NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580866 |
2mka   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mka
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 204
_TA_constraint_stats_list.Viol_count 207
_TA_constraint_stats_list.Viol_total 6319.35
_TA_constraint_stats_list.Viol_max 10.95
_TA_constraint_stats_list.Viol_rms 1.37
_TA_constraint_stats_list.Viol_average_all_restraints 0.31
_TA_constraint_stats_list.Viol_average_violations_only 3.05
_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 CHI1 1 12 ILE N 1 12 ILE CA 1 12 ILE CB 1 12 ILE CG1 -90.00 -30.00 -65.06 -69.99 -60.35 . . 0 "[ . 1]"
2 CHI1 2 12 ILE N 2 12 ILE CA 2 12 ILE CB 2 12 ILE CG1 -90.00 -30.00 -65.75 -70.46 -61.10 . . 0 "[ . 1]"
3 CHI1 3 12 ILE N 3 12 ILE CA 3 12 ILE CB 3 12 ILE CG1 -90.00 -30.00 -64.71 -69.28 -60.12 . . 0 "[ . 1]"
4 CHI1 1 16 ILE N 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 -90.00 -30.00 -57.80 -49.66 -55.97 . . 0 "[ . 1]"
5 CHI1 2 16 ILE N 2 16 ILE CA 2 16 ILE CB 2 16 ILE CG1 -90.00 -30.00 -61.71 -53.00 -56.01 . . 0 "[ . 1]"
6 CHI1 3 16 ILE N 3 16 ILE CA 3 16 ILE CB 3 16 ILE CG1 -90.00 -30.00 -58.92 -49.45 -57.36 . . 0 "[ . 1]"
7 CHI1 1 19 ILE N 1 19 ILE CA 1 19 ILE CB 1 19 ILE CG1 -90.00 -30.00 -67.28 -69.46 -64.93 . . 0 "[ . 1]"
8 CHI1 2 19 ILE N 2 19 ILE CA 2 19 ILE CB 2 19 ILE CG1 -90.00 -30.00 -70.78 -68.92 -69.49 . . 0 "[ . 1]"
9 CHI1 3 19 ILE N 3 19 ILE CA 3 19 ILE CB 3 19 ILE CG1 -90.00 -30.00 -67.87 -70.59 -66.30 . . 0 "[ . 1]"
10 CHI1 1 21 ILE N 1 21 ILE CA 1 21 ILE CB 1 21 ILE CG1 -90.00 -30.00 -70.23 -71.44 -72.63 . . 0 "[ . 1]"
11 CHI1 2 21 ILE N 2 21 ILE CA 2 21 ILE CB 2 21 ILE CG1 -90.00 -30.00 -69.73 -73.38 -67.77 . . 0 "[ . 1]"
12 CHI1 3 21 ILE N 3 21 ILE CA 3 21 ILE CB 3 21 ILE CG1 -90.00 -30.00 -68.36 -71.14 -66.75 . . 0 "[ . 1]"
13 CHI1 1 23 ILE N 1 23 ILE CA 1 23 ILE CB 1 23 ILE CG1 -90.00 -30.00 -79.08 -80.18 -80.57 . . 0 "[ . 1]"
14 CHI1 2 23 ILE N 2 23 ILE CA 2 23 ILE CB 2 23 ILE CG1 -90.00 -30.00 -79.24 -80.17 -82.38 . . 0 "[ . 1]"
15 CHI1 3 23 ILE N 3 23 ILE CA 3 23 ILE CB 3 23 ILE CG1 -90.00 -30.00 -79.13 -82.56 -75.92 . . 0 "[ . 1]"
16 CHI1 1 27 ILE N 1 27 ILE CA 1 27 ILE CB 1 27 ILE CG1 -90.00 -30.00 -90.44 -89.77 -90.07 1.34 10 0 "[ . 1]"
17 CHI1 2 27 ILE N 2 27 ILE CA 2 27 ILE CB 2 27 ILE CG1 -90.00 -30.00 -90.20 -89.66 -90.01 0.82 10 0 "[ . 1]"
18 CHI1 3 27 ILE N 3 27 ILE CA 3 27 ILE CB 3 27 ILE CG1 -90.00 -30.00 -90.20 -89.75 -90.17 0.48 9 0 "[ . 1]"
19 CHI1 1 24 VAL N 1 24 VAL CA 1 24 VAL CB 1 24 VAL CG1 150.00 -150.00 169.11 165.17 175.13 . . 0 "[ . 1]"
20 CHI1 2 24 VAL N 2 24 VAL CA 2 24 VAL CB 2 24 VAL CG1 150.00 -150.00 168.89 164.35 174.07 . . 0 "[ . 1]"
21 CHI1 3 24 VAL N 3 24 VAL CA 3 24 VAL CB 3 24 VAL CG1 150.00 -150.00 167.99 159.96 175.55 . . 0 "[ . 1]"
