NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
413061 |
2c52   |
6874 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2c52
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 142
_TA_constraint_stats_list.Viol_count 800
_TA_constraint_stats_list.Viol_total 34705.64
_TA_constraint_stats_list.Viol_max 5.93
_TA_constraint_stats_list.Viol_rms 0.55
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 1.17
_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 5 ILE C 1 6 SER N 1 6 SER CA 1 6 SER C -118.00 -50.00 -68.29 -92.95 -51.42 . . 0 "[ . 1 . 2 . 3 . ]"
2 PSI 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 PRO N 90.00 -178.00 138.90 131.35 130.00 . . 0 "[ . 1 . 2 . 3 . ]"
3 PHI 1 7 PRO C 1 8 SER N 1 8 SER CA 1 8 SER C -100.00 -20.00 -76.60 -102.32 -102.56 3.13 16 0 "[ . 1 . 2 . 3 . ]"
4 PSI 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 ALA N -65.00 -13.00 -25.42 -55.13 -9.39 3.61 15 0 "[ . 1 . 2 . 3 . ]"
5 PHI 1 8 SER C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -90.00 -30.00 -65.14 -72.34 -72.58 . . 0 "[ . 1 . 2 . 3 . ]"
6 PSI 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 LEU N -90.00 -20.00 -53.85 -64.21 -29.19 . . 0 "[ . 1 . 2 . 3 . ]"
7 PHI 1 9 ALA C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -90.00 -30.00 -48.79 -67.65 -39.15 . . 0 "[ . 1 . 2 . 3 . ]"
8 PSI 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 GLN N -56.00 -16.00 -38.77 -53.19 -26.63 . . 0 "[ . 1 . 2 . 3 . ]"
9 PHI 1 10 LEU C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -75.00 -55.00 -67.18 -63.98 -64.45 0.35 6 0 "[ . 1 . 2 . 3 . ]"
10 PSI 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 ASP N -53.00 -29.00 -37.30 -45.57 -28.47 0.53 20 0 "[ . 1 . 2 . 3 . ]"
11 PHI 1 11 GLN C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -77.00 -49.00 -71.80 -73.80 -73.93 0.15 24 0 "[ . 1 . 2 . 3 . ]"
12 PSI 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 LEU N -50.00 -30.00 -32.46 -28.61 -29.10 2.32 2 0 "[ . 1 . 2 . 3 . ]"
13 PHI 1 12 ASP C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -82.00 -54.00 -65.26 -69.45 -59.78 . . 0 "[ . 1 . 2 . 3 . ]"
14 PSI 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 LEU N -90.00 -25.00 -65.80 -72.42 -59.21 . . 0 "[ . 1 . 2 . 3 . ]"
15 PHI 1 13 LEU C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -72.00 -52.00 -53.58 -57.04 -57.79 1.96 18 0 "[ . 1 . 2 . 3 . ]"
16 PSI 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ARG N -54.00 -26.00 -34.21 -42.82 -29.46 . . 0 "[ . 1 . 2 . 3 . ]"
