NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448309 |
2npu   |
6760 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2npu
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 170
_TA_constraint_stats_list.Viol_count 1288
_TA_constraint_stats_list.Viol_total 54260.23
_TA_constraint_stats_list.Viol_max 5.05
_TA_constraint_stats_list.Viol_rms 0.76
_TA_constraint_stats_list.Viol_average_all_restraints 0.31
_TA_constraint_stats_list.Viol_average_violations_only 1.32
_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 26 MET C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -119.70 -26.60 -100.34 -111.99 -112.45 . . 0 "[ . 1 . 2 . 3 ]"
2 PSI 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 LEU N -56.00 -0.90 -14.74 -3.64 -6.23 1.10 2 0 "[ . 1 . 2 . 3 ]"
3 PHI 1 29 ILE C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -180.00 -40.00 -133.33 179.52 -43.86 0.48 24 0 "[ . 1 . 2 . 3 ]"
4 PSI 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 VAL N -80.00 -160.00 131.35 138.91 136.78 . . 0 "[ . 1 . 2 . 3 ]"
5 PHI 1 30 ARG C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -147.90 -40.50 -73.69 -62.76 -74.25 2.47 23 0 "[ . 1 . 2 . 3 ]"
6 PSI 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 PRO N 89.10 169.50 136.40 124.07 144.57 . . 0 "[ . 1 . 2 . 3 ]"
7 PHI 1 32 PRO C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -180.00 -40.00 -98.52 -119.47 -49.14 . . 0 "[ . 1 . 2 . 3 ]"
8 PSI 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 LEU N -80.00 -160.00 89.65 93.14 91.34 2.25 32 0 "[ . 1 . 2 . 3 ]"
9 PHI 1 33 ILE C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -180.00 -40.00 -167.57 176.87 -130.09 3.13 32 0 "[ . 1 . 2 . 3 ]"
10 PSI 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 TRP N -80.00 -160.00 175.69 92.36 -157.51 2.49 27 0 "[ . 1 . 2 . 3 ]"
11 PHI 1 34 LEU C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -77.00 -49.00 -63.50 -57.59 -61.18 5.05 26 1 "[ . 1 . 2 .+ 3 ]"
12 PSI 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 HIS N -58.00 -6.00 -49.95 -52.49 -52.86 . . 0 "[ . 1 . 2 . 3 ]"
13 PHI 1 36 HIS C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -75.00 -55.00 -70.13 -68.07 -68.42 0.10 3 0 "[ . 1 . 2 . 3 ]"
14 PSI 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 MET N -53.00 -33.00 -36.06 -40.93 -32.05 0.95 12 0 "[ . 1 . 2 . 3 ]"
15 PHI 1 37 GLU C 1 38 MET N 1 38 MET CA 1 38 MET C -79.00 -55.00 -74.06 -79.55 -67.08 0.55 24 0 "[ . 1 . 2 . 3 ]"
16 PSI 1 38 MET N 1 38 MET CA 1 38 MET C 1 39 TRP N -55.00 -23.00 -32.33 -39.43 -29.65 . . 0 "[ . 1 . 2 . 3 ]"
17 PHI 1 38 MET C 1 39 TRP N 1 39 TRP CA 1 39 TRP C -74.00 -54.00 -70.06 -65.94 -67.13 0.83 29 0 "[ . 1 . 2 . 3 ]"