22 CHI1 1 11 MET N 1 11 MET CA 1 11 MET CB 1 11 MET CG -90.00 -30.00 -90.86 -90.23 -90.40 1.83 6 0 "[ . 1]"
23 CHI1 2 11 MET N 2 11 MET CA 2 11 MET CB 2 11 MET CG -90.00 -30.00 -90.82 -90.11 -90.14 2.44 10 0 "[ . 1]"
24 CHI1 3 11 MET N 3 11 MET CA 3 11 MET CB 3 11 MET CG -90.00 -30.00 -90.85 -90.22 -90.29 2.91 6 0 "[ . 1]"
25 CHI1 1 18 LEU N 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG -90.00 -30.00 -77.01 -77.79 -79.00 . . 0 "[ . 1]"
26 CHI1 2 18 LEU N 2 18 LEU CA 2 18 LEU CB 2 18 LEU CG -90.00 -30.00 -76.73 -78.13 -74.68 . . 0 "[ . 1]"
27 CHI1 3 18 LEU N 3 18 LEU CA 3 18 LEU CB 3 18 LEU CG -90.00 -30.00 -73.76 -79.83 -69.06 . . 0 "[ . 1]"
28 CHI1 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -90.00 -30.00 -79.47 -80.08 -81.25 . . 0 "[ . 1]"
29 CHI1 2 25 LEU N 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG -90.00 -30.00 -77.89 -76.43 -79.36 . . 0 "[ . 1]"
30 CHI1 3 25 LEU N 3 25 LEU CA 3 25 LEU CB 3 25 LEU CG -90.00 -30.00 -77.98 -80.10 -91.46 1.46 1 0 "[ . 1]"
31 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 150.00 -150.00 172.85 173.70 172.53 . . 0 "[ . 1]"
32 CHI1 2 28 HIS N 2 28 HIS CA 2 28 HIS CB 2 28 HIS CG 150.00 -150.00 173.87 177.90 175.37 . . 0 "[ . 1]"
33 CHI1 3 28 HIS N 3 28 HIS CA 3 28 HIS CB 3 28 HIS CG 150.00 -150.00 178.21 173.30 -173.87 . . 0 "[ . 1]"
34 CHI2 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 1 25 LEU CD1 150.00 -150.00 -169.18 -172.12 -165.76 . . 0 "[ . 1]"
35 CHI2 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG 2 25 LEU CD1 150.00 -150.00 -168.89 -171.17 -165.57 . . 0 "[ . 1]"
36 CHI2 3 25 LEU CA 3 25 LEU CB 3 25 LEU CG 3 25 LEU CD1 150.00 -150.00 -169.78 -171.55 -173.38 . . 0 "[ . 1]"
37 PHI 1 2 ASP C 1 3 SER N 1 3 SER CA 1 3 SER C -137.20 -67.20 -106.04 -124.86 -88.57 . . 0 "[ . 1]"
38 PHI 2 2 ASP C 2 3 SER N 2 3 SER CA 2 3 SER C -137.20 -67.20 -106.86 -125.68 -93.18 . . 0 "[ . 1]"
39 PHI 3 2 ASP C 3 3 SER N 3 3 SER CA 3 3 SER C -137.20 -67.20 -108.18 -136.48 -94.12 . . 0 "[ . 1]"
40 PSI 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 ALA N -40.00 55.30 38.22 36.27 41.28 . . 0 "[ . 1]"
41 PSI 2 3 SER N 2 3 SER CA 2 3 SER C 2 4 ALA N -40.00 55.30 38.83 36.54 43.89 . . 0 "[ . 1]"
42 PSI 3 3 SER N 3 3 SER CA 3 3 SER C 3 4 ALA N -40.00 55.30 37.90 36.34 40.94 . . 0 "[ . 1]"
43 PHI 1 3 SER C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -97.40 -9.70 -70.99 -72.68 -70.12 . . 0 "[ . 1]"
44 PHI 2 3 SER C 2 4 ALA N 2 4 ALA CA 2 4 ALA C -97.40 -9.70 -70.37 -71.54 -69.20 . . 0 "[ . 1]"
45 PHI 3 3 SER C 3 4 ALA N 3 4 ALA CA 3 4 ALA C -97.40 -9.70 -70.71 -71.28 -69.32 . . 0 "[ . 1]"
46 PSI 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 PRO N -82.40 -5.00 -60.26 -60.39 -60.54 . . 0 "[ . 1]"
47 PSI 2 4 ALA N 2 4 ALA CA 2 4 ALA C 2 5 PRO N -82.40 -5.00 -60.11 -60.57 -59.22 . . 0 "[ . 1]"
