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -77.60 -37.60 -62.72 -65.13 -68.89 1.98 10 0 "[ . 1 . 2]"
4 PSI 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 ASN N -65.70 -25.70 -43.54 -57.35 -24.64 1.06 10 0 "[ . 1 . 2]"
5 PHI 1 9 PHE C 1 10 ASN N 1 10 ASN CA 1 10 ASN C -80.30 -40.30 -79.67 -83.89 -71.64 3.59 11 0 "[ . 1 . 2]"
6 PSI 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 ASP N -62.60 -22.60 -28.96 -37.69 -20.21 2.39 15 0 "[ . 1 . 2]"
7 PHI 1 10 ASN C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -86.70 -46.70 -68.97 -75.71 -59.62 . . 0 "[ . 1 . 2]"
8 PSI 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 VAL N -58.90 -18.90 -40.02 -23.30 -35.61 . . 0 "[ . 1 . 2]"
9 PHI 1 11 ASP C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -88.60 -47.30 -62.29 -67.55 -58.51 . . 0 "[ . 1 . 2]"
10 PSI 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 LYS N -58.70 -18.70 -36.13 -45.12 -31.18 . . 0 "[ . 1 . 2]"
11 PHI 1 12 VAL C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -81.20 -41.20 -66.78 -65.77 -66.60 . . 0 "[ . 1 . 2]"
12 PSI 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 THR N -63.90 -23.90 -52.73 -60.68 -45.56 . . 0 "[ . 1 . 2]"
13 PHI 1 13 LYS C 1 14 THR N 1 14 THR CA 1 14 THR C -85.80 -45.80 -69.51 -75.15 -63.19 . . 0 "[ . 1 . 2]"
14 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 LEU N -62.20 -22.20 -36.20 -42.87 -27.98 . . 0 "[ . 1 . 2]"
15 PHI 1 14 THR C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -86.50 -46.50 -74.06 -73.19 -73.87 . . 0 "[ . 1 . 2]"
16 PSI 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 LEU N -90.00 -30.00 -45.71 -41.85 -43.04 . . 0 "[ . 1 . 2]"
17 PHI 1 15 LEU C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -139.00 -51.00 -71.15 -73.09 -73.71 . . 0 "[ . 1 . 2]"
18 PSI 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 ARG N -54.20 38.30 -21.74 -27.37 -12.94 . . 0 "[ . 1 . 2]"
19 PHI 1 16 LEU C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -78.50 -38.50 -64.54 -69.70 -59.00 . . 0 "[ . 1 . 2]"
20 PSI 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 GLU N -52.70 -12.70 -46.01 -39.74 -42.08 0.73 5 0 "[ . 1 . 2]"
21 PHI 1 17 ARG C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -84.50 -44.50 -68.88 -69.15 -70.60 . . 0 "[ . 1 . 2]"
22 PSI 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 TRP N -61.80 -21.80 -42.35 -43.71 -45.12 . . 0 "[ . 1 . 2]"
23 PHI 1 18 GLU C 1 19 TRP N 1 19 TRP CA 1 19 TRP C -88.80 -48.80 -54.23 -50.55 -52.07 0.53 12 0 "[ . 1 . 2]"
24 PSI 1 19 TRP N 1 19 TRP CA 1 19 TRP C 1 20 ILE N -54.30 -13.10 -41.57 -34.69 -36.54 1.68 13 0 "[ . 1 . 2]"
25 PHI 1 19 TRP C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -110.00 -32.00 -82.71 -106.34 -65.59 . . 0 "[ . 1 . 2]"
26 PSI 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 THR N -67.20 -3.40 -29.38 -36.92 -11.90 . . 0 "[ . 1 . 2]"
27 PHI 1 20 ILE C 1 21 THR N 1 21 THR CA 1 21 THR C -123.80 -49.90 -97.10 -94.93 -97.34 . . 0 "[ . 1 . 2]"
28 PSI 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 THR N -52.60 19.20 -26.82 -36.57 -12.81 . . 0 "[ . 1 . 2]"
29 PHI 1 21 THR C 1 22 THR N 1 22 THR CA 1 22 THR C -124.00 -56.00 -104.80 -114.26 -117.44 . . 0 "[ . 1 . 2]"
30 PSI 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 ILE N -48.00 0.00 -28.46 -41.89 -14.19 . . 0 "[ . 1 . 2]"
31 PHI 1 23 ILE C 1 24 SER N 1 24 SER CA 1 24 SER C -115.00 -51.00 -69.94 -66.41 -70.86 5.54 19 1 "[ . 1 . +2]"
32 PSI 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 ASP N -62.00 10.00 1.28 -49.94 26.01 16.01 7 10 "[****. + *1 *** -2]"
33 PHI 1 24 SER C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -175.00 -60.00 -96.94 -45.06 -45.42 23.12 9 10 "[**-*. * +1 *** *2]"
34 PSI 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 PRO N 59.80 -168.00 103.78 76.48 129.23 . . 0 "[ . 1 . 2]"
35 PSI 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 MET N 127.30 169.50 162.52 178.31 177.71 18.23 9 12 "[****. * +- *** * *2]"
36 PHI 1 26 PRO C 1 27 MET N 1 27 MET CA 1 27 MET C -116.40 -56.40 -67.74 -108.64 -44.97 11.43 9 2 "[ . +1 -. 2]"
37 PSI 1 27 MET N 1 27 MET CA 1 27 MET C 1 28 GLU N 94.30 -175.10 164.92 160.77 157.05 . . 0 "[ . 1 . 2]"