18 PSI 1 39 TRP N 1 39 TRP CA 1 39 TRP C 1 40 HIS N -50.00 -30.00 -48.51 -47.71 -48.52 1.86 31 0 "[ . 1 . 2 . 3 ]"
19 PHI 1 39 TRP C 1 40 HIS N 1 40 HIS CA 1 40 HIS C -73.00 -49.00 -60.33 -72.54 -52.56 . . 0 "[ . 1 . 2 . 3 ]"
20 PSI 1 40 HIS N 1 40 HIS CA 1 40 HIS C 1 41 GLU N -58.00 -38.00 -56.26 -58.50 -58.70 2.08 31 0 "[ . 1 . 2 . 3 ]"
21 PHI 1 40 HIS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -71.00 -51.00 -64.54 -61.02 -62.44 . . 0 "[ . 1 . 2 . 3 ]"
22 PSI 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 GLY N -54.00 -30.00 -38.00 -35.98 -36.00 0.21 16 0 "[ . 1 . 2 . 3 ]"
23 PHI 1 41 GLU C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -80.00 -52.00 -57.05 -58.87 -59.69 0.80 23 0 "[ . 1 . 2 . 3 ]"
24 PSI 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 LEU N -63.00 -23.00 -64.02 -63.69 -63.78 3.55 31 0 "[ . 1 . 2 . 3 ]"
25 PHI 1 42 GLY C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -82.00 -46.00 -59.53 -60.51 -61.17 . . 0 "[ . 1 . 2 . 3 ]"
26 PSI 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 GLU N -51.00 -31.00 -31.84 -32.04 -32.16 1.36 27 0 "[ . 1 . 2 . 3 ]"
27 PHI 1 43 LEU C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -75.00 -55.00 -53.91 -55.58 -52.14 2.86 16 0 "[ . 1 . 2 . 3 ]"
28 PSI 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 GLU N -53.00 -33.00 -51.61 -55.84 -45.83 2.84 23 0 "[ . 1 . 2 . 3 ]"
29 PHI 1 44 GLU C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -79.00 -51.00 -73.56 -80.63 -61.55 1.63 25 0 "[ . 1 . 2 . 3 ]"
30 PSI 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 ALA N -50.00 -30.00 -49.46 -48.00 -48.73 2.11 32 0 "[ . 1 . 2 . 3 ]"
31 PHI 1 45 GLU C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -80.00 -52.00 -53.86 -58.14 -50.99 1.01 9 0 "[ . 1 . 2 . 3 ]"
32 PSI 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 SER N -48.00 -28.00 -46.81 -47.66 -48.17 2.74 32 0 "[ . 1 . 2 . 3 ]"
33 PHI 1 46 ALA C 1 47 SER N 1 47 SER CA 1 47 SER C -79.00 -55.00 -65.51 -77.14 -56.56 . . 0 "[ . 1 . 2 . 3 ]"
34 PSI 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 ARG N -52.00 -28.00 -45.57 -49.77 -51.26 1.73 9 0 "[ . 1 . 2 . 3 ]"
35 PHI 1 47 SER C 1 48 ARG N 1 48 ARG CA 1 48 ARG C -83.00 -51.00 -54.42 -63.10 -49.66 1.34 7 0 "[ . 1 . 2 . 3 ]"
36 PSI 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 LEU N -51.00 -31.00 -43.30 -52.66 -32.50 1.66 30 0 "[ . 1 . 2 . 3 ]"
37 PHI 1 48 ARG C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -70.00 -50.00 -70.39 -68.70 -69.29 2.26 32 0 "[ . 1 . 2 . 3 ]"
38 PSI 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 TYR N -52.00 -32.00 -40.92 -39.82 -40.61 . . 0 "[ . 1 . 2 . 3 ]"
39 PHI 1 49 LEU C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -83.00 -55.00 -63.93 -83.65 -51.73 3.27 9 0 "[ . 1 . 2 . 3 ]"