48 PSI 3 4 ALA N 3 4 ALA CA 3 4 ALA C 3 5 PRO N -82.40 -5.00 -60.27 -60.25 -60.48 . . 0 "[ . 1]"
49 PHI 1 5 PRO C 1 6 PHE N 1 6 PHE CA 1 6 PHE C -84.60 -44.60 -64.60 -63.39 -65.04 . . 0 "[ . 1]"
50 PHI 2 5 PRO C 2 6 PHE N 2 6 PHE CA 2 6 PHE C -84.60 -44.60 -65.00 -63.32 -65.69 . . 0 "[ . 1]"
51 PHI 3 5 PRO C 3 6 PHE N 3 6 PHE CA 3 6 PHE C -84.60 -44.60 -65.05 -62.70 -65.98 . . 0 "[ . 1]"
52 PSI 1 6 PHE N 1 6 PHE CA 1 6 PHE C 1 7 GLU N -57.10 -17.10 -36.92 -41.86 -32.28 . . 0 "[ . 1]"
53 PSI 2 6 PHE N 2 6 PHE CA 2 6 PHE C 2 7 GLU N -57.10 -17.10 -36.86 -34.21 -34.42 . . 0 "[ . 1]"
54 PSI 3 6 PHE N 3 6 PHE CA 3 6 PHE C 3 7 GLU N -57.10 -17.10 -36.40 -40.82 -32.92 . . 0 "[ . 1]"
55 PHI 1 6 PHE C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -84.60 -44.60 -56.92 -59.48 -61.12 . . 0 "[ . 1]"
56 PHI 2 6 PHE C 2 7 GLU N 2 7 GLU CA 2 7 GLU C -84.60 -44.60 -57.13 -59.93 -53.24 . . 0 "[ . 1]"
57 PHI 3 6 PHE C 3 7 GLU N 3 7 GLU CA 3 7 GLU C -84.60 -44.60 -57.77 -59.21 -59.55 . . 0 "[ . 1]"
58 PSI 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 LEU N -57.90 -17.90 -54.65 -59.88 -46.42 1.98 10 0 "[ . 1]"
59 PSI 2 7 GLU N 2 7 GLU CA 2 7 GLU C 2 8 LEU N -57.90 -17.90 -54.29 -59.24 -47.25 1.34 6 0 "[ . 1]"
60 PSI 3 7 GLU N 3 7 GLU CA 3 7 GLU C 3 8 LEU N -57.90 -17.90 -54.82 -59.20 -47.15 1.30 6 0 "[ . 1]"
61 PHI 1 7 GLU C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -85.00 -45.00 -56.01 -60.28 -52.36 . . 0 "[ . 1]"
62 PHI 2 7 GLU C 2 8 LEU N 2 8 LEU CA 2 8 LEU C -85.00 -45.00 -55.35 -60.08 -52.60 . . 0 "[ . 1]"
63 PHI 3 7 GLU C 3 8 LEU N 3 8 LEU CA 3 8 LEU C -85.00 -45.00 -55.41 -52.77 -52.79 . . 0 "[ . 1]"
64 PSI 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 PHE N -61.20 -21.20 -46.76 -48.43 -50.03 . . 0 "[ . 1]"
65 PSI 2 8 LEU N 2 8 LEU CA 2 8 LEU C 2 9 PHE N -61.20 -21.20 -47.97 -47.55 -48.07 . . 0 "[ . 1]"
66 PSI 3 8 LEU N 3 8 LEU CA 3 8 LEU C 3 9 PHE N -61.20 -21.20 -47.46 -47.08 -48.54 . . 0 "[ . 1]"
67 PHI 1 8 LEU C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -85.50 -45.50 -51.88 -51.20 -51.35 . . 0 "[ . 1]"
68 PHI 2 8 LEU C 2 9 PHE N 2 9 PHE CA 2 9 PHE C -85.50 -45.50 -51.36 -52.73 -49.18 . . 0 "[ . 1]"
69 PHI 3 8 LEU C 3 9 PHE N 3 9 PHE CA 3 9 PHE C -85.50 -45.50 -51.74 -51.36 -51.37 . . 0 "[ . 1]"
70 PSI 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 PHE N -61.90 -21.90 -42.90 -46.32 -46.46 . . 0 "[ . 1]"
71 PSI 2 9 PHE N 2 9 PHE CA 2 9 PHE C 2 10 PHE N -61.90 -21.90 -43.46 -46.25 -47.05 . . 0 "[ . 1]"
72 PSI 3 9 PHE N 3 9 PHE CA 3 9 PHE C 3 10 PHE N -61.90 -21.90 -43.54 -45.72 -46.88 . . 0 "[ . 1]"
73 PHI 1 9 PHE C 1 10 PHE N 1 10 PHE CA 1 10 PHE C -84.50 -44.50 -74.93 -78.32 -71.47 . . 0 "[ . 1]"
74 PHI 2 9 PHE C 2 10 PHE N 2 10 PHE CA 2 10 PHE C -84.50 -44.50 -74.25 -79.88 -70.20 . . 0 "[ . 1]"
75 PHI 3 9 PHE C 3 10 PHE N 3 10 PHE CA 3 10 PHE C -84.50 -44.50 -73.98 -79.06 -68.37 . . 0 "[ . 1]"