38 PHI 1 27 MET C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -78.30 -38.30 -63.56 -73.20 -57.83 . . 0 "[ . 1 . 2]"
39 PSI 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 GLU N -66.10 -2.20 -16.88 -40.63 1.24 3.44 9 0 "[ . 1 . 2]"
40 PHI 1 28 GLU C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -79.70 -39.70 -52.61 -63.08 -45.12 . . 0 "[ . 1 . 2]"
41 PSI 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N -61.50 -21.50 -46.38 -56.72 -34.40 . . 0 "[ . 1 . 2]"
42 PHI 1 29 GLU C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -83.20 -43.20 -59.92 -63.54 -64.99 . . 0 "[ . 1 . 2]"
43 PSI 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 ILE N -61.80 -21.80 -38.48 -46.31 -25.62 . . 0 "[ . 1 . 2]"
44 PHI 1 30 ASP C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -87.80 -43.30 -66.28 -68.53 -72.22 . . 0 "[ . 1 . 2]"
45 PSI 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 LEU N -66.50 -23.70 -48.16 -52.94 -40.77 . . 0 "[ . 1 . 2]"
46 PHI 1 31 ILE C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -82.20 -42.20 -65.36 -62.86 -63.66 . . 0 "[ . 1 . 2]"
47 PSI 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 GLN N -60.80 -20.80 -24.07 -33.18 -18.88 1.92 6 0 "[ . 1 . 2]"
48 PHI 1 32 LEU C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -85.60 -45.60 -63.52 -70.49 -58.73 . . 0 "[ . 1 . 2]"
49 PSI 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 VAL N -90.00 -30.00 -42.31 -43.94 -44.68 . . 0 "[ . 1 . 2]"
50 PHI 1 33 GLN C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -83.30 -43.30 -73.62 -80.81 -66.53 . . 0 "[ . 1 . 2]"
51 PSI 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 VAL N -61.40 -21.40 -31.12 -32.76 -33.38 3.45 18 0 "[ . 1 . 2]"
52 PHI 1 34 VAL C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -81.50 -41.50 -59.59 -59.26 -59.58 . . 0 "[ . 1 . 2]"
53 PSI 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 LYS N -61.90 -21.90 -43.42 -49.86 -36.28 . . 0 "[ . 1 . 2]"
54 PHI 1 35 VAL C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -79.70 -39.70 -65.18 -70.86 -59.59 . . 0 "[ . 1 . 2]"
55 PSI 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 TYR N -62.90 -22.90 -40.06 -36.37 -39.86 . . 0 "[ . 1 . 2]"
56 PHI 1 36 LYS C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -81.40 -41.40 -62.59 -74.16 -52.19 . . 0 "[ . 1 . 2]"
57 PSI 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 CYS N -67.30 -27.30 -39.48 -31.69 -35.28 . . 0 "[ . 1 . 2]"
58 PHI 1 37 TYR C 1 38 CYS N 1 38 CYS CA 1 38 CYS C -84.20 -44.20 -61.11 -64.15 -64.50 . . 0 "[ . 1 . 2]"
59 PSI 1 38 CYS N 1 38 CYS CA 1 38 CYS C 1 39 THR N -62.00 -22.00 -46.16 -49.47 -41.94 . . 0 "[ . 1 . 2]"
60 PHI 1 38 CYS C 1 39 THR N 1 39 THR CA 1 39 THR C -86.50 -46.50 -66.21 -64.97 -65.49 . . 0 "[ . 1 . 2]"
61 PSI 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 ASP N -59.00 -19.00 -43.85 -39.52 -40.58 . . 0 "[ . 1 . 2]"
62 PHI 1 39 THR C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -82.90 -42.90 -63.17 -70.90 -55.47 . . 0 "[ . 1 . 2]"
63 PSI 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 LEU N -63.90 -23.90 -43.57 -44.06 -48.40 . . 0 "[ . 1 . 2]"
64 PHI 1 40 ASP C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -85.00 -45.00 -72.40 -81.27 -65.86 . . 0 "[ . 1 . 2]"
65 PSI 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ILE N -63.00 -23.00 -22.47 -22.22 -22.47 4.98 3 0 "[ . 1 . 2]"
66 PHI 1 41 LEU C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -83.60 -43.60 -67.08 -68.28 -69.21 . . 0 "[ . 1 . 2]"
67 PSI 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 GLU N -57.70 -17.70 -42.44 -49.37 -33.58 . . 0 "[ . 1 . 2]"
68 PHI 1 42 ILE C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -84.00 -44.00 -68.11 -74.76 -63.10 . . 0 "[ . 1 . 2]"
69 PSI 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 GLU N -51.60 -11.60 -46.49 -53.82 -31.44 2.22 19 0 "[ . 1 . 2]"
70 PHI 1 43 GLU C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -113.20 -73.20 -87.06 -80.73 -84.26 . . 0 "[ . 1 . 2]"
71 PSI 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 LYS N -13.30 26.70 -4.19 -9.10 -10.79 0.67 1 0 "[ . 1 . 2]"
72 PHI 1 44 GLU C 1 45 LYS N 1 45 LYS CA 1 45 LYS C 39.80 79.80 62.54 55.31 67.30 . . 0 "[ . 1 . 2]"