40 PSI 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 PHE N -55.00 -35.00 -54.11 -54.74 -55.07 2.94 15 0 "[ . 1 . 2 . 3 ]"
41 PHI 1 50 TYR C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -74.00 -54.00 -73.75 -77.83 -68.80 3.83 8 0 "[ . 1 . 2 . 3 ]"
42 PSI 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 GLY N -56.00 -32.00 -42.72 -48.63 -29.10 2.90 1 0 "[ . 1 . 2 . 3 ]"
43 PHI 1 51 PHE C 1 52 GLY N 1 52 GLY CA 1 52 GLY C -84.00 -48.00 -65.75 -84.05 -46.67 1.33 1 0 "[ . 1 . 2 . 3 ]"
44 PSI 1 52 GLY N 1 52 GLY CA 1 52 GLY C 1 53 GLU N -69.00 -1.00 -57.40 -41.03 -53.28 4.13 20 0 "[ . 1 . 2 . 3 ]"
45 PHI 1 55 ASN C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -82.00 -46.00 -66.47 -68.46 -70.43 1.63 30 0 "[ . 1 . 2 . 3 ]"
46 PSI 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LYS N -65.00 -13.00 -19.67 -13.17 -14.48 2.74 4 0 "[ . 1 . 2 . 3 ]"
47 PHI 1 56 VAL C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -71.00 -51.00 -55.23 -72.47 -48.15 2.85 8 0 "[ . 1 . 2 . 3 ]"
48 PSI 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 GLY N -53.00 -29.00 -39.92 -45.91 -50.27 . . 0 "[ . 1 . 2 . 3 ]"
49 PHI 1 57 LYS C 1 58 GLY N 1 58 GLY CA 1 58 GLY C -74.00 -54.00 -56.25 -70.44 -50.32 3.68 32 0 "[ . 1 . 2 . 3 ]"
50 PSI 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 MET N -53.00 -29.00 -53.10 -57.41 -39.58 4.41 4 0 "[ . 1 . 2 . 3 ]"
51 PHI 1 58 GLY C 1 59 MET N 1 59 MET CA 1 59 MET C -73.00 -53.00 -56.83 -67.75 -51.49 1.51 9 0 "[ . 1 . 2 . 3 ]"
52 PSI 1 59 MET N 1 59 MET CA 1 59 MET C 1 60 PHE N -54.00 -34.00 -47.87 -44.68 -46.93 2.86 3 0 "[ . 1 . 2 . 3 ]"
53 PHI 1 59 MET C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -76.00 -48.00 -60.59 -73.12 -49.29 . . 0 "[ . 1 . 2 . 3 ]"
54 PSI 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 GLU N -52.00 -32.00 -40.20 -39.34 -39.55 . . 0 "[ . 1 . 2 . 3 ]"
55 PHI 1 60 PHE C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -75.00 -55.00 -75.29 -76.94 -67.02 1.94 3 0 "[ . 1 . 2 . 3 ]"
56 PSI 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 VAL N -58.00 -18.00 -14.65 -13.79 -14.02 4.76 16 0 "[ . 1 . 2 . 3 ]"
57 PHI 1 61 GLU C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -92.00 -52.00 -84.90 -84.15 -84.41 . . 0 "[ . 1 . 2 . 3 ]"
58 PSI 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 LEU N -53.00 -29.00 -44.30 -46.98 -41.93 . . 0 "[ . 1 . 2 . 3 ]"
59 PHI 1 62 VAL C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -74.00 -54.00 -77.06 -76.19 -76.19 4.21 22 0 "[ . 1 . 2 . 3 ]"
60 PSI 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 GLU N -52.00 -32.00 -44.10 -46.95 -39.21 . . 0 "[ . 1 . 2 . 3 ]"
61 PHI 1 63 LEU C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -81.00 -37.00 -36.50 -34.93 -35.11 3.08 17 0 "[ . 1 . 2 . 3 ]"