76 PSI 1 10 PHE N 1 10 PHE CA 1 10 PHE C 1 11 MET N -61.80 -16.30 -27.28 -25.74 -26.15 . . 0 "[ . 1]"
77 PSI 2 10 PHE N 2 10 PHE CA 2 10 PHE C 2 11 MET N -61.80 -16.30 -27.18 -26.03 -26.16 . . 0 "[ . 1]"
78 PSI 3 10 PHE N 3 10 PHE CA 3 10 PHE C 3 11 MET N -61.80 -16.30 -27.12 -26.02 -26.10 . . 0 "[ . 1]"
79 PHI 1 10 PHE C 1 11 MET N 1 11 MET CA 1 11 MET C -87.80 -47.80 -72.90 -71.17 -72.96 . . 0 "[ . 1]"
80 PHI 2 10 PHE C 2 11 MET N 2 11 MET CA 2 11 MET C -87.80 -47.80 -74.84 -70.98 -72.90 . . 0 "[ . 1]"
81 PHI 3 10 PHE C 3 11 MET N 3 11 MET CA 3 11 MET C -87.80 -47.80 -74.93 -70.89 -72.58 . . 0 "[ . 1]"
82 PSI 1 11 MET N 1 11 MET CA 1 11 MET C 1 12 ILE N -59.90 -19.90 -34.28 -36.17 -58.99 . . 0 "[ . 1]"
83 PSI 2 11 MET N 2 11 MET CA 2 11 MET C 2 12 ILE N -59.90 -19.90 -33.17 -40.45 -59.92 0.02 1 0 "[ . 1]"
84 PSI 3 11 MET N 3 11 MET CA 3 11 MET C 3 12 ILE N -59.90 -19.90 -35.71 -40.32 -58.65 . . 0 "[ . 1]"
85 PHI 1 11 MET C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -84.10 -44.10 -80.93 -85.62 -58.04 1.52 7 0 "[ . 1]"
86 PHI 2 11 MET C 2 12 ILE N 2 12 ILE CA 2 12 ILE C -84.10 -44.10 -80.04 -84.39 -56.27 0.29 2 0 "[ . 1]"
87 PHI 3 11 MET C 3 12 ILE N 3 12 ILE CA 3 12 ILE C -84.10 -44.10 -81.45 -84.65 -58.74 0.55 4 0 "[ . 1]"
88 PSI 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 ASN N -62.60 -22.60 -47.38 -59.57 -36.78 . . 0 "[ . 1]"
89 PSI 2 12 ILE N 2 12 ILE CA 2 12 ILE C 2 13 ASN N -62.60 -22.60 -51.62 -62.77 -40.54 0.17 9 0 "[ . 1]"
90 PSI 3 12 ILE N 3 12 ILE CA 3 12 ILE C 3 13 ASN N -62.60 -22.60 -43.01 -60.29 -28.84 . . 0 "[ . 1]"
91 PHI 1 12 ILE C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -82.40 -42.40 -58.14 -53.06 -58.54 . . 0 "[ . 1]"
92 PHI 2 12 ILE C 2 13 ASN N 2 13 ASN CA 2 13 ASN C -82.40 -42.40 -57.23 -53.25 -57.81 . . 0 "[ . 1]"
93 PHI 3 12 ILE C 3 13 ASN N 3 13 ASN CA 3 13 ASN C -82.40 -42.40 -54.59 -54.09 -59.76 . . 0 "[ . 1]"
94 PSI 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 THR N -62.70 -22.70 -45.62 -47.83 -49.73 . . 0 "[ . 1]"
95 PSI 2 13 ASN N 2 13 ASN CA 2 13 ASN C 2 14 THR N -62.70 -22.70 -54.66 -47.88 -51.18 . . 0 "[ . 1]"
96 PSI 3 13 ASN N 3 13 ASN CA 3 13 ASN C 3 14 THR N -62.70 -22.70 -56.83 -58.31 -62.19 0.30 1 0 "[ . 1]"
97 PHI 1 13 ASN C 1 14 THR N 1 14 THR CA 1 14 THR C -81.30 -41.30 -50.81 -54.79 -46.68 . . 0 "[ . 1]"
98 PHI 2 13 ASN C 2 14 THR N 2 14 THR CA 2 14 THR C -81.30 -41.30 -52.65 -56.50 -49.35 . . 0 "[ . 1]"
99 PHI 3 13 ASN C 3 14 THR N 3 14 THR CA 3 14 THR C -81.30 -41.30 -52.78 -58.48 -47.73 . . 0 "[ . 1]"
100 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 SER N -59.80 -19.80 -31.56 -27.30 -28.34 . . 0 "[ . 1]"
101 PSI 2 14 THR N 2 14 THR CA 2 14 THR C 2 15 SER N -59.80 -19.80 -33.19 -31.58 -36.44 . . 0 "[ . 1]"