17 PHI 1 14 LEU C 1 15 ARG N 1 15 ARG CA 1 15 ARG C -75.00 -55.00 -73.52 -69.06 -70.01 2.68 33 0 "[ . 1 . 2 . 3 . ]"
18 PSI 1 15 ARG N 1 15 ARG CA 1 15 ARG C 1 16 THR N -55.00 -19.00 -26.98 -41.16 -18.79 0.21 15 0 "[ . 1 . 2 . 3 . ]"
19 PHI 1 15 ARG C 1 16 THR N 1 16 THR CA 1 16 THR C -84.00 -52.00 -71.28 -68.42 -69.34 . . 0 "[ . 1 . 2 . 3 . ]"
20 PSI 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 LEU N -57.00 -25.00 -43.13 -41.83 -43.99 . . 0 "[ . 1 . 2 . 3 . ]"
21 PHI 1 16 THR C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -89.00 -49.00 -59.32 -75.88 -46.92 2.08 33 0 "[ . 1 . 2 . 3 . ]"
22 PSI 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LYS N -53.00 -17.00 -26.77 -30.16 -30.68 0.72 13 0 "[ . 1 . 2 . 3 . ]"
23 PHI 1 17 LEU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -109.00 -53.00 -56.22 -70.36 -51.27 1.73 6 0 "[ . 1 . 2 . 3 . ]"
24 PSI 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 SER N -62.00 22.00 -32.31 -28.01 -29.64 . . 0 "[ . 1 . 2 . 3 . ]"
25 PHI 1 23 PRO C 1 24 GLN N 1 24 GLN CA 1 24 GLN C -75.00 -55.00 -60.59 -63.00 -54.60 0.40 31 0 "[ . 1 . 2 . 3 . ]"
26 PSI 1 24 GLN N 1 24 GLN CA 1 24 GLN C 1 25 GLN N -90.00 -20.00 -51.43 -49.97 -50.33 . . 0 "[ . 1 . 2 . 3 . ]"
27 PHI 1 24 GLN C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -90.00 -30.00 -30.85 -34.61 -26.60 3.40 31 0 "[ . 1 . 2 . 3 . ]"
28 PSI 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 GLN N -60.00 -15.00 -60.73 -61.34 -61.68 2.85 32 0 "[ . 1 . 2 . 3 . ]"
29 PHI 1 25 GLN C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -90.00 -30.00 -41.93 -44.26 -39.85 . . 0 "[ . 1 . 2 . 3 . ]"
30 PSI 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 GLN N -56.00 -28.00 -49.66 -51.24 -44.67 . . 0 "[ . 1 . 2 . 3 . ]"
31 PHI 1 26 GLN C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -75.00 -55.00 -73.14 -73.37 -73.62 . . 0 "[ . 1 . 2 . 3 . ]"
32 PSI 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 GLN N -51.00 -23.00 -27.27 -28.65 -29.99 0.03 33 0 "[ . 1 . 2 . 3 . ]"
33 PHI 1 27 GLN C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -83.00 -59.00 -69.05 -73.34 -65.70 . . 0 "[ . 1 . 2 . 3 . ]"
34 PSI 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 VAL N -52.00 -24.00 -52.14 -54.74 -44.09 2.74 28 0 "[ . 1 . 2 . 3 . ]"
35 PHI 1 28 GLN C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -76.00 -56.00 -58.93 -59.40 -59.66 0.73 28 0 "[ . 1 . 2 . 3 . ]"
36 PSI 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 LEU N -55.00 -35.00 -52.26 -52.24 -52.54 . . 0 "[ . 1 . 2 . 3 . ]"