73 PSI 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 ASP N 12.90 52.90 34.37 34.68 32.71 . . 0 "[ . 1 . 2]"
74 PHI 1 46 ASP C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -100.80 -36.10 -76.56 -73.41 -74.40 . . 0 "[ . 1 . 2]"
75 PSI 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 GLU N -54.70 5.10 -9.77 -20.11 -0.04 . . 0 "[ . 1 . 2]"
76 PHI 1 47 LEU C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -84.70 -44.70 -61.93 -71.90 -53.49 . . 0 "[ . 1 . 2]"
77 PSI 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 LYS N -64.20 -24.20 -41.56 -45.89 -49.58 . . 0 "[ . 1 . 2]"
78 PHI 1 48 GLU C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -82.30 -42.30 -76.54 -83.88 -84.05 1.75 1 0 "[ . 1 . 2]"
79 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LEU N -59.10 -19.10 -34.48 -26.61 -28.14 . . 0 "[ . 1 . 2]"
80 PHI 1 49 LYS C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -81.40 -41.40 -67.88 -68.25 -68.48 . . 0 "[ . 1 . 2]"
81 PSI 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 ASP N -61.00 -12.70 -40.75 -48.38 -30.22 . . 0 "[ . 1 . 2]"
82 PHI 1 50 LEU C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -84.20 -44.20 -57.43 -63.73 -50.71 . . 0 "[ . 1 . 2]"
83 PSI 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 LEU N -68.30 -28.30 -40.31 -30.55 -34.74 . . 0 "[ . 1 . 2]"
84 PHI 1 51 ASP C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -81.10 -41.10 -59.40 -66.54 -55.12 . . 0 "[ . 1 . 2]"
85 PSI 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 VAL N -60.90 -20.90 -53.92 -50.66 -50.89 . . 0 "[ . 1 . 2]"
86 PHI 1 52 LEU C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -84.70 -44.70 -59.40 -60.55 -61.73 . . 0 "[ . 1 . 2]"
87 PSI 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 ILE N -62.20 -22.20 -35.22 -35.07 -37.50 . . 0 "[ . 1 . 2]"
88 PHI 1 53 VAL C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -84.20 -44.20 -67.95 -73.71 -61.94 . . 0 "[ . 1 . 2]"
89 PSI 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 LYS N -63.60 -23.60 -50.22 -63.53 -40.37 . . 0 "[ . 1 . 2]"
90 PHI 1 54 ILE C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -83.30 -43.30 -59.81 -65.29 -71.07 . . 0 "[ . 1 . 2]"
91 PSI 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 TYR N -62.10 -22.10 -42.71 -56.33 -32.03 . . 0 "[ . 1 . 2]"
92 PHI 1 55 LYS C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -86.80 -46.80 -67.83 -64.00 -66.11 . . 0 "[ . 1 . 2]"
93 PSI 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 MET N -65.80 -25.80 -51.29 -66.00 -35.14 0.20 17 0 "[ . 1 . 2]"
94 PHI 1 56 TYR C 1 57 MET N 1 57 MET CA 1 57 MET C -80.50 -40.50 -63.36 -68.15 -70.41 . . 0 "[ . 1 . 2]"
95 PSI 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 LYS N -61.10 -21.10 -33.79 -43.49 -20.83 0.27 15 0 "[ . 1 . 2]"
96 PHI 1 57 MET C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -83.00 -43.00 -64.35 -79.09 -57.89 . . 0 "[ . 1 . 2]"
97 PSI 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 ARG N -65.20 -25.20 -51.10 -58.89 -38.38 . . 0 "[ . 1 . 2]"
98 PHI 1 58 LYS C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -82.20 -42.20 -58.88 -69.69 -52.74 . . 0 "[ . 1 . 2]"
99 PSI 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 LEU N -56.40 -16.40 -46.51 -47.48 -49.78 . . 0 "[ . 1 . 2]"
100 PHI 1 59 ARG C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -90.30 -48.70 -67.37 -70.99 -73.34 . . 0 "[ . 1 . 2]"
101 PSI 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 MET N -65.10 -9.70 -43.26 -62.64 -32.32 . . 0 "[ . 1 . 2]"
102 PHI 1 60 LEU C 1 61 MET N 1 61 MET CA 1 61 MET C -88.60 -48.00 -69.22 -75.80 -61.05 . . 0 "[ . 1 . 2]"
103 PSI 1 61 MET N 1 61 MET CA 1 61 MET C 1 62 GLN N -59.90 -19.90 -40.32 -54.94 -23.59 . . 0 "[ . 1 . 2]"
104 PHI 1 61 MET C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -94.30 -46.80 -66.47 -74.01 -77.17 . . 0 "[ . 1 . 2]"
105 PSI 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 GLN N -65.30 18.90 -33.18 -27.14 -28.51 . . 0 "[ . 1 . 2]"
106 PHI 1 62 GLN C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -112.30 -44.50 -80.53 -96.01 -64.28 . . 0 "[ . 1 . 2]"