102 PSI 3 14 THR N 3 14 THR CA 3 14 THR C 3 15 SER N -59.80 -19.80 -34.08 -33.25 -37.49 . . 0 "[ . 1]"
103 PHI 1 14 THR C 1 15 SER N 1 15 SER CA 1 15 SER C -82.40 -42.40 -64.91 -64.78 -65.39 . . 0 "[ . 1]"
104 PHI 2 14 THR C 2 15 SER N 2 15 SER CA 2 15 SER C -82.40 -42.40 -63.48 -65.39 -60.94 . . 0 "[ . 1]"
105 PHI 3 14 THR C 3 15 SER N 3 15 SER CA 3 15 SER C -82.40 -42.40 -63.63 -64.95 -60.58 . . 0 "[ . 1]"
106 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 ILE N -62.80 -22.80 -64.38 -64.21 -64.24 2.57 8 0 "[ . 1]"
107 PSI 2 15 SER N 2 15 SER CA 2 15 SER C 2 16 ILE N -62.80 -22.80 -63.11 -64.52 -61.91 1.72 4 0 "[ . 1]"
108 PSI 3 15 SER N 3 15 SER CA 3 15 SER C 3 16 ILE N -62.80 -22.80 -63.84 -64.36 -63.01 1.56 9 0 "[ . 1]"
109 PHI 1 15 SER C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -83.00 -43.00 -54.09 -54.93 -56.90 . . 0 "[ . 1]"
110 PHI 2 15 SER C 2 16 ILE N 2 16 ILE CA 2 16 ILE C -83.00 -43.00 -52.08 -58.91 -49.75 . . 0 "[ . 1]"
111 PHI 3 15 SER C 3 16 ILE N 3 16 ILE CA 3 16 ILE C -83.00 -43.00 -53.22 -56.88 -51.22 . . 0 "[ . 1]"
112 PSI 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LEU N -64.30 -24.30 -37.97 -40.85 -34.21 . . 0 "[ . 1]"
113 PSI 2 16 ILE N 2 16 ILE CA 2 16 ILE C 2 17 LEU N -64.30 -24.30 -44.48 -41.11 -43.85 . . 0 "[ . 1]"
114 PSI 3 16 ILE N 3 16 ILE CA 3 16 ILE C 3 17 LEU N -64.30 -24.30 -37.28 -42.68 -32.53 . . 0 "[ . 1]"
115 PHI 1 16 ILE C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -82.90 -41.80 -68.36 -66.44 -67.14 . . 0 "[ . 1]"
116 PHI 2 16 ILE C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -82.90 -41.80 -64.59 -68.79 -60.04 . . 0 "[ . 1]"
117 PHI 3 16 ILE C 3 17 LEU N 3 17 LEU CA 3 17 LEU C -82.90 -41.80 -68.02 -66.67 -67.20 . . 0 "[ . 1]"
118 PSI 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LEU N -61.90 -21.90 -56.51 -59.78 -51.87 . . 0 "[ . 1]"
119 PSI 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 LEU N -61.90 -21.90 -54.87 -56.08 -57.03 . . 0 "[ . 1]"
120 PSI 3 17 LEU N 3 17 LEU CA 3 17 LEU C 3 18 LEU N -61.90 -21.90 -58.11 -56.55 -58.86 . . 0 "[ . 1]"
121 PHI 1 17 LEU C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -84.90 -44.90 -54.93 -56.24 -58.96 . . 0 "[ . 1]"
122 PHI 2 17 LEU C 2 18 LEU N 2 18 LEU CA 2 18 LEU C -84.90 -44.90 -56.62 -61.41 -52.75 . . 0 "[ . 1]"
123 PHI 3 17 LEU C 3 18 LEU N 3 18 LEU CA 3 18 LEU C -84.90 -44.90 -54.64 -61.37 -51.26 . . 0 "[ . 1]"
124 PSI 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 ILE N -54.70 -14.70 -32.58 -31.58 -33.62 . . 0 "[ . 1]"
125 PSI 2 18 LEU N 2 18 LEU CA 2 18 LEU C 2 19 ILE N -54.70 -14.70 -30.21 -31.35 -32.46 . . 0 "[ . 1]"
126 PSI 3 18 LEU N 3 18 LEU CA 3 18 LEU C 3 19 ILE N -54.70 -14.70 -32.76 -32.80 -33.68 . . 0 "[ . 1]"
127 PHI 1 18 LEU C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -83.40 -43.40 -65.63 -71.07 -60.03 . . 0 "[ . 1]"