62 PSI 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 PRO N -58.00 -30.00 -55.02 -56.28 -56.66 . . 0 "[ . 1 . 2 . 3 ]"
63 PHI 1 65 PRO C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -80.00 -52.00 -48.84 -50.05 -47.76 4.24 29 0 "[ . 1 . 2 . 3 ]"
64 PSI 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 HIS N -53.00 -25.00 -55.94 -56.70 -56.93 4.73 27 0 "[ . 1 . 2 . 3 ]"
65 PHI 1 66 LEU C 1 67 HIS N 1 67 HIS CA 1 67 HIS C -72.00 -52.00 -59.98 -58.55 -58.78 . . 0 "[ . 1 . 2 . 3 ]"
66 PSI 1 67 HIS N 1 67 HIS CA 1 67 HIS C 1 68 ALA N -52.00 -32.00 -52.03 -53.70 -46.94 1.70 28 0 "[ . 1 . 2 . 3 ]"
67 PHI 1 67 HIS C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -73.00 -49.00 -51.57 -54.96 -49.43 . . 0 "[ . 1 . 2 . 3 ]"
68 PSI 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 MET N -58.00 -30.00 -50.03 -47.21 -48.14 . . 0 "[ . 1 . 2 . 3 ]"
69 PHI 1 68 ALA C 1 69 MET N 1 69 MET CA 1 69 MET C -76.00 -52.00 -51.15 -52.44 -49.98 2.02 9 0 "[ . 1 . 2 . 3 ]"
70 PSI 1 69 MET N 1 69 MET CA 1 69 MET C 1 70 MET N -57.00 -33.00 -38.52 -41.55 -35.84 . . 0 "[ . 1 . 2 . 3 ]"
71 PHI 1 69 MET C 1 70 MET N 1 70 MET CA 1 70 MET C -79.00 -51.00 -68.89 -70.32 -70.39 . . 0 "[ . 1 . 2 . 3 ]"
72 PSI 1 70 MET N 1 70 MET CA 1 70 MET C 1 71 GLU N -53.00 -25.00 -33.14 -45.86 -25.87 . . 0 "[ . 1 . 2 . 3 ]"
73 PHI 1 70 MET C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -77.00 -45.00 -74.41 -73.40 -74.16 1.53 10 0 "[ . 1 . 2 . 3 ]"
74 PSI 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 ARG N -62.00 -22.00 -63.65 -63.36 -63.43 2.80 8 0 "[ . 1 . 2 . 3 ]"
75 PHI 1 71 GLU C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -95.00 -55.00 -71.30 -74.92 -64.39 . . 0 "[ . 1 . 2 . 3 ]"
76 PSI 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 GLY N -39.00 5.00 -20.99 -19.88 -20.71 0.19 31 0 "[ . 1 . 2 . 3 ]"
77 PHI 1 74 PRO C 1 75 GLN N 1 75 GLN CA 1 75 GLN C -180.00 -40.00 -149.73 -142.86 -143.36 3.91 15 0 "[ . 1 . 2 . 3 ]"
78 PSI 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 THR N -80.00 -160.00 -73.16 -77.33 -78.07 4.23 4 0 "[ . 1 . 2 . 3 ]"
79 PHI 1 76 THR C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -69.00 -49.00 -57.27 -51.16 -53.78 1.92 31 0 "[ . 1 . 2 . 3 ]"
80 PSI 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 LYS N -52.00 -28.00 -28.72 -29.47 -30.76 1.89 22 0 "[ . 1 . 2 . 3 ]"
81 PHI 1 77 LEU C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -82.00 -54.00 -69.04 -77.83 -60.17 . . 0 "[ . 1 . 2 . 3 ]"
82 PSI 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 GLU N -61.00 -13.00 -42.74 -61.80 -32.45 0.80 29 0 "[ . 1 . 2 . 3 ]"
83 PHI 1 78 LYS C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -87.00 -47.00 -74.93 -78.90 -81.40 0.81 6 0 "[ . 1 . 2 . 3 ]"