37 PHI 1 29 VAL C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -68.00 -48.00 -62.76 -67.55 -58.87 . . 0 "[ . 1 . 2 . 3 . ]"
38 PSI 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ASN N -52.00 -32.00 -34.21 -40.18 -30.78 1.22 33 0 "[ . 1 . 2 . 3 . ]"
39 PHI 1 30 LEU C 1 31 ASN N 1 31 ASN CA 1 31 ASN C -74.00 -54.00 -58.92 -54.53 -56.57 0.74 23 0 "[ . 1 . 2 . 3 . ]"
40 PSI 1 31 ASN N 1 31 ASN CA 1 31 ASN C 1 32 ILE N -90.00 -30.00 -64.09 -68.12 -68.22 . . 0 "[ . 1 . 2 . 3 . ]"
41 PHI 1 31 ASN C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -78.00 -54.00 -61.76 -57.07 -57.67 0.58 9 0 "[ . 1 . 2 . 3 . ]"
42 PSI 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 LEU N -90.00 -30.00 -52.92 -53.22 -55.12 . . 0 "[ . 1 . 2 . 3 . ]"
43 PHI 1 32 ILE C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -90.00 -30.00 -46.85 -43.46 -44.18 . . 0 "[ . 1 . 2 . 3 . ]"
44 PSI 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 LYS N -54.00 -30.00 -30.77 -28.92 -29.06 2.86 3 0 "[ . 1 . 2 . 3 . ]"
45 PHI 1 33 LEU C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -90.00 -30.00 -83.52 -93.38 -61.77 3.38 17 0 "[ . 1 . 2 . 3 . ]"
46 PSI 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 SER N -51.00 -27.00 -43.55 -36.86 -41.21 3.44 20 0 "[ . 1 . 2 . 3 . ]"
47 PHI 1 37 PRO C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -84.00 -48.00 -52.09 -81.04 -43.21 4.79 28 0 "[ . 1 . 2 . 3 . ]"
48 PSI 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 LEU N -62.00 -18.00 -30.30 -34.90 -36.84 2.84 27 0 "[ . 1 . 2 . 3 . ]"
49 PHI 1 38 GLN C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -84.00 -52.00 -73.26 -86.32 -55.93 2.32 26 0 "[ . 1 . 2 . 3 . ]"
50 PSI 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 MET N -54.00 -22.00 -50.01 -51.74 -52.74 1.47 20 0 "[ . 1 . 2 . 3 . ]"
51 PHI 1 39 LEU C 1 40 MET N 1 40 MET CA 1 40 MET C -71.00 -51.00 -52.67 -65.17 -47.52 3.48 13 0 "[ . 1 . 2 . 3 . ]"
52 PSI 1 40 MET N 1 40 MET CA 1 40 MET C 1 41 ALA N -55.00 -27.00 -38.18 -55.59 -23.72 3.28 3 0 "[ . 1 . 2 . 3 . ]"
53 PHI 1 40 MET C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -70.00 -50.00 -53.83 -61.39 -48.91 1.09 16 0 "[ . 1 . 2 . 3 . ]"
54 PSI 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 ALA N -59.00 -27.00 -41.84 -48.93 -31.02 . . 0 "[ . 1 . 2 . 3 . ]"
55 PHI 1 41 ALA C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -80.00 -56.00 -67.66 -68.19 -68.47 . . 0 "[ . 1 . 2 . 3 . ]"
56 PSI 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 PHE N -60.00 -15.00 -59.25 -60.62 -60.85 2.37 32 0 "[ . 1 . 2 . 3 . ]"