128 PHI 2 18 LEU C 2 19 ILE N 2 19 ILE CA 2 19 ILE C -83.40 -43.40 -66.62 -73.76 -62.22 . . 0 "[ . 1]"
129 PHI 3 18 LEU C 3 19 ILE N 3 19 ILE CA 3 19 ILE C -83.40 -43.40 -64.49 -68.15 -61.32 . . 0 "[ . 1]"
130 PSI 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 PHE N -61.00 -21.00 -58.56 -56.39 -56.53 . . 0 "[ . 1]"
131 PSI 2 19 ILE N 2 19 ILE CA 2 19 ILE C 2 20 PHE N -61.00 -21.00 -58.66 -61.53 -55.58 0.53 8 0 "[ . 1]"
132 PSI 3 19 ILE N 3 19 ILE CA 3 19 ILE C 3 20 PHE N -61.00 -21.00 -59.55 -57.35 -59.39 0.64 7 0 "[ . 1]"
133 PHI 1 19 ILE C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -83.00 -43.00 -63.11 -64.46 -65.76 . . 0 "[ . 1]"
134 PHI 2 19 ILE C 2 20 PHE N 2 20 PHE CA 2 20 PHE C -83.00 -43.00 -64.88 -68.74 -62.31 . . 0 "[ . 1]"
135 PHI 3 19 ILE C 3 20 PHE N 3 20 PHE CA 3 20 PHE C -83.00 -43.00 -61.87 -62.84 -60.24 . . 0 "[ . 1]"
136 PSI 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 ILE N -64.30 -24.30 -39.48 -41.53 -43.88 . . 0 "[ . 1]"
137 PSI 2 20 PHE N 2 20 PHE CA 2 20 PHE C 2 21 ILE N -64.30 -24.30 -41.09 -40.07 -42.71 . . 0 "[ . 1]"
138 PSI 3 20 PHE N 3 20 PHE CA 3 20 PHE C 3 21 ILE N -64.30 -24.30 -40.84 -41.10 -42.48 . . 0 "[ . 1]"
139 PHI 1 20 PHE C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -84.10 -44.10 -62.84 -67.44 -56.65 . . 0 "[ . 1]"
140 PHI 2 20 PHE C 2 21 ILE N 2 21 ILE CA 2 21 ILE C -84.10 -44.10 -61.74 -64.44 -53.94 . . 0 "[ . 1]"
141 PHI 3 20 PHE C 3 21 ILE N 3 21 ILE CA 3 21 ILE C -84.10 -44.10 -62.51 -65.54 -55.12 . . 0 "[ . 1]"
142 PSI 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 PHE N -60.80 -20.80 -52.39 -55.24 -48.32 . . 0 "[ . 1]"
143 PSI 2 21 ILE N 2 21 ILE CA 2 21 ILE C 2 22 PHE N -60.80 -20.80 -51.74 -52.75 -53.60 . . 0 "[ . 1]"
144 PSI 3 21 ILE N 3 21 ILE CA 3 21 ILE C 3 22 PHE N -60.80 -20.80 -54.07 -52.16 -52.25 . . 0 "[ . 1]"
145 PHI 1 21 ILE C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -82.90 -42.90 -67.81 -66.93 -68.43 . . 0 "[ . 1]"
146 PHI 2 21 ILE C 2 22 PHE N 2 22 PHE CA 2 22 PHE C -82.90 -42.90 -67.66 -72.10 -63.42 . . 0 "[ . 1]"
147 PHI 3 21 ILE C 3 22 PHE N 3 22 PHE CA 3 22 PHE C -82.90 -42.90 -65.03 -67.62 -71.95 . . 0 "[ . 1]"
148 PSI 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ILE N -61.80 -21.80 -53.68 -55.68 -48.21 . . 0 "[ . 1]"
149 PSI 2 22 PHE N 2 22 PHE CA 2 22 PHE C 2 23 ILE N -61.80 -21.80 -52.47 -54.95 -47.99 . . 0 "[ . 1]"
150 PSI 3 22 PHE N 3 22 PHE CA 3 22 PHE C 3 23 ILE N -61.80 -21.80 -53.35 -54.00 -54.70 . . 0 "[ . 1]"
151 PHI 1 22 PHE C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -82.20 -42.20 -46.62 -46.77 -48.08 . . 0 "[ . 1]"
152 PHI 2 22 PHE C 2 23 ILE N 2 23 ILE CA 2 23 ILE C -82.20 -42.20 -47.45 -45.55 -46.03 . . 0 "[ . 1]"
153 PHI 3 22 PHE C 3 23 ILE N 3 23 ILE CA 3 23 ILE C -82.20 -42.20 -45.71 -46.94 -49.19 . . 0 "[ . 1]"