107 PSI 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 SER N -40.80 11.00 -29.97 -40.17 -11.82 . . 0 "[ . 1 . 2]"
108 PHI 1 68 VAL C 1 69 TRP N 1 69 TRP CA 1 69 TRP C -81.20 -41.20 -67.58 -68.46 -72.88 2.35 5 0 "[ . 1 . 2]"
109 PSI 1 69 TRP N 1 69 TRP CA 1 69 TRP C 1 70 ASN N -60.40 -20.40 -26.61 -19.92 -26.35 5.24 17 1 "[ . 1 . + 2]"
110 PHI 1 69 TRP C 1 70 ASN N 1 70 ASN CA 1 70 ASN C -81.60 -41.60 -68.08 -81.52 -55.43 . . 0 "[ . 1 . 2]"
111 PSI 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 MET N -63.40 -23.40 -38.86 -32.31 -37.50 0.52 14 0 "[ . 1 . 2]"
112 PHI 1 70 ASN C 1 71 MET N 1 71 MET CA 1 71 MET C -81.20 -41.20 -70.08 -84.15 -59.21 2.95 16 0 "[ . 1 . 2]"
113 PSI 1 71 MET N 1 71 MET CA 1 71 MET C 1 72 ALA N -61.00 -21.00 -41.32 -52.38 -30.17 . . 0 "[ . 1 . 2]"
114 PHI 1 71 MET C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -82.90 -42.90 -65.03 -62.41 -63.77 . . 0 "[ . 1 . 2]"
115 PSI 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 PHE N -66.90 -26.90 -34.38 -31.30 -31.68 0.32 15 0 "[ . 1 . 2]"
116 PHI 1 72 ALA C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -82.50 -42.50 -65.58 -59.92 -60.80 . . 0 "[ . 1 . 2]"
117 PSI 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 ASP N -67.20 -26.00 -50.11 -55.13 -43.78 . . 0 "[ . 1 . 2]"
118 PHI 1 73 PHE C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -79.90 -39.90 -62.33 -62.03 -64.70 . . 0 "[ . 1 . 2]"
119 PSI 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 PHE N -62.50 -22.50 -44.11 -51.56 -35.38 . . 0 "[ . 1 . 2]"
120 PHI 1 74 ASP C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -85.50 -45.50 -69.74 -77.30 -59.37 . . 0 "[ . 1 . 2]"
121 PSI 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 ILE N -61.00 -21.00 -46.66 -51.83 -39.43 . . 0 "[ . 1 . 2]"
122 PHI 1 75 PHE C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -88.70 -48.70 -63.36 -66.69 -68.04 . . 0 "[ . 1 . 2]"
123 PSI 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 LEU N -59.00 -19.00 -46.44 -45.61 -47.09 . . 0 "[ . 1 . 2]"
124 PHI 1 76 ILE C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -84.20 -44.20 -64.33 -68.40 -60.84 . . 0 "[ . 1 . 2]"
125 PSI 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 ASP N -63.30 -23.30 -51.71 -56.46 -59.76 . . 0 "[ . 1 . 2]"
126 PHI 1 77 LEU C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -82.30 -42.30 -50.62 -57.29 -45.29 . . 0 "[ . 1 . 2]"
127 PSI 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 ASN N -61.00 -21.00 -48.49 -52.79 -40.48 . . 0 "[ . 1 . 2]"
128 PHI 1 78 ASP C 1 79 ASN N 1 79 ASN CA 1 79 ASN C -81.90 -41.90 -64.80 -63.84 -64.68 . . 0 "[ . 1 . 2]"
129 PSI 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 VAL N -64.70 -24.70 -40.95 -39.84 -40.52 . . 0 "[ . 1 . 2]"
130 PHI 1 79 ASN C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -82.20 -42.20 -61.20 -62.03 -62.31 . . 0 "[ . 1 . 2]"
131 PSI 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 GLN N -63.10 -23.10 -40.32 -45.08 -32.36 . . 0 "[ . 1 . 2]"
132 PHI 1 80 VAL C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -80.30 -40.30 -70.95 -70.54 -72.07 . . 0 "[ . 1 . 2]"
133 PSI 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 VAL N -62.90 -22.90 -41.09 -48.91 -32.37 . . 0 "[ . 1 . 2]"
134 PHI 1 81 GLN C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -85.40 -45.40 -71.79 -72.64 -72.72 . . 0 "[ . 1 . 2]"
135 PSI 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 VAL N -66.90 -26.90 -38.30 -38.82 -39.38 . . 0 "[ . 1 . 2]"
136 PHI 1 82 VAL C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -82.80 -42.80 -73.97 -77.90 -70.19 . . 0 "[ . 1 . 2]"
137 PSI 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 LEU N -58.50 -18.50 -28.82 -29.29 -30.16 . . 0 "[ . 1 . 2]"
138 PHI 1 83 VAL C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -80.50 -40.50 -72.48 -74.82 -75.76 . . 0 "[ . 1 . 2]"
139 PSI 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLN N -66.10 -26.10 -31.04 -38.45 -25.32 0.78 1 0 "[ . 1 . 2]"
140 PHI 1 84 LEU C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -84.50 -44.50 -73.52 -79.61 -67.24 . . 0 "[ . 1 . 2]"
141 PSI 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 GLN N -59.80 -17.30 -29.57 -33.29 -34.76 . . 0 "[ . 1 . 2]"
