NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587580 |
2mwi   |
25326 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mwi
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 166
_TA_constraint_stats_list.Viol_count 2673
_TA_constraint_stats_list.Viol_total 156180.28
_TA_constraint_stats_list.Viol_max 5.06
_TA_constraint_stats_list.Viol_rms 0.57
_TA_constraint_stats_list.Viol_average_all_restraints 0.22
_TA_constraint_stats_list.Viol_average_violations_only 0.90
_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 8 TRP C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -130.00 -42.00 -130.58 -130.98 -128.56 0.98 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
2 PSI 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 PRO N 72.00 -160.00 101.73 102.50 102.39 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
3 PHI 1 10 PRO C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -140.00 36.00 -73.42 -72.78 -72.94 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
4 PSI 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 ARG N -52.00 8.00 -33.72 -34.95 -35.15 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
5 PHI 1 11 ALA C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -113.00 -45.00 -59.43 -62.96 -57.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
6 PSI 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 LEU N -70.00 30.00 -20.45 -22.66 -16.72 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
7 PHI 1 12 ARG C 1 13 LEU N 1 13 LEU CA 1 13 LEU C 179.00 -41.00 -61.04 -68.19 -58.28 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
8 PSI 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 ASN N 12.00 -132.00 151.31 143.66 158.65 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
9 PHI 1 14 ASN C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -95.00 -27.00 -75.31 -71.08 -71.27 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
10 PSI 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 SER N -62.00 18.00 -10.67 -22.81 1.72 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
11 PHI 1 15 GLU C 1 16 SER N 1 16 SER CA 1 16 SER C -173.00 -37.00 -129.15 -128.12 -128.83 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
12 PSI 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 THR N 16.00 -140.00 31.28 18.80 42.17 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
13 PHI 1 18 THR C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -166.30 -62.10 -132.25 -132.75 -132.84 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
14 PSI 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 VAL N 125.50 177.90 143.89 141.29 140.65 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
15 PHI 1 19 PHE C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -144.30 -116.50 -117.30 -126.13 -115.29 1.21 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
16 PSI 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 LEU N 126.20 175.40 137.10 134.79 133.77 0.62 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
17 PHI 1 20 VAL C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -165.00 -33.00 -104.12 -152.22 -67.02 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
18 PSI 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLY N 85.00 -175.00 165.43 82.98 -174.94 2.02 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
19 PHI 1 24 ARG C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -74.70 -51.60 -62.36 -62.46 -65.64 0.59 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
20 PSI 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 ASN N -59.80 -17.20 -25.57 -25.38 -25.58 0.61 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
21 PHI 1 25 ALA C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -73.20 -53.20 -57.89 -53.22 -53.27 0.75 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
22 PSI 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 LYS N -56.80 -36.80 -44.53 -58.75 -35.10 1.95 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
23 PHI 1 26 ASN C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -71.80 -51.80 -56.18 -75.93 -50.90 4.13 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
24 PSI 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ALA N -63.50 -26.00 -38.09 -39.15 -41.88 0.26 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
25 PHI 1 27 LYS C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -81.10 -49.30 -68.72 -82.39 -51.57 1.29 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
26 PSI 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 LEU N -52.80 -14.00 -29.50 -54.70 -13.46 1.90 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
27 PHI 1 28 ALA C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -109.10 -66.80 -107.32 -109.22 -109.23 1.70 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
28 PSI 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLY N -36.50 38.40 33.06 -0.05 39.18 0.78 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
29 PHI 1 30 GLY C 1 31 MET N 1 31 MET CA 1 31 MET C -130.00 -63.20 -98.21 -130.74 -62.99 0.74 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
30 PSI 1 31 MET N 1 31 MET CA 1 31 MET C 1 32 GLY N -40.70 39.80 -2.30 3.70 -24.95 0.02 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
31 PHI 1 36 GLY C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -71.60 -48.40 -59.62 -57.09 -57.63 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
32 PSI 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 ILE N -60.60 -15.10 -20.26 -28.14 -14.59 0.51 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
33 PHI 1 37 ARG C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -91.40 -43.40 -78.58 -85.49 -70.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
34 PSI 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 TYR N -57.40 -16.40 -23.37 -27.33 -21.48 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
35 PHI 1 38 ILE C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -108.30 -51.00 -105.87 -108.84 -94.60 0.54 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
36 PSI 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 ILE N -45.40 19.80 8.39 -7.48 18.51 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
37 PHI 1 39 TYR C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -166.00 26.00 -142.04 -146.79 -124.12 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
38 PSI 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 LYS N -118.00 110.00 -61.40 -65.55 -54.79 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