57 PHI 1 42 ALA C 1 43 PHE N 1 43 PHE CA 1 43 PHE C -75.00 -55.00 -56.77 -69.05 -52.81 2.19 29 0 "[ . 1 . 2 . 3 . ]"
58 PSI 1 43 PHE N 1 43 PHE CA 1 43 PHE C 1 44 ILE N -64.00 -24.00 -56.39 -59.58 -53.60 . . 0 "[ . 1 . 2 . 3 . ]"
59 PHI 1 43 PHE C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -90.00 -30.00 -46.37 -47.73 -48.01 . . 0 "[ . 1 . 2 . 3 . ]"
60 PSI 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 LYS N -55.00 -31.00 -42.48 -40.03 -41.39 . . 0 "[ . 1 . 2 . 3 . ]"
61 PHI 1 44 ILE C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -74.00 -54.00 -65.17 -75.78 -58.87 1.78 3 0 "[ . 1 . 2 . 3 . ]"
62 PSI 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 GLN N -61.00 -29.00 -39.29 -36.74 -38.05 0.16 37 0 "[ . 1 . 2 . 3 . ]"
63 PHI 1 45 LYS C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -72.00 -52.00 -68.78 -77.45 -54.31 5.45 13 1 "[ . 1 + . 2 . 3 . ]"
64 PSI 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 ARG N -68.00 -12.00 -37.11 -45.33 -45.71 . . 0 "[ . 1 . 2 . 3 . ]"
65 PHI 1 46 GLN C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -97.10 -46.60 -73.20 -95.71 -60.39 . . 0 "[ . 1 . 2 . 3 . ]"
66 PSI 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 THR N -74.90 23.60 -41.40 -42.11 -43.37 . . 0 "[ . 1 . 2 . 3 . ]"
67 PHI 1 47 ARG C 1 48 THR N 1 48 THR CA 1 48 THR C -103.20 -39.20 -76.75 -101.18 -59.70 . . 0 "[ . 1 . 2 . 3 . ]"
68 PSI 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 ALA N -54.40 -12.10 -20.12 -28.50 -11.08 1.02 34 0 "[ . 1 . 2 . 3 . ]"
69 PHI 1 48 THR C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -78.40 -52.90 -61.05 -62.47 -62.67 . . 0 "[ . 1 . 2 . 3 . ]"
70 PSI 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 LYS N -61.80 -5.30 -11.06 -18.47 -7.63 . . 0 "[ . 1 . 2 . 3 . ]"
71 PHI 1 49 ALA C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -105.80 -39.00 -90.46 -90.38 -90.96 . . 0 "[ . 1 . 2 . 3 . ]"
72 PSI 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 TYR N -73.30 13.60 -26.85 -35.41 -23.04 . . 0 "[ . 1 . 2 . 3 . ]"
73 PHI 1 50 LYS C 1 51 TYR N 1 51 TYR CA 1 51 TYR C -108.00 -40.00 -104.60 -109.06 -94.98 1.06 18 0 "[ . 1 . 2 . 3 . ]"
74 PSI 1 51 TYR N 1 51 TYR CA 1 51 TYR C 1 52 VAL N -88.00 36.00 -49.43 -59.59 -25.21 . . 0 "[ . 1 . 2 . 3 . ]"
75 PHI 1 51 TYR C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -112.00 -36.00 -45.10 -73.40 -38.78 . . 0 "[ . 1 . 2 . 3 . ]"
76 PSI 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 ALA N -69.00 3.00 -31.32 -41.45 -16.95 . . 0 "[ . 1 . 2 . 3 . ]"
77 PHI 1 52 VAL C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -107.00 -51.00 -72.07 -70.69 -71.71 . . 0 "[ . 1 . 2 . 3 . ]"