142 PHI 1 85 GLN C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -85.70 -45.70 -68.42 -75.15 -63.45 . . 0 "[ . 1 . 2]"
143 PSI 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 THR N -55.50 -7.80 -46.45 -53.24 -37.54 . . 0 "[ . 1 . 2]"
144 PHI 1 86 GLN C 1 87 THR N 1 87 THR CA 1 87 THR C -91.70 -51.70 -83.73 -85.93 -86.39 . . 0 "[ . 1 . 2]"
145 PSI 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 TYR N -61.20 -4.70 -52.28 -43.40 -48.39 . . 0 "[ . 1 . 2]"
146 PHI 1 87 THR C 1 88 TYR N 1 88 TYR CA 1 88 TYR C -109.40 -69.40 -104.66 -111.67 -95.04 2.27 13 0 "[ . 1 . 2]"
147 PSI 1 88 TYR N 1 88 TYR CA 1 88 TYR C 1 89 GLY N -90.00 0.00 -36.26 -62.38 -3.96 . . 0 "[ . 1 . 2]"
148 PHI 1 88 TYR C 1 89 GLY N 1 89 GLY CA 1 89 GLY C 51.80 119.50 93.07 66.00 120.94 1.44 3 0 "[ . 1 . 2]"
149 PSI 1 89 GLY N 1 89 GLY CA 1 89 GLY C 1 90 SER N -13.60 42.00 16.52 7.55 3.53 . . 0 "[ . 1 . 2]"
150 PHI 1 89 GLY C 1 90 SER N 1 90 SER CA 1 90 SER C -124.90 -63.60 -125.79 -126.33 -126.73 3.42 8 0 "[ . 1 . 2]"
151 PSI 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 THR N 90.50 -149.20 159.31 154.40 149.10 . . 0 "[ . 1 . 2]"
152 PHI 1 90 SER C 1 91 THR N 1 91 THR CA 1 91 THR C -148.60 -70.90 -115.46 -138.82 -81.08 . . 0 "[ . 1 . 2]"
153 PSI 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 LEU N 131.20 171.20 144.04 130.80 170.03 0.40 2 0 "[ . 1 . 2]"
154 PHI 1 91 THR C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -133.20 -55.60 -86.20 -122.74 -73.09 . . 0 "[ . 1 . 2]"
155 PSI 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 LYS N 92.00 171.50 129.41 120.48 119.17 . . 0 "[ . 1 . 2]"
156 PHI 1 92 LEU C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -130.70 -36.20 -112.54 -130.02 -85.87 . . 0 "[ . 1 . 2]"
157 PSI 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 VAL N 99.00 166.90 102.95 97.45 96.50 4.21 1 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 129
_TA_constraint_stats_list.Viol_count 8
_TA_constraint_stats_list.Viol_total 3662.03
_TA_constraint_stats_list.Viol_max 79.52
_TA_constraint_stats_list.Viol_rms 2.02
_TA_constraint_stats_list.Viol_average_all_restraints 0.07
_TA_constraint_stats_list.Viol_average_violations_only 22.89
_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 CHI1 2 1 GLN N 2 1 GLN CA 2 1 GLN CB 2 1 GLN CG -90.00 -150.00 -7.14 -58.28 -60.72 . . 0 "[ . 1 . 2]"
2 CHI1 2 1 GLN N 2 1 GLN CA 2 1 GLN CB 2 1 GLN CG 30.00 -30.00 -7.14 -58.28 -60.72 . . 0 "[ . 1 . 2]"
3 CHI1 2 1 GLN N 2 1 GLN CA 2 1 GLN CB 2 1 GLN CG 150.00 90.00 -7.14 -58.28 -60.72 . . 0 "[ . 1 . 2]"
4 CHI2 2 1 GLN CA 2 1 GLN CB 2 1 GLN CG 2 1 GLN CD -90.00 -150.00 -161.07 179.46 177.98 . . 0 "[ . 1 . 2]"
5 CHI2 2 1 GLN CA 2 1 GLN CB 2 1 GLN CG 2 1 GLN CD 30.00 -30.00 -161.07 179.46 177.98 . . 0 "[ . 1 . 2]"
6 CHI2 2 1 GLN CA 2 1 GLN CB 2 1 GLN CG 2 1 GLN CD 150.00 90.00 -161.07 179.46 177.98 . . 0 "[ . 1 . 2]"
7 CHI1 2 2 SER N 2 2 SER CA 2 2 SER CB 2 2 SER OG -90.00 -150.00 -88.10 -60.71 -171.03 . . 0 "[ . 1 . 2]"
8 CHI1 2 2 SER N 2 2 SER CA 2 2 SER CB 2 2 SER OG 30.00 -30.00 -88.10 -60.71 -171.03 . . 0 "[ . 1 . 2]"
9 CHI1 2 2 SER N 2 2 SER CA 2 2 SER CB 2 2 SER OG 150.00 90.00 -88.10 -60.71 -171.03 . . 0 "[ . 1 . 2]"
10 CHI1 2 3 THR N 2 3 THR CA 2 3 THR CB 2 3 THR OG1 -90.00 -150.00 43.38 -179.12 58.76 . . 0 "[ . 1 . 2]"
11 CHI1 2 3 THR N 2 3 THR CA 2 3 THR CB 2 3 THR OG1 30.00 -30.00 43.38 -179.12 58.76 . . 0 "[ . 1 . 2]"
12 CHI1 2 3 THR N 2 3 THR CA 2 3 THR CB 2 3 THR OG1 150.00 90.00 43.38 -179.12 58.76 . . 0 "[ . 1 . 2]"
13 CHI1 2 5 THR N 2 5 THR CA 2 5 THR CB 2 5 THR OG1 -90.00 -150.00 48.64 50.34 49.37 . . 0 "[ . 1 . 2]"
14 CHI1 2 5 THR N 2 5 THR CA 2 5 THR CB 2 5 THR OG1 30.00 -30.00 48.64 50.34 49.37 9.68 9 1 "[ . +1 . 2]"
15 CHI1 2 5 THR N 2 5 THR CA 2 5 THR CB 2 5 THR OG1 150.00 90.00 48.64 50.34 49.37 . . 0 "[ . 1 . 2]"
16 CHI1 2 6 GLU N 2 6 GLU CA 2 6 GLU CB 2 6 GLU CG -90.00 -150.00 13.20 -68.18 62.76 . . 0 "[ . 1 . 2]"
17 CHI1 2 6 GLU N 2 6 GLU CA 2 6 GLU CB 2 6 GLU CG 30.00 -30.00 13.20 -68.18 62.76 . . 0 "[ . 1 . 2]"
18 CHI1 2 6 GLU N 2 6 GLU CA 2 6 GLU CB 2 6 GLU CG 150.00 90.00 13.20 -68.18 62.76 . . 0 "[ . 1 . 2]"