154 PSI 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 VAL N -66.40 -26.40 -51.71 -47.01 -49.76 . . 0 "[ . 1]"
155 PSI 2 23 ILE N 2 23 ILE CA 2 23 ILE C 2 24 VAL N -66.40 -26.40 -46.27 -46.09 -48.19 . . 0 "[ . 1]"
156 PSI 3 23 ILE N 3 23 ILE CA 3 23 ILE C 3 24 VAL N -66.40 -26.40 -50.90 -53.30 -56.34 . . 0 "[ . 1]"
157 PHI 1 23 ILE C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -81.00 -41.00 -57.80 -63.91 -52.73 . . 0 "[ . 1]"
158 PHI 2 23 ILE C 2 24 VAL N 2 24 VAL CA 2 24 VAL C -81.00 -41.00 -62.24 -65.61 -57.77 . . 0 "[ . 1]"
159 PHI 3 23 ILE C 3 24 VAL N 3 24 VAL CA 3 24 VAL C -81.00 -41.00 -58.71 -63.87 -54.48 . . 0 "[ . 1]"
160 PSI 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 LEU N -64.20 -24.20 -51.19 -55.25 -48.12 . . 0 "[ . 1]"
161 PSI 2 24 VAL N 2 24 VAL CA 2 24 VAL C 2 25 LEU N -64.20 -24.20 -52.74 -55.43 -51.47 . . 0 "[ . 1]"
162 PSI 3 24 VAL N 3 24 VAL CA 3 24 VAL C 3 25 LEU N -64.20 -24.20 -50.91 -55.15 -44.68 . . 0 "[ . 1]"
163 PHI 1 24 VAL C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -80.90 -40.90 -59.37 -55.65 -55.86 . . 0 "[ . 1]"
164 PHI 2 24 VAL C 2 25 LEU N 2 25 LEU CA 2 25 LEU C -80.90 -40.90 -58.00 -56.19 -57.96 . . 0 "[ . 1]"
165 PHI 3 24 VAL C 3 25 LEU N 3 25 LEU CA 3 25 LEU C -80.90 -40.90 -59.26 -55.67 -57.72 . . 0 "[ . 1]"
166 PSI 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 LEU N -60.30 -20.30 -41.42 -44.41 -45.65 . . 0 "[ . 1]"
167 PSI 2 25 LEU N 2 25 LEU CA 2 25 LEU C 2 26 LEU N -60.30 -20.30 -41.44 -47.30 -36.41 . . 0 "[ . 1]"
168 PSI 3 25 LEU N 3 25 LEU CA 3 25 LEU C 3 26 LEU N -60.30 -20.30 -41.50 -44.17 -45.29 . . 0 "[ . 1]"
169 PHI 1 25 LEU C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -81.70 -41.70 -56.04 -53.87 -54.51 . . 0 "[ . 1]"
170 PHI 2 25 LEU C 2 26 LEU N 2 26 LEU CA 2 26 LEU C -81.70 -41.70 -56.23 -53.92 -54.36 . . 0 "[ . 1]"
171 PHI 3 25 LEU C 3 26 LEU N 3 26 LEU CA 3 26 LEU C -81.70 -41.70 -56.28 -54.11 -54.91 . . 0 "[ . 1]"
172 PSI 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 ILE N -66.10 -26.10 -51.85 -57.20 -59.07 . . 0 "[ . 1]"
173 PSI 2 26 LEU N 2 26 LEU CA 2 26 LEU C 2 27 ILE N -66.10 -26.10 -51.60 -57.53 -47.50 . . 0 "[ . 1]"
174 PSI 3 26 LEU N 3 26 LEU CA 3 26 LEU C 3 27 ILE N -66.10 -26.10 -50.76 -56.15 -45.95 . . 0 "[ . 1]"
175 PHI 1 26 LEU C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -83.50 -43.50 -63.15 -67.40 -56.63 . . 0 "[ . 1]"
176 PHI 2 26 LEU C 2 27 ILE N 2 27 ILE CA 2 27 ILE C -83.50 -43.50 -64.09 -68.62 -57.02 . . 0 "[ . 1]"
177 PHI 3 26 LEU C 3 27 ILE N 3 27 ILE CA 3 27 ILE C -83.50 -43.50 -64.68 -69.44 -57.87 . . 0 "[ . 1]"
178 PSI 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 HIS N -60.20 -20.20 -49.96 -51.94 -46.89 . . 0 "[ . 1]"
179 PSI 2 27 ILE N 2 27 ILE CA 2 27 ILE C 2 28 HIS N -60.20 -20.20 -50.09 -51.50 -51.95 . . 0 "[ . 1]"