78 PSI 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 ASN N -74.00 42.00 -43.40 -53.29 -55.57 . . 0 "[ . 1 . 2 . 3 . ]"
79 PHI 1 54 ASN C 1 55 GLN N 1 55 GLN CA 1 55 GLN C -126.00 -46.00 -114.66 -131.93 -86.12 5.93 8 1 "[ . + 1 . 2 . 3 . ]"
80 PSI 1 55 GLN N 1 55 GLN CA 1 55 GLN C 1 56 PRO N 80.00 -168.00 96.41 80.07 123.89 . . 0 "[ . 1 . 2 . 3 . ]"
81 PHI 2 9 ASP C 2 10 GLU N 2 10 GLU CA 2 10 GLU C -90.00 -30.00 -40.65 -38.95 -39.16 . . 0 "[ . 1 . 2 . 3 . ]"
82 PSI 2 10 GLU N 2 10 GLU CA 2 10 GLU C 2 11 LYS N -90.00 -20.00 -54.09 -57.66 -59.13 . . 0 "[ . 1 . 2 . 3 . ]"
83 PHI 2 10 GLU C 2 11 LYS N 2 11 LYS CA 2 11 LYS C -84.00 -48.00 -57.71 -66.06 -42.31 5.69 35 1 "[ . 1 . 2 . 3 + ]"
84 PSI 2 11 LYS N 2 11 LYS CA 2 11 LYS C 2 12 ALA N -61.00 -17.00 -35.84 -54.55 -28.24 . . 0 "[ . 1 . 2 . 3 . ]"
85 PHI 2 11 LYS C 2 12 ALA N 2 12 ALA CA 2 12 ALA C -77.00 -57.00 -67.81 -66.98 -67.47 2.16 19 0 "[ . 1 . 2 . 3 . ]"
86 PSI 2 12 ALA N 2 12 ALA CA 2 12 ALA C 2 13 LEU N -57.00 -17.00 -34.33 -42.12 -27.30 . . 0 "[ . 1 . 2 . 3 . ]"
87 PHI 2 12 ALA C 2 13 LEU N 2 13 LEU CA 2 13 LEU C -90.00 -30.00 -62.10 -66.97 -52.27 . . 0 "[ . 1 . 2 . 3 . ]"
88 PSI 2 13 LEU N 2 13 LEU CA 2 13 LEU C 2 14 LEU N -60.00 -20.00 -57.47 -62.46 -35.39 2.46 29 0 "[ . 1 . 2 . 3 . ]"
89 PHI 2 13 LEU C 2 14 LEU N 2 14 LEU CA 2 14 LEU C -77.00 -49.00 -63.53 -60.75 -61.69 3.01 35 0 "[ . 1 . 2 . 3 . ]"
90 PSI 2 14 LEU N 2 14 LEU CA 2 14 LEU C 2 15 GLU N -54.00 -14.00 -36.55 -54.22 -25.19 0.22 37 0 "[ . 1 . 2 . 3 . ]"
91 PHI 2 14 LEU C 2 15 GLU N 2 15 GLU CA 2 15 GLU C -90.00 -30.00 -60.11 -68.95 -71.44 . . 0 "[ . 1 . 2 . 3 . ]"
92 PSI 2 15 GLU N 2 15 GLU CA 2 15 GLU C 2 16 GLN N -48.00 -28.00 -35.06 -48.51 -28.17 0.51 30 0 "[ . 1 . 2 . 3 . ]"
93 PHI 2 15 GLU C 2 16 GLN N 2 16 GLN CA 2 16 GLN C -77.00 -57.00 -69.30 -69.22 -70.53 . . 0 "[ . 1 . 2 . 3 . ]"
94 PSI 2 16 GLN N 2 16 GLN CA 2 16 GLN C 2 17 LEU N -53.00 -29.00 -46.53 -47.48 -47.88 . . 0 "[ . 1 . 2 . 3 . ]"
95 PHI 2 16 GLN C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -84.00 -56.00 -71.17 -84.10 -64.06 0.10 29 0 "[ . 1 . 2 . 3 . ]"
96 PSI 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 VAL N -58.00 -22.00 -45.34 -35.56 -39.80 1.67 31 0 "[ . 1 . 2 . 3 . ]"
97 PHI 2 17 LEU C 2 18 VAL N 2 18 VAL CA 2 18 VAL C -74.00 -50.00 -59.11 -72.56 -48.87 1.13 33 0 "[ . 1 . 2 . 3 . ]"
98 PSI 2 18 VAL N 2 18 VAL CA 2 18 VAL C 2 19 SER N -54.00 -34.00 -47.31 -55.86 -36.88 1.86 8 0 "[ . 1 . 2 . 3 . ]"