19 CHI2 2 6 GLU CA 2 6 GLU CB 2 6 GLU CG 2 6 GLU CD -90.00 -150.00 -174.63 -79.94 -166.34 . . 0 "[ . 1 . 2]"
20 CHI2 2 6 GLU CA 2 6 GLU CB 2 6 GLU CG 2 6 GLU CD 30.00 -30.00 -174.63 -79.94 -166.34 . . 0 "[ . 1 . 2]"
21 CHI2 2 6 GLU CA 2 6 GLU CB 2 6 GLU CG 2 6 GLU CD 150.00 90.00 -174.63 -79.94 -166.34 . . 0 "[ . 1 . 2]"
22 CHI1 2 8 PHE N 2 8 PHE CA 2 8 PHE CB 2 8 PHE CG -90.00 -150.00 177.87 -177.20 -178.68 . . 0 "[ . 1 . 2]"
23 CHI1 2 8 PHE N 2 8 PHE CA 2 8 PHE CB 2 8 PHE CG 30.00 -30.00 177.87 -177.20 -178.68 . . 0 "[ . 1 . 2]"
24 CHI1 2 8 PHE N 2 8 PHE CA 2 8 PHE CB 2 8 PHE CG 150.00 90.00 177.87 -177.20 -178.68 . . 0 "[ . 1 . 2]"
25 CHI1 2 9 PHE N 2 9 PHE CA 2 9 PHE CB 2 9 PHE CG -90.00 -150.00 -159.85 -163.24 -164.39 . . 0 "[ . 1 . 2]"
26 CHI1 2 9 PHE N 2 9 PHE CA 2 9 PHE CB 2 9 PHE CG 30.00 -30.00 -159.85 -163.24 -164.39 . . 0 "[ . 1 . 2]"
27 CHI1 2 9 PHE N 2 9 PHE CA 2 9 PHE CB 2 9 PHE CG 150.00 90.00 -159.85 -163.24 -164.39 . . 0 "[ . 1 . 2]"
28 CHI1 2 10 LYS N 2 10 LYS CA 2 10 LYS CB 2 10 LYS CG -90.00 -150.00 -173.29 178.48 176.43 . . 0 "[ . 1 . 2]"
29 CHI1 2 10 LYS N 2 10 LYS CA 2 10 LYS CB 2 10 LYS CG 30.00 -30.00 -173.29 178.48 176.43 . . 0 "[ . 1 . 2]"
30 CHI1 2 10 LYS N 2 10 LYS CA 2 10 LYS CB 2 10 LYS CG 150.00 90.00 -173.29 178.48 176.43 . . 0 "[ . 1 . 2]"
31 CHI2 2 10 LYS CA 2 10 LYS CB 2 10 LYS CG 2 10 LYS CD -90.00 -150.00 167.75 62.87 -68.97 . . 0 "[ . 1 . 2]"
32 CHI2 2 10 LYS CA 2 10 LYS CB 2 10 LYS CG 2 10 LYS CD 30.00 -30.00 167.75 62.87 -68.97 . . 0 "[ . 1 . 2]"
33 CHI2 2 10 LYS CA 2 10 LYS CB 2 10 LYS CG 2 10 LYS CD 150.00 90.00 167.75 62.87 -68.97 . . 0 "[ . 1 . 2]"
34 CHI3 2 10 LYS CB 2 10 LYS CG 2 10 LYS CD 2 10 LYS CE -90.00 -150.00 -95.50 57.56 -58.35 . . 0 "[ . 1 . 2]"
35 CHI3 2 10 LYS CB 2 10 LYS CG 2 10 LYS CD 2 10 LYS CE 30.00 -30.00 -95.50 57.56 -58.35 . . 0 "[ . 1 . 2]"
36 CHI3 2 10 LYS CB 2 10 LYS CG 2 10 LYS CD 2 10 LYS CE 150.00 90.00 -95.50 57.56 -58.35 . . 0 "[ . 1 . 2]"
37 CHI4 2 10 LYS CG 2 10 LYS CD 2 10 LYS CE 2 10 LYS NZ -90.00 -150.00 129.88 64.16 63.89 . . 0 "[ . 1 . 2]"
38 CHI4 2 10 LYS CG 2 10 LYS CD 2 10 LYS CE 2 10 LYS NZ 30.00 -30.00 129.88 64.16 63.89 . . 0 "[ . 1 . 2]"
39 CHI4 2 10 LYS CG 2 10 LYS CD 2 10 LYS CE 2 10 LYS NZ 150.00 90.00 129.88 64.16 63.89 . . 0 "[ . 1 . 2]"
40 CHI1 2 11 GLN N 2 11 GLN CA 2 11 GLN CB 2 11 GLN CG -90.00 -150.00 -133.47 177.77 -55.71 . . 0 "[ . 1 . 2]"
41 CHI1 2 11 GLN N 2 11 GLN CA 2 11 GLN CB 2 11 GLN CG 30.00 -30.00 -133.47 177.77 -55.71 . . 0 "[ . 1 . 2]"
42 CHI1 2 11 GLN N 2 11 GLN CA 2 11 GLN CB 2 11 GLN CG 150.00 90.00 -133.47 177.77 -55.71 . . 0 "[ . 1 . 2]"
43 CHI2 2 11 GLN CA 2 11 GLN CB 2 11 GLN CG 2 11 GLN CD -90.00 -150.00 -97.46 176.60 69.21 . . 0 "[ . 1 . 2]"
44 CHI2 2 11 GLN CA 2 11 GLN CB 2 11 GLN CG 2 11 GLN CD 30.00 -30.00 -97.46 176.60 69.21 . . 0 "[ . 1 . 2]"
45 CHI2 2 11 GLN CA 2 11 GLN CB 2 11 GLN CG 2 11 GLN CD 150.00 90.00 -97.46 176.60 69.21 . . 0 "[ . 1 . 2]"
46 CHI1 2 12 LYS N 2 12 LYS CA 2 12 LYS CB 2 12 LYS CG -90.00 -150.00 -73.99 -151.68 -49.65 13.32 19 1 "[ . 1 . +2]"
47 CHI1 2 12 LYS N 2 12 LYS CA 2 12 LYS CB 2 12 LYS CG 30.00 -30.00 -73.99 -151.68 -49.65 . . 0 "[ . 1 . 2]"
48 CHI1 2 12 LYS N 2 12 LYS CA 2 12 LYS CB 2 12 LYS CG 150.00 90.00 -73.99 -151.68 -49.65 . . 0 "[ . 1 . 2]"
49 CHI2 2 12 LYS CA 2 12 LYS CB 2 12 LYS CG 2 12 LYS CD -90.00 -150.00 1.89 -63.52 73.25 . . 0 "[ . 1 . 2]"
50 CHI2 2 12 LYS CA 2 12 LYS CB 2 12 LYS CG 2 12 LYS CD 30.00 -30.00 1.89 -63.52 73.25 . . 0 "[ . 1 . 2]"
51 CHI2 2 12 LYS CA 2 12 LYS CB 2 12 LYS CG 2 12 LYS CD 150.00 90.00 1.89 -63.52 73.25 . . 0 "[ . 1 . 2]"
52 CHI3 2 12 LYS CB 2 12 LYS CG 2 12 LYS CD 2 12 LYS CE -90.00 -150.00 -138.37 -91.36 -164.81 1.36 17 0 "[ . 1 . 2]"
53 CHI3 2 12 LYS CB 2 12 LYS CG 2 12 LYS CD 2 12 LYS CE 30.00 -30.00 -138.37 -91.36 -164.81 . . 0 "[ . 1 . 2]"
54 CHI3 2 12 LYS CB 2 12 LYS CG 2 12 LYS CD 2 12 LYS CE 150.00 90.00 -138.37 -91.36 -164.81 . . 0 "[ . 1 . 2]"
55 CHI4 2 12 LYS CG 2 12 LYS CD 2 12 LYS CE 2 12 LYS NZ -90.00 -150.00 64.59 53.20 -52.07 . . 0 "[ . 1 . 2]"
56 CHI4 2 12 LYS CG 2 12 LYS CD 2 12 LYS CE 2 12 LYS NZ 30.00 -30.00 64.59 53.20 -52.07 . . 0 "[ . 1 . 2]"
57 CHI4 2 12 LYS CG 2 12 LYS CD 2 12 LYS CE 2 12 LYS NZ 150.00 90.00 64.59 53.20 -52.07 . . 0 "[ . 1 . 2]"