180 PSI 3 27 ILE N 3 27 ILE CA 3 27 ILE C 3 28 HIS N -60.20 -20.20 -51.39 -52.09 -52.22 . . 0 "[ . 1]"
181 PHI 1 27 ILE C 1 28 HIS N 1 28 HIS CA 1 28 HIS C -81.20 -41.20 -49.83 -52.36 -48.03 . . 0 "[ . 1]"
182 PHI 2 27 ILE C 2 28 HIS N 2 28 HIS CA 2 28 HIS C -81.20 -41.20 -49.81 -51.50 -47.50 . . 0 "[ . 1]"
183 PHI 3 27 ILE C 3 28 HIS N 3 28 HIS CA 3 28 HIS C -81.20 -41.20 -49.29 -50.91 -47.93 . . 0 "[ . 1]"
184 PSI 1 28 HIS N 1 28 HIS CA 1 28 HIS C 1 29 PHE N -62.90 -22.90 -33.61 -34.03 -36.16 . . 0 "[ . 1]"
185 PSI 2 28 HIS N 2 28 HIS CA 2 28 HIS C 2 29 PHE N -62.90 -22.90 -33.09 -33.59 -35.05 . . 0 "[ . 1]"
186 PSI 3 28 HIS N 3 28 HIS CA 3 28 HIS C 3 29 PHE N -62.90 -22.90 -32.50 -31.77 -32.36 . . 0 "[ . 1]"
187 PHI 1 28 HIS C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -91.90 -51.90 -97.84 -96.50 -97.14 7.22 8 9 "[* ****-+**]"
188 PHI 2 28 HIS C 2 29 PHE N 2 29 PHE CA 2 29 PHE C -91.90 -51.90 -97.66 -99.22 -95.01 7.32 4 8 "[ *+*-****]"
189 PHI 3 28 HIS C 3 29 PHE N 3 29 PHE CA 3 29 PHE C -91.90 -51.90 -96.61 -97.97 -94.83 6.07 8 3 "[ * +-1]"
190 PSI 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 GLU N -54.40 -14.40 -19.84 -22.91 -17.75 . . 0 "[ . 1]"
191 PSI 2 29 PHE N 2 29 PHE CA 2 29 PHE C 2 30 GLU N -54.40 -14.40 -20.60 -22.63 -19.32 . . 0 "[ . 1]"
192 PSI 3 29 PHE N 3 29 PHE CA 3 29 PHE C 3 30 GLU N -54.40 -14.40 -22.20 -23.48 -24.16 . . 0 "[ . 1]"
193 PHI 1 29 PHE C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -114.30 -74.30 -70.64 -71.14 -71.32 6.06 8 1 "[ . + 1]"
194 PHI 2 29 PHE C 2 30 GLU N 2 30 GLU CA 2 30 GLU C -114.30 -74.30 -70.56 -71.09 -72.57 6.20 8 1 "[ . + 1]"
195 PHI 3 29 PHE C 3 30 GLU N 3 30 GLU CA 3 30 GLU C -114.30 -74.30 -71.27 -71.56 -72.45 5.50 8 1 "[ . + 1]"
196 PSI 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 GLY N -21.50 26.80 -3.60 -7.25 -2.18 . . 0 "[ . 1]"
197 PSI 2 30 GLU N 2 30 GLU CA 2 30 GLU C 2 31 GLY N -21.50 26.80 -3.52 -7.01 -0.96 . . 0 "[ . 1]"
198 PSI 3 30 GLU N 3 30 GLU CA 3 30 GLU C 3 31 GLY N -21.50 26.80 -2.72 -6.25 -0.54 . . 0 "[ . 1]"
199 PHI 1 30 GLU C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 34.30 116.70 125.68 124.92 123.92 10.53 8 10 [-******+**]
200 PHI 2 30 GLU C 2 31 GLY N 2 31 GLY CA 2 31 GLY C 34.30 116.70 125.80 126.08 125.74 10.63 8 10 [******-+**]
201 PHI 3 30 GLU C 3 31 GLY N 3 31 GLY CA 3 31 GLY C 34.30 116.70 126.23 125.74 125.42 10.95 8 10 [-******+**]
202 PSI 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 TRP N -22.20 58.70 48.88 44.98 51.39 . . 0 "[ . 1]"
203 PSI 2 31 GLY N 2 31 GLY CA 2 31 GLY C 2 32 TRP N -22.20 58.70 48.68 45.93 45.76 . . 0 "[ . 1]"
204 PSI 3 31 GLY N 3 31 GLY CA 3 31 GLY C 3 32 TRP N -22.20 58.70 46.63 43.92 50.39 . . 0 "[ . 1]"
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