39 PHI 1 40 ILE C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -94.10 -63.40 -66.60 -65.17 -65.57 0.23 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
40 PSI 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 HIS N -57.10 -5.90 -22.33 -25.48 -26.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
41 PHI 1 41 LYS C 1 42 HIS N 1 42 HIS CA 1 42 HIS C -161.60 -76.00 -120.00 -134.07 -113.22 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
42 PSI 1 42 HIS N 1 42 HIS CA 1 42 HIS C 1 43 PRO N 49.20 110.10 73.15 74.07 73.84 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
43 PHI 1 44 HIS C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -100.00 -60.00 -70.31 -59.95 -81.18 0.52 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
44 PSI 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 PHE N 102.00 158.00 114.29 112.08 111.85 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
45 PHI 1 45 LEU C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -100.00 -52.00 -52.04 -58.40 -51.53 0.47 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
46 PSI 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 LYS N 119.00 147.00 138.18 138.30 138.02 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
47 PHI 1 46 PHE C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -150.00 -86.00 -148.42 -151.61 -143.80 1.61 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
48 PSI 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 TYR N 109.00 157.00 122.90 114.36 149.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
49 PHI 1 47 LYS C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -150.00 -82.00 -108.42 -109.82 -111.29 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
50 PSI 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 ALA N 100.00 144.00 117.40 114.04 113.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
51 PHI 1 48 TYR C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -130.00 -66.00 -67.96 -75.58 -64.85 1.15 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
52 PSI 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ALA N 77.00 149.00 130.49 130.86 130.62 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
53 PHI 1 49 ALA C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -110.00 -78.00 -78.04 -77.81 -77.82 2.10 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
54 PSI 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 ASP N 101.00 141.00 100.00 99.20 100.83 1.80 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
55 PHI 1 50 ALA C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -119.00 -51.00 -54.33 -53.12 -53.25 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
56 PSI 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 PRO N -5.00 -137.00 167.46 165.95 169.71 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
57 PHI 1 52 PRO C 1 53 GLN N 1 53 GLN CA 1 53 GLN C -81.00 -53.00 -83.14 -83.83 -82.89 2.83 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
58 PSI 1 53 GLN N 1 53 GLN CA 1 53 GLN C 1 54 ASP N -53.00 -21.00 -32.40 -34.33 -27.04 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
59 PHI 1 53 GLN C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -74.00 -54.00 -75.87 -76.28 -75.63 2.28 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
60 PSI 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 LYS N -55.00 -35.00 -34.38 -34.23 -34.26 2.37 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
61 PHI 1 54 ASP C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -70.00 -50.00 -48.28 -48.58 -48.62 2.40 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
62 PSI 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 HIS N -58.00 -34.00 -33.40 -33.48 -33.50 1.31 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
63 PHI 1 55 LYS C 1 56 HIS N 1 56 HIS CA 1 56 HIS C -72.00 -52.00 -57.06 -58.73 -53.88 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
64 PSI 1 56 HIS N 1 56 HIS CA 1 56 HIS C 1 57 TRP N -60.00 -36.00 -45.17 -46.61 -46.79 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
65 PHI 1 56 HIS C 1 57 TRP N 1 57 TRP CA 1 57 TRP C -74.00 -50.00 -74.30 -74.20 -74.21 0.75 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
66 PSI 1 57 TRP N 1 57 TRP CA 1 57 TRP C 1 58 LEU N -55.00 -35.00 -48.82 -48.13 -48.14 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
67 PHI 1 57 TRP C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -69.00 -49.00 -55.46 -59.85 -48.52 0.48 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
68 PSI 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ALA N -57.00 -33.00 -33.80 -36.25 -36.42 3.69 62 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
69 PHI 1 58 LEU C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -75.00 -55.00 -57.40 -70.00 -50.84 4.16 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
70 PSI 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 GLU N -53.00 -33.00 -40.10 -51.07 -33.11 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
71 PHI 1 59 ALA C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -72.00 -52.00 -65.67 -75.92 -51.78 3.92 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
72 PSI 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 GLN N -54.00 -34.00 -34.31 -40.70 -31.49 2.51 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
73 PHI 1 60 GLU C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -86.00 -42.00 -76.90 -73.71 -75.92 0.17 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
74 PSI 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 HIS N -45.00 -9.00 -32.56 -48.03 -21.36 3.03 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
75 PHI 1 61 GLN C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -116.00 -80.00 -84.73 -116.63 -79.14 0.86 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
76 PSI 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 HIS N -56.00 68.00 -28.01 -29.92 -30.77 1.37 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
77 PHI 1 62 HIS C 1 63 HIS N 1 63 HIS CA 1 63 HIS C 40.00 80.00 60.28 45.94 64.65 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
78 PSI 1 63 HIS N 1 63 HIS CA 1 63 HIS C 1 64 MET N 14.00 46.00 32.71 30.77 30.70 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
79 PHI 1 65 ARG C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -103.00 -59.00 -85.33 -102.87 -59.38 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
80 PSI 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 THR N 92.00 172.00 138.03 126.39 122.85 0.06 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
81 PHI 1 66 ALA C 1 67 THR N 1 67 THR CA 1 67 THR C -82.00 -34.00 -68.07 -82.23 -52.63 0.23 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