58 CHI1 2 13 SER N 2 13 SER CA 2 13 SER CB 2 13 SER OG -90.00 -150.00 -172.46 176.25 -159.72 . . 0 "[ . 1 . 2]"
59 CHI1 2 13 SER N 2 13 SER CA 2 13 SER CB 2 13 SER OG 30.00 -30.00 -172.46 176.25 -159.72 . . 0 "[ . 1 . 2]"
60 CHI1 2 13 SER N 2 13 SER CA 2 13 SER CB 2 13 SER OG 150.00 90.00 -172.46 176.25 -159.72 . . 0 "[ . 1 . 2]"
61 CHI1 2 14 LEU N 2 14 LEU CA 2 14 LEU CB 2 14 LEU CG -90.00 -150.00 -155.43 179.68 -64.96 . . 0 "[ . 1 . 2]"
62 CHI1 2 14 LEU N 2 14 LEU CA 2 14 LEU CB 2 14 LEU CG 30.00 -30.00 -155.43 179.68 -64.96 . . 0 "[ . 1 . 2]"
63 CHI1 2 14 LEU N 2 14 LEU CA 2 14 LEU CB 2 14 LEU CG 150.00 90.00 -155.43 179.68 -64.96 . . 0 "[ . 1 . 2]"
64 CHI2 2 14 LEU CA 2 14 LEU CB 2 14 LEU CG 2 14 LEU CD1 -90.00 -150.00 57.08 62.08 61.13 . . 0 "[ . 1 . 2]"
65 CHI2 2 14 LEU CA 2 14 LEU CB 2 14 LEU CG 2 14 LEU CD1 30.00 -30.00 57.08 62.08 61.13 . . 0 "[ . 1 . 2]"
66 CHI2 2 14 LEU CA 2 14 LEU CB 2 14 LEU CG 2 14 LEU CD1 150.00 90.00 57.08 62.08 61.13 . . 0 "[ . 1 . 2]"
67 CHI1 2 15 LEU N 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG -90.00 -150.00 -133.49 -179.14 45.62 13.82 10 1 "[ . + . 2]"
68 CHI1 2 15 LEU N 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 30.00 -30.00 -133.49 -179.14 45.62 . . 0 "[ . 1 . 2]"
69 CHI1 2 15 LEU N 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 150.00 90.00 -133.49 -179.14 45.62 . . 0 "[ . 1 . 2]"
70 CHI2 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 2 15 LEU CD1 -90.00 -150.00 90.02 56.15 -72.69 . . 0 "[ . 1 . 2]"
71 CHI2 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 2 15 LEU CD1 30.00 -30.00 90.02 56.15 -72.69 . . 0 "[ . 1 . 2]"
72 CHI2 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 2 15 LEU CD1 150.00 90.00 90.02 56.15 -72.69 . . 0 "[ . 1 . 2]"
73 CHI1 2 16 LEU N 2 16 LEU CA 2 16 LEU CB 2 16 LEU CG -90.00 -150.00 25.85 -79.07 75.62 . . 0 "[ . 1 . 2]"
74 CHI1 2 16 LEU N 2 16 LEU CA 2 16 LEU CB 2 16 LEU CG 30.00 -30.00 25.85 -79.07 75.62 . . 0 "[ . 1 . 2]"
75 CHI1 2 16 LEU N 2 16 LEU CA 2 16 LEU CB 2 16 LEU CG 150.00 90.00 25.85 -79.07 75.62 . . 0 "[ . 1 . 2]"
76 CHI2 2 16 LEU CA 2 16 LEU CB 2 16 LEU CG 2 16 LEU CD1 -90.00 -150.00 -174.30 155.65 -47.46 . . 0 "[ . 1 . 2]"
77 CHI2 2 16 LEU CA 2 16 LEU CB 2 16 LEU CG 2 16 LEU CD1 30.00 -30.00 -174.30 155.65 -47.46 . . 0 "[ . 1 . 2]"
78 CHI2 2 16 LEU CA 2 16 LEU CB 2 16 LEU CG 2 16 LEU CD1 150.00 90.00 -174.30 155.65 -47.46 . . 0 "[ . 1 . 2]"
79 CHI1 1 13 LYS N 1 13 LYS CA 1 13 LYS CB 1 13 LYS CG 150.00 -30.00 -109.80 -62.32 -150.10 . . 0 "[ . 1 . 2]"
80 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 150.00 -30.00 -53.40 -50.11 -51.56 . . 0 "[ . 1 . 2]"
81 CHI1 1 15 LEU N 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG 150.00 -30.00 -163.46 -169.50 -158.72 . . 0 "[ . 1 . 2]"
82 CHI1 1 16 LEU N 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG 150.00 -30.00 -58.37 -58.90 -59.28 . . 0 "[ . 1 . 2]"
83 CHI1 1 17 ARG N 1 17 ARG CA 1 17 ARG CB 1 17 ARG CG 150.00 -30.00 -167.63 -175.89 -161.78 . . 0 "[ . 1 . 2]"
84 CHI1 1 18 GLU N 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 150.00 -30.00 -59.00 -61.41 -62.31 . . 0 "[ . 1 . 2]"
85 CHI1 1 19 TRP N 1 19 TRP CA 1 19 TRP CB 1 19 TRP CG 120.00 180.00 157.60 161.61 161.43 . . 0 "[ . 1 . 2]"
86 CHI1 1 29 GLU N 1 29 GLU CA 1 29 GLU CB 1 29 GLU CG 150.00 -30.00 -60.88 -57.17 -58.98 79.52 12 1 "[ . 1 + . 2]"
87 CHI1 1 30 ASP N 1 30 ASP CA 1 30 ASP CB 1 30 ASP CG -90.00 -30.00 -65.10 -63.73 -64.44 . . 0 "[ . 1 . 2]"
88 CHI1 1 31 ILE N 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 150.00 -30.00 -50.87 -49.10 -50.00 . . 0 "[ . 1 . 2]"
89 CHI1 1 32 LEU N 1 32 LEU CA 1 32 LEU CB 1 32 LEU CG 150.00 -30.00 -87.61 -91.82 -82.45 . . 0 "[ . 1 . 2]"
90 CHI1 1 33 GLN N 1 33 GLN CA 1 33 GLN CB 1 33 GLN CG 150.00 -30.00 -59.49 -60.39 -63.44 . . 0 "[ . 1 . 2]"
91 CHI1 1 34 VAL N 1 34 VAL CA 1 34 VAL CB 1 34 VAL CG1 150.00 -30.00 -135.63 -152.18 -72.10 . . 0 "[ . 1 . 2]"
92 CHI1 1 35 VAL N 1 35 VAL CA 1 35 VAL CB 1 35 VAL CG1 150.00 -30.00 171.71 164.64 177.60 . . 0 "[ . 1 . 2]"
93 CHI1 1 36 LYS N 1 36 LYS CA 1 36 LYS CB 1 36 LYS CG 150.00 -30.00 -60.28 -60.39 -62.18 . . 0 "[ . 1 . 2]"