99 PHI 2 18 VAL C 2 19 SER N 2 19 SER CA 2 19 SER C -72.00 -52.00 -59.51 -59.04 -59.12 1.58 19 0 "[ . 1 . 2 . 3 . ]"
100 PSI 2 19 SER N 2 19 SER CA 2 19 SER C 2 20 PHE N -53.00 -29.00 -47.08 -46.51 -47.33 2.21 9 0 "[ . 1 . 2 . 3 . ]"
101 PHI 2 19 SER C 2 20 PHE N 2 20 PHE CA 2 20 PHE C -74.00 -54.00 -63.63 -59.52 -60.16 1.10 12 0 "[ . 1 . 2 . 3 . ]"
102 PSI 2 20 PHE N 2 20 PHE CA 2 20 PHE C 2 21 LEU N -57.00 -33.00 -31.90 -40.36 -29.64 3.36 7 0 "[ . 1 . 2 . 3 . ]"
103 PHI 2 20 PHE C 2 21 LEU N 2 21 LEU CA 2 21 LEU C -72.00 -52.00 -67.88 -72.63 -59.48 0.63 15 0 "[ . 1 . 2 . 3 . ]"
104 PSI 2 21 LEU N 2 21 LEU CA 2 21 LEU C 2 22 SER N -51.00 -31.00 -44.52 -48.01 -48.91 . . 0 "[ . 1 . 2 . 3 . ]"
105 PHI 2 21 LEU C 2 22 SER N 2 22 SER CA 2 22 SER C -85.00 -53.00 -53.42 -60.21 -51.36 1.64 23 0 "[ . 1 . 2 . 3 . ]"
106 PSI 2 22 SER N 2 22 SER CA 2 22 SER C 2 23 GLY N -54.00 -18.00 -50.30 -41.56 -43.93 1.05 36 0 "[ . 1 . 2 . 3 . ]"
107 PHI 2 23 GLY C 2 24 LYS N 2 24 LYS CA 2 24 LYS C -154.00 -42.00 -42.53 -41.29 -41.49 1.89 13 0 "[ . 1 . 2 . 3 . ]"
108 PSI 2 24 LYS N 2 24 LYS CA 2 24 LYS C 2 25 ASP N 56.00 -164.00 121.79 120.50 119.95 . . 0 "[ . 1 . 2 . 3 . ]"
109 PHI 2 25 ASP C 2 26 GLU N 2 26 GLU CA 2 26 GLU C -70.00 -46.00 -49.65 -47.88 -48.61 1.06 24 0 "[ . 1 . 2 . 3 . ]"
110 PSI 2 26 GLU N 2 26 GLU CA 2 26 GLU C 2 27 THR N -56.00 -12.00 -26.75 -36.14 -15.00 . . 0 "[ . 1 . 2 . 3 . ]"
111 PHI 2 26 GLU C 2 27 THR N 2 27 THR CA 2 27 THR C -79.00 -51.00 -53.36 -67.71 -50.06 0.94 13 0 "[ . 1 . 2 . 3 . ]"
112 PSI 2 27 THR N 2 27 THR CA 2 27 THR C 2 28 GLU N -56.00 -24.00 -31.43 -47.79 -23.91 0.09 34 0 "[ . 1 . 2 . 3 . ]"
113 PHI 2 27 THR C 2 28 GLU N 2 28 GLU CA 2 28 GLU C -79.00 -55.00 -60.59 -61.04 -62.05 0.82 25 0 "[ . 1 . 2 . 3 . ]"
114 PSI 2 28 GLU N 2 28 GLU CA 2 28 GLU C 2 29 LEU N -90.00 -5.00 -51.34 -29.77 -31.98 . . 0 "[ . 1 . 2 . 3 . ]"
115 PHI 2 28 GLU C 2 29 LEU N 2 29 LEU CA 2 29 LEU C -90.00 -30.00 -73.33 -86.43 -89.04 1.42 37 0 "[ . 1 . 2 . 3 . ]"
116 PSI 2 29 LEU N 2 29 LEU CA 2 29 LEU C 2 30 ALA N -55.00 -15.00 -49.12 -54.49 -30.17 . . 0 "[ . 1 . 2 . 3 . ]"
117 PHI 2 29 LEU C 2 30 ALA N 2 30 ALA CA 2 30 ALA C -79.00 -51.00 -80.23 -80.22 -80.28 2.36 22 0 "[ . 1 . 2 . 3 . ]"
118 PHI 2 30 ALA C 2 31 GLU N 2 31 GLU CA 2 31 GLU C -90.00 -30.00 -50.18 -48.98 -49.77 . . 0 "[ . 1 . 2 . 3 . ]"
119 PSI 2 31 GLU N 2 31 GLU CA 2 31 GLU C 2 32 LEU N -56.00 -24.00 -22.77 -25.94 -20.44 3.56 30 0 "[ . 1 . 2 . 3 . ]"
120 PHI 2 31 GLU C 2 32 LEU N 2 32 LEU CA 2 32 LEU C -81.00 -53.00 -79.06 -77.93 -78.76 2.43 3 0 "[ . 1 . 2 . 3 . ]"