84 PSI 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 THR N -60.00 -20.00 -22.81 -20.26 -20.64 1.53 10 0 "[ . 1 . 2 . 3 ]"
85 PHI 1 79 GLU C 1 80 THR N 1 80 THR CA 1 80 THR C -75.00 -55.00 -56.11 -54.34 -54.41 1.49 18 0 "[ . 1 . 2 . 3 ]"
86 PSI 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 SER N -59.00 -27.00 -33.75 -29.62 -32.17 0.55 7 0 "[ . 1 . 2 . 3 ]"
87 PHI 1 80 THR C 1 81 SER N 1 81 SER CA 1 81 SER C -74.00 -54.00 -68.78 -74.89 -53.40 0.89 17 0 "[ . 1 . 2 . 3 ]"
88 PSI 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 PHE N -52.00 -28.00 -37.64 -52.16 -29.93 0.16 31 0 "[ . 1 . 2 . 3 ]"
89 PHI 1 81 SER C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -72.00 -52.00 -66.50 -65.51 -65.73 2.27 16 0 "[ . 1 . 2 . 3 ]"
90 PSI 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 ASN N -53.00 -33.00 -52.00 -53.64 -53.81 1.51 22 0 "[ . 1 . 2 . 3 ]"
91 PHI 1 82 PHE C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -73.00 -49.00 -62.04 -73.22 -48.63 0.37 32 0 "[ . 1 . 2 . 3 ]"
92 PSI 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 GLN N -51.00 -31.00 -30.33 -29.30 -29.47 3.14 28 0 "[ . 1 . 2 . 3 ]"
93 PHI 1 83 ASN C 1 84 GLN N 1 84 GLN CA 1 84 GLN C -77.00 -49.00 -78.63 -81.04 -74.55 4.04 22 0 "[ . 1 . 2 . 3 ]"
94 PSI 1 84 GLN N 1 84 GLN CA 1 84 GLN C 1 85 ALA N -55.00 -27.00 -48.21 -55.20 -35.34 0.20 31 0 "[ . 1 . 2 . 3 ]"
95 PHI 1 84 GLN C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -91.00 -43.00 -46.57 -44.37 -47.25 1.76 30 0 "[ . 1 . 2 . 3 ]"
96 PSI 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 TYR N -54.00 -22.00 -44.08 -54.16 -24.78 0.16 27 0 "[ . 1 . 2 . 3 ]"
97 PHI 1 85 ALA C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -122.00 -66.00 -98.97 -96.48 -97.80 . . 0 "[ . 1 . 2 . 3 ]"
98 PSI 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 GLY N -52.00 36.00 -18.07 -14.40 -14.66 . . 0 "[ . 1 . 2 . 3 ]"
99 PHI 1 87 GLY C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -80.00 -48.00 -77.90 -79.09 -79.40 1.59 23 0 "[ . 1 . 2 . 3 ]"
100 PSI 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 ASP N -60.00 -20.00 -44.95 -56.67 -26.24 . . 0 "[ . 1 . 2 . 3 ]"
101 PHI 1 88 ARG C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -79.00 -51.00 -59.08 -54.05 -55.17 1.77 11 0 "[ . 1 . 2 . 3 ]"
102 PSI 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 LEU N -68.00 -12.00 -57.07 -58.09 -58.69 . . 0 "[ . 1 . 2 . 3 ]"
103 PHI 1 89 ASP C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -77.00 -53.00 -52.99 -52.48 -52.53 2.07 27 0 "[ . 1 . 2 . 3 ]"
104 PSI 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 MET N -49.00 -29.00 -39.64 -38.16 -39.15 . . 0 "[ . 1 . 2 . 3 ]"