94 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 150.00 -30.00 -171.25 177.18 -163.16 . . 0 "[ . 1 . 2]"
95 CHI1 1 38 CYS N 1 38 CYS CA 1 38 CYS CB 1 38 CYS SG 150.00 -30.00 -77.37 173.74 -50.61 . . 0 "[ . 1 . 2]"
96 CHI1 1 39 THR N 1 39 THR CA 1 39 THR CB 1 39 THR OG1 150.00 -30.00 -54.10 -53.70 -54.14 . . 0 "[ . 1 . 2]"
97 CHI1 1 40 ASP N 1 40 ASP CA 1 40 ASP CB 1 40 ASP CG 150.00 -30.00 -93.72 88.93 -65.58 61.07 3 1 "[ + . 1 . 2]"
98 CHI1 1 41 LEU N 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 150.00 -30.00 -62.93 -66.86 -72.66 . . 0 "[ . 1 . 2]"
99 CHI2 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 1 41 LEU CD1 150.00 -30.00 -155.23 175.54 -68.59 . . 0 "[ . 1 . 2]"
100 CHI1 1 43 GLU N 1 43 GLU CA 1 43 GLU CB 1 43 GLU CG 150.00 -30.00 -49.40 -59.21 -42.02 . . 0 "[ . 1 . 2]"
101 CHI1 1 49 LYS N 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG 150.00 -30.00 -104.57 -151.55 -154.49 . . 0 "[ . 1 . 2]"
102 CHI1 1 50 LEU N 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG 150.00 -30.00 -165.44 -177.72 -99.18 . . 0 "[ . 1 . 2]"
103 CHI1 1 51 ASP N 1 51 ASP CA 1 51 ASP CB 1 51 ASP CG 150.00 -30.00 179.30 169.48 168.81 . . 0 "[ . 1 . 2]"
104 CHI1 1 52 LEU N 1 52 LEU CA 1 52 LEU CB 1 52 LEU CG 150.00 -30.00 172.42 165.06 -179.96 . . 0 "[ . 1 . 2]"
105 CHI1 1 53 VAL N 1 53 VAL CA 1 53 VAL CB 1 53 VAL CG1 150.00 -30.00 176.13 169.58 -179.31 . . 0 "[ . 1 . 2]"
106 CHI1 1 54 ILE N 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 150.00 -30.00 -62.89 -60.45 -60.58 . . 0 "[ . 1 . 2]"
107 CHI1 1 55 LYS N 1 55 LYS CA 1 55 LYS CB 1 55 LYS CG 150.00 -30.00 -85.18 -115.58 -162.68 . . 0 "[ . 1 . 2]"
108 CHI1 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG 150.00 -30.00 -95.36 -158.94 -77.84 . . 0 "[ . 1 . 2]"
109 CHI1 1 57 MET N 1 57 MET CA 1 57 MET CB 1 57 MET CG 150.00 -30.00 -139.85 151.05 -66.40 . . 0 "[ . 1 . 2]"
110 CHI1 1 58 LYS N 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG 150.00 -30.00 175.27 -176.63 -177.35 . . 0 "[ . 1 . 2]"
111 CHI1 1 59 ARG N 1 59 ARG CA 1 59 ARG CB 1 59 ARG CG 150.00 -30.00 -177.51 174.96 172.84 . . 0 "[ . 1 . 2]"
112 CHI1 1 60 LEU N 1 60 LEU CA 1 60 LEU CB 1 60 LEU CG 150.00 -30.00 -69.45 -73.44 -64.55 . . 0 "[ . 1 . 2]"
113 CHI1 1 61 MET N 1 61 MET CA 1 61 MET CB 1 61 MET CG 150.00 -30.00 -73.08 -69.18 -69.47 . . 0 "[ . 1 . 2]"
114 CHI1 1 62 GLN N 1 62 GLN CA 1 62 GLN CB 1 62 GLN CG 150.00 -30.00 -174.71 -178.07 -179.40 . . 0 "[ . 1 . 2]"
115 CHI1 1 70 ASN N 1 70 ASN CA 1 70 ASN CB 1 70 ASN CG 150.00 -30.00 -142.00 -72.26 -157.01 . . 0 "[ . 1 . 2]"
116 CHI1 1 71 MET N 1 71 MET CA 1 71 MET CB 1 71 MET CG 150.00 -30.00 -63.23 -70.10 -55.82 . . 0 "[ . 1 . 2]"
117 CHI1 1 73 PHE N 1 73 PHE CA 1 73 PHE CB 1 73 PHE CG 150.00 -30.00 174.67 154.82 -48.13 . . 0 "[ . 1 . 2]"
118 CHI1 1 74 ASP N 1 74 ASP CA 1 74 ASP CB 1 74 ASP CG 150.00 -30.00 -174.39 175.92 -56.75 . . 0 "[ . 1 . 2]"
119 CHI1 1 75 PHE N 1 75 PHE CA 1 75 PHE CB 1 75 PHE CG 150.00 -30.00 -141.47 -177.62 -68.79 . . 0 "[ . 1 . 2]"
120 CHI1 1 76 ILE N 1 76 ILE CA 1 76 ILE CB 1 76 ILE CG1 150.00 -30.00 -158.02 -161.20 -154.31 . . 0 "[ . 1 . 2]"
121 CHI1 1 77 LEU N 1 77 LEU CA 1 77 LEU CB 1 77 LEU CG 150.00 -30.00 -116.92 -166.28 -84.09 . . 0 "[ . 1 . 2]"
122 CHI1 1 78 ASP N 1 78 ASP CA 1 78 ASP CB 1 78 ASP CG 150.00 -30.00 176.22 173.62 173.34 . . 0 "[ . 1 . 2]"
123 CHI1 1 80 VAL N 1 80 VAL CA 1 80 VAL CB 1 80 VAL CG1 150.00 -30.00 175.99 170.40 -177.30 . . 0 "[ . 1 . 2]"
124 CHI1 1 81 GLN N 1 81 GLN CA 1 81 GLN CB 1 81 GLN CG 150.00 -30.00 -57.58 -57.78 -58.39 . . 0 "[ . 1 . 2]"
125 CHI1 1 82 VAL N 1 82 VAL CA 1 82 VAL CB 1 82 VAL CG1 150.00 -30.00 -60.67 -60.86 -61.00 . . 0 "[ . 1 . 2]"
126 CHI1 1 83 VAL N 1 83 VAL CA 1 83 VAL CB 1 83 VAL CG1 150.00 -30.00 -175.94 -173.84 -174.32 . . 0 "[ . 1 . 2]"
127 CHI1 1 84 LEU N 1 84 LEU CA 1 84 LEU CB 1 84 LEU CG 150.00 -30.00 -131.71 -161.48 -164.09 . . 0 "[ . 1 . 2]"
128 CHI1 1 85 GLN N 1 85 GLN CA 1 85 GLN CB 1 85 GLN CG 150.00 -30.00 -75.78 -81.35 -88.10 . . 0 "[ . 1 . 2]"
129 CHI1 1 86 GLN N 1 86 GLN CA 1 86 GLN CB 1 86 GLN CG 150.00 -30.00 168.21 166.50 165.55 . . 0 "[ . 1 . 2]"
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