121 PSI 2 32 LEU N 2 32 LEU CA 2 32 LEU C 2 33 ASP N -52.00 -32.00 -46.26 -52.42 -52.45 3.22 12 0 "[ . 1 . 2 . 3 . ]"
122 PHI 2 32 LEU C 2 33 ASP N 2 33 ASP CA 2 33 ASP C -79.00 -55.00 -70.55 -81.15 -60.15 2.15 12 0 "[ . 1 . 2 . 3 . ]"
123 PSI 2 33 ASP N 2 33 ASP CA 2 33 ASP C 2 34 ARG N -90.00 -16.00 -15.59 -15.70 -15.83 3.21 24 0 "[ . 1 . 2 . 3 . ]"
124 PHI 2 33 ASP C 2 34 ARG N 2 34 ARG CA 2 34 ARG C -90.00 -30.00 -39.79 -39.87 -41.31 . . 0 "[ . 1 . 2 . 3 . ]"
125 PSI 2 34 ARG N 2 34 ARG CA 2 34 ARG C 2 35 ALA N -64.00 -12.00 -29.58 -36.58 -20.76 . . 0 "[ . 1 . 2 . 3 . ]"
126 PHI 2 34 ARG C 2 35 ALA N 2 35 ALA CA 2 35 ALA C -90.00 -30.00 -41.24 -50.16 -34.43 . . 0 "[ . 1 . 2 . 3 . ]"
127 PSI 2 35 ALA N 2 35 ALA CA 2 35 ALA C 2 36 LEU N -62.00 -2.00 -58.55 -58.21 -60.35 1.70 16 0 "[ . 1 . 2 . 3 . ]"
128 PHI 2 35 ALA C 2 36 LEU N 2 36 LEU CA 2 36 LEU C -110.00 -74.00 -98.88 -110.41 -79.87 0.41 22 0 "[ . 1 . 2 . 3 . ]"
129 PSI 2 36 LEU N 2 36 LEU CA 2 36 LEU C 2 37 GLY N -30.00 26.00 -19.70 -14.24 -15.64 0.74 14 0 "[ . 1 . 2 . 3 . ]"
130 PHI 2 36 LEU C 2 37 GLY N 2 37 GLY CA 2 37 GLY C 64.00 104.00 75.75 65.82 88.06 . . 0 "[ . 1 . 2 . 3 . ]"
131 PSI 2 37 GLY N 2 37 GLY CA 2 37 GLY C 2 38 ILE N -90.00 33.00 -33.58 -59.23 8.36 . . 0 "[ . 1 . 2 . 3 . ]"
132 PSI 2 38 ILE N 2 38 ILE CA 2 38 ILE C 2 39 ASP N -70.00 20.00 19.40 19.58 18.11 5.15 27 1 "[ . 1 . 2 . + 3 . ]"
133 PHI 2 38 ILE C 2 39 ASP N 2 39 ASP CA 2 39 ASP C -94.00 -46.00 -55.37 -52.93 -53.34 . . 0 "[ . 1 . 2 . 3 . ]"
134 PSI 2 39 ASP N 2 39 ASP CA 2 39 ASP C 2 40 LYS N -72.00 24.00 -20.09 -41.84 -2.01 . . 0 "[ . 1 . 2 . 3 . ]"
135 PHI 2 39 ASP C 2 40 LYS N 2 40 LYS CA 2 40 LYS C -87.00 -47.00 -77.12 -74.11 -75.89 3.96 13 0 "[ . 1 . 2 . 3 . ]"
136 PSI 2 40 LYS N 2 40 LYS CA 2 40 LYS C 2 41 LEU N -66.00 -6.00 -23.68 -51.67 -5.27 0.73 9 0 "[ . 1 . 2 . 3 . ]"
137 PHI 2 40 LYS C 2 41 LEU N 2 41 LEU CA 2 41 LEU C -100.00 -40.00 -83.45 -85.27 -88.12 1.12 37 0 "[ . 1 . 2 . 3 . ]"
138 PSI 2 41 LEU N 2 41 LEU CA 2 41 LEU C 2 42 VAL N -63.00 -7.00 -33.52 -51.64 -11.12 . . 0 "[ . 1 . 2 . 3 . ]"
139 PHI 2 41 LEU C 2 42 VAL N 2 42 VAL CA 2 42 VAL C -113.00 -45.00 -83.38 -67.68 -67.75 3.36 14 0 "[ . 1 . 2 . 3 . ]"
140 PSI 2 42 VAL N 2 42 VAL CA 2 42 VAL C 2 43 GLN N -90.00 -5.00 -7.37 -15.21 -2.57 2.43 11 0 "[ . 1 . 2 . 3 . ]"
141 PHI 2 42 VAL C 2 43 GLN N 2 43 GLN CA 2 43 GLN C -107.00 -30.00 -34.24 -44.83 -28.57 1.43 10 0 "[ . 1 . 2 . 3 . ]"
142 PSI 2 43 GLN N 2 43 GLN CA 2 43 GLN C 2 44 GLY N -45.00 19.00 -40.90 -44.55 -45.27 3.88 14 0 "[ . 1 . 2 . 3 . ]"
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