105 PHI 1 90 LEU C 1 91 MET N 1 91 MET CA 1 91 MET C -75.00 -51.00 -58.15 -69.08 -50.49 0.51 20 0 "[ . 1 . 2 . 3 ]"
106 PSI 1 91 MET N 1 91 MET CA 1 91 MET C 1 92 GLU N -51.00 -27.00 -47.63 -53.84 -40.58 2.84 25 0 "[ . 1 . 2 . 3 ]"
107 PHI 1 91 MET C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -86.00 -46.00 -65.69 -63.52 -64.18 . . 0 "[ . 1 . 2 . 3 ]"
108 PSI 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 ALA N -61.00 -17.00 -54.40 -54.96 -55.92 0.39 9 0 "[ . 1 . 2 . 3 ]"
109 PHI 1 92 GLU C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -82.00 -54.00 -54.40 -54.31 -54.86 1.64 3 0 "[ . 1 . 2 . 3 ]"
110 PSI 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 GLN N -52.00 -32.00 -42.09 -39.34 -40.27 . . 0 "[ . 1 . 2 . 3 ]"
111 PHI 1 93 ALA C 1 94 GLN N 1 94 GLN CA 1 94 GLN C -72.00 -52.00 -59.90 -65.60 -53.73 . . 0 "[ . 1 . 2 . 3 ]"
112 PSI 1 94 GLN N 1 94 GLN CA 1 94 GLN C 1 95 GLU N -56.00 -28.00 -39.83 -40.22 -41.01 . . 0 "[ . 1 . 2 . 3 ]"
113 PHI 1 94 GLN C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -75.00 -55.00 -63.88 -64.29 -64.64 . . 0 "[ . 1 . 2 . 3 ]"
114 PSI 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 TRP N -51.00 -27.00 -37.54 -40.84 -33.58 . . 0 "[ . 1 . 2 . 3 ]"
115 PHI 1 95 GLU C 1 96 TRP N 1 96 TRP CA 1 96 TRP C -80.00 -56.00 -70.92 -76.87 -64.70 . . 0 "[ . 1 . 2 . 3 ]"
116 PSI 1 96 TRP N 1 96 TRP CA 1 96 TRP C 1 97 CYS N -61.00 -25.00 -29.88 -37.03 -21.00 4.00 12 0 "[ . 1 . 2 . 3 ]"
117 PHI 1 96 TRP C 1 97 CYS N 1 97 CYS CA 1 97 CYS C -83.00 -47.00 -66.41 -67.67 -68.60 . . 0 "[ . 1 . 2 . 3 ]"
118 PSI 1 97 CYS N 1 97 CYS CA 1 97 CYS C 1 98 ARG N -58.00 -22.00 -56.06 -52.23 -55.55 2.34 12 0 "[ . 1 . 2 . 3 ]"
119 PHI 1 97 CYS C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -75.00 -55.00 -60.54 -67.08 -54.14 0.86 31 0 "[ . 1 . 2 . 3 ]"
120 PSI 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 LYS N -56.00 -28.00 -35.63 -46.89 -27.36 0.64 12 0 "[ . 1 . 2 . 3 ]"
121 PHI 1 98 ARG C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -78.00 -50.00 -63.08 -57.71 -59.54 0.30 6 0 "[ . 1 . 2 . 3 ]"
122 PSI 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 TYR N -54.00 -30.00 -41.30 -54.91 -31.57 0.91 8 0 "[ . 1 . 2 . 3 ]"
123 PHI 1 99 LYS C 1 100 TYR N 1 100 TYR CA 1 100 TYR C -79.00 -51.00 -73.39 -70.07 -70.51 0.41 19 0 "[ . 1 . 2 . 3 ]"
124 PSI 1 100 TYR N 1 100 TYR CA 1 100 TYR C 1 101 MET N -52.00 -32.00 -43.49 -45.67 -46.13 1.04 3 0 "[ . 1 . 2 . 3 ]"
125 PHI 1 100 TYR C 1 101 MET N 1 101 MET CA 1 101 MET C -79.00 -47.00 -60.41 -58.55 -59.70 0.82 6 0 "[ . 1 . 2 . 3 ]"
126 PSI 1 101 MET N 1 101 MET CA 1 101 MET C 1 102 LYS N -59.00 -15.00 -35.35 -50.06 -25.91 . . 0 "[ . 1 . 2 . 3 ]"
127 PHI 1 101 MET C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -95.00 -51.00 -80.84 -72.55 -84.83 1.18 27 0 "[ . 1 . 2 . 3 ]"
128 PSI 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 SER N -56.00 -4.00 -53.15 -59.51 -21.44 3.51 2 0 "[ . 1 . 2 . 3 ]"
129 PHI 1 102 LYS C 1 103 SER N 1 103 SER CA 1 103 SER C -180.00 -40.00 -109.12 176.66 -62.97 3.34 18 0 "[ . 1 . 2 . 3 ]"
130 PSI 1 103 SER N 1 103 SER CA 1 103 SER C 1 104 GLY N -80.00 -160.00 -35.63 55.43 -47.25 . . 0 "[ . 1 . 2 . 3 ]"
131 PHI 1 105 ASN C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -71.80 -46.40 -53.63 -52.46 -53.63 0.87 22 0 "[ . 1 . 2 . 3 ]"
132 PSI 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 LYS N -60.60 -6.30 -38.37 -40.56 -40.81 . . 0 "[ . 1 . 2 . 3 ]"
133 PHI 1 106 VAL C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -69.80 -49.80 -51.12 -49.41 -49.49 0.79 19 0 "[ . 1 . 2 . 3 ]"
134 PSI 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 ASP N -53.50 -26.50 -48.47 -47.13 -48.06 . . 0 "[ . 1 . 2 . 3 ]"
135 PHI 1 107 LYS C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -82.60 -52.20 -67.26 -75.93 -64.01 . . 0 "[ . 1 . 2 . 3 ]"
136 PSI 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 LEU N -72.30 -12.60 -39.10 -36.07 -36.92 . . 0 "[ . 1 . 2 . 3 ]"
137 PHI 1 108 ASP C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -74.20 -54.20 -61.92 -64.12 -64.14 0.64 12 0 "[ . 1 . 2 . 3 ]"
138 PSI 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 THR N -49.50 -27.50 -46.20 -50.01 -38.08 0.51 30 0 "[ . 1 . 2 . 3 ]"
139 PHI 1 109 LEU C 1 110 THR N 1 110 THR CA 1 110 THR C -87.50 -51.10 -60.06 -61.07 -61.10 . . 0 "[ . 1 . 2 . 3 ]"
140 PSI 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 GLN N -59.80 -22.90 -44.60 -43.45 -43.79 . . 0 "[ . 1 . 2 . 3 ]"
141 PHI 1 110 THR C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -70.30 -50.30 -57.45 -58.66 -59.80 . . 0 "[ . 1 . 2 . 3 ]"
142 PSI 1 111 GLN N 1 111 GLN CA 1 111 GLN C 1 112 ALA N -55.50 -32.30 -47.36 -52.75 -40.42 . . 0 "[ . 1 . 2 . 3 ]"
143 PHI 1 111 GLN C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -74.20 -54.20 -60.05 -58.90 -60.30 0.51 30 0 "[ . 1 . 2 . 3 ]"
144 PSI 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 TRP N -50.20 -30.20 -44.59 -50.46 -32.28 0.26 2 0 "[ . 1 . 2 . 3 ]"
145 PHI 1 112 ALA C 1 113 TRP N 1 113 TRP CA 1 113 TRP C -74.20 -54.20 -62.16 -61.05 -62.46 . . 0 "[ . 1 . 2 . 3 ]"
146 PSI 1 113 TRP N 1 113 TRP CA 1 113 TRP C 1 114 ASP N -51.20 -31.20 -33.57 -41.68 -29.48 1.72 31 0 "[ . 1 . 2 . 3 ]"
147 PHI 1 113 TRP C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -74.20 -53.00 -63.57 -67.18 -67.55 . . 0 "[ . 1 . 2 . 3 ]"
148 PSI 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 LEU N -50.10 -30.00 -50.21 -51.68 -47.36 1.58 28 0 "[ . 1 . 2 . 3 ]"
149 PHI 1 114 ASP C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -74.80 -54.80 -55.67 -54.76 -54.84 1.35 20 0 "[ . 1 . 2 . 3 ]"
150 PSI 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 TYR N -52.40 -28.20 -51.98 -55.06 -44.33 2.66 21 0 "[ . 1 . 2 . 3 ]"
151 PHI 1 115 LEU C 1 116 TYR N 1 116 TYR CA 1 116 TYR C -74.90 -54.90 -55.95 -63.79 -53.17 1.73 6 0 "[ . 1 . 2 . 3 ]"
152 PSI 1 116 TYR N 1 116 TYR CA 1 116 TYR C 1 117 TYR N -55.10 -33.30 -53.97 -54.82 -54.95 2.82 29 0 "[ . 1 . 2 . 3 ]"
153 PHI 1 116 TYR C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -83.20 -50.50 -48.77 -48.52 -48.71 3.15 31 0 "[ . 1 . 2 . 3 ]"
154 PSI 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 HIS N -55.00 -23.30 -39.59 -37.14 -37.63 . . 0 "[ . 1 . 2 . 3 ]"
155 PHI 1 117 TYR C 1 118 HIS N 1 118 HIS CA 1 118 HIS C -77.90 -55.30 -62.64 -70.71 -57.08 . . 0 "[ . 1 . 2 . 3 ]"
156 PSI 1 118 HIS N 1 118 HIS CA 1 118 HIS C 1 119 VAL N -54.40 -26.80 -48.27 -55.67 -37.88 1.27 20 0 "[ . 1 . 2 . 3 ]"
157 PHI 1 118 HIS C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -75.80 -55.80 -68.35 -68.67 -69.53 2.27 10 0 "[ . 1 . 2 . 3 ]"
158 PSI 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 PHE N -55.00 -35.00 -48.00 -45.92 -47.46 3.26 31 0 "[ . 1 . 2 . 3 ]"
159 PHI 1 119 VAL C 1 120 PHE N 1 120 PHE CA 1 120 PHE C -73.60 -49.50 -64.63 -73.04 -57.39 . . 0 "[ . 1 . 2 . 3 ]"
160 PSI 1 120 PHE N 1 120 PHE CA 1 120 PHE C 1 121 ARG N -51.70 -31.70 -29.84 -29.86 -30.05 4.94 31 0 "[ . 1 . 2 . 3 ]"
161 PHI 1 120 PHE C 1 121 ARG N 1 121 ARG CA 1 121 ARG C -78.80 -51.00 -77.03 -82.45 -73.93 3.65 29 0 "[ . 1 . 2 . 3 ]"
162 PSI 1 121 ARG N 1 121 ARG CA 1 121 ARG C 1 122 ARG N -58.50 -23.50 -32.05 -34.33 -35.00 . . 0 "[ . 1 . 2 . 3 ]"
163 PHI 1 121 ARG C 1 122 ARG N 1 122 ARG CA 1 122 ARG C -77.60 -56.00 -69.48 -78.45 -60.37 0.85 26 0 "[ . 1 . 2 . 3 ]"
164 PSI 1 122 ARG N 1 122 ARG CA 1 122 ARG C 1 123 ILE N -50.10 -26.00 -51.47 -52.44 -50.25 2.34 5 0 "[ . 1 . 2 . 3 ]"
165 PHI 1 122 ARG C 1 123 ILE N 1 123 ILE CA 1 123 ILE C -103.00 -43.00 -45.60 -45.36 -46.22 0.91 18 0 "[ . 1 . 2 . 3 ]"
166 PSI 1 123 ILE N 1 123 ILE CA 1 123 ILE C 1 124 SER N -60.00 -4.00 -32.47 -31.97 -32.49 . . 0 "[ . 1 . 2 . 3 ]"
167 PHI 1 123 ILE C 1 124 SER N 1 124 SER CA 1 124 SER C -125.00 -29.00 -86.10 -97.81 -77.38 . . 0 "[ . 1 . 2 . 3 ]"
168 PSI 1 124 SER N 1 124 SER CA 1 124 SER C 1 125 LYS N -62.00 2.00 -52.11 -59.48 -43.73 . . 0 "[ . 1 . 2 . 3 ]"
169 PHI 1 124 SER C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -180.00 -40.00 -43.01 -43.67 -47.44 0.19 24 0 "[ . 1 . 2 . 3 ]"
170 PSI 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 GLN N -80.00 -160.00 132.87 -83.96 167.93 3.96 13 0 "[ . 1 . 2 . 3 ]"
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