82 PSI 1 67 THR N 1 67 THR CA 1 67 THR C 1 68 GLY N -67.00 -27.00 -45.23 -37.37 -39.87 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
83 PHI 1 70 LYS C 1 71 MET N 1 71 MET CA 1 71 MET C -122.00 -66.00 -96.15 -122.08 -67.21 0.08 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
84 PSI 1 71 MET N 1 71 MET CA 1 71 MET C 1 72 ALA N 76.00 164.00 124.17 88.44 163.43 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
85 PHI 1 71 MET C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -141.00 -61.00 -105.35 -141.14 -63.51 0.14 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
86 PSI 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 TYR N 107.00 167.00 149.29 111.36 167.11 0.11 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
87 PHI 1 72 ALA C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -150.00 -90.00 -136.64 -142.95 -144.98 0.14 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
88 PSI 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 LEU N 125.00 169.00 142.96 127.15 158.01 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
89 PHI 1 73 TYR C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -174.00 -94.00 -101.97 -98.33 -98.68 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
90 PSI 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 LEU N 114.00 174.00 114.32 113.61 113.59 1.30 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
91 PHI 1 74 LEU C 1 75 LEU N 1 75 LEU CA 1 75 LEU C 176.00 -72.00 -126.61 -133.51 -122.59 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
92 PSI 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 ILE N 108.00 180.00 151.40 147.42 147.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
93 PHI 1 75 LEU C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -91.90 -47.80 -68.40 -92.92 -62.30 1.02 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
94 PSI 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 GLU N 106.50 155.70 126.20 122.52 121.70 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
95 PHI 1 76 ILE C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -72.30 -40.90 -57.02 -68.13 -49.79 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
96 PSI 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 GLU N -72.50 -17.90 -36.86 -35.25 -35.46 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
97 PHI 1 77 GLU C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -121.00 19.00 -58.95 -60.37 -56.70 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
98 PSI 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 ASP N -77.00 3.00 -34.84 -40.82 -31.83 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
99 PHI 1 78 GLU C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -74.70 -54.70 -74.38 -76.07 -68.69 1.37 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
100 PSI 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 ILE N -63.60 -17.50 -16.63 -16.79 -16.82 2.00 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
101 PHI 1 79 ASP C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -80.00 -60.00 -70.40 -74.74 -67.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
102 PSI 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 ARG N -48.00 -28.00 -43.63 -42.16 -42.86 0.22 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
103 PHI 1 80 ILE C 1 81 ARG N 1 81 ARG CA 1 81 ARG C -72.60 -52.60 -54.67 -67.17 -51.89 0.71 62 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
104 PSI 1 81 ARG N 1 81 ARG CA 1 81 ARG C 1 82 ASP N -51.80 -31.80 -31.15 -31.68 -30.50 1.30 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
105 PHI 1 81 ARG C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -75.00 -51.00 -73.79 -75.80 -71.88 0.80 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
106 PSI 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 LEU N -53.00 -29.00 -53.46 -54.15 -52.17 1.15 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
107 PHI 1 82 ASP C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -82.00 -50.00 -63.75 -65.88 -60.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
108 PSI 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 ALA N -59.00 -27.00 -26.79 -28.98 -25.52 1.48 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
109 PHI 1 83 LEU C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -73.00 -53.00 -60.69 -61.01 -61.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
110 PSI 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 ALA N -55.00 -15.00 -17.50 -19.65 -15.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
111 PHI 1 84 ALA C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -126.00 -62.00 -90.25 -93.57 -85.02 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
112 PSI 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 SER N -44.00 28.00 17.38 21.02 20.78 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
113 PHI 1 86 SER C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -73.00 -53.00 -67.80 -75.58 -53.06 2.58 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
114 PSI 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 ASP N -44.00 -24.00 -30.67 -31.09 -31.32 0.47 34 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
115 PHI 1 87 ASP C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -101.00 -61.00 -100.95 -101.03 -101.12 1.69 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
116 PSI 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 TYR N -60.00 -8.00 -53.76 -60.89 -48.40 0.89 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
117 PHI 1 88 ASP C 1 89 TYR N 1 89 TYR CA 1 89 TYR C -110.00 -50.00 -53.57 -52.81 -53.16 1.57 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
118 PSI 1 89 TYR N 1 89 TYR CA 1 89 TYR C 1 90 ARG N -62.00 -14.00 -25.01 -32.27 -21.94 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
119 PHI 1 92 CYS C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -115.00 -43.00 -58.07 -55.91 -55.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
120 PSI 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ASP N -81.00 19.00 -23.14 -27.42 2.86 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
121 PHI 1 94 ASP C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -100.00 -44.00 -98.89 -102.25 -84.35 2.25 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
122 PSI 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 LYS N 111.00 155.00 119.69 110.83 134.71 0.17 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
123 PHI 1 96 LYS C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -75.00 -51.00 -64.36 -60.31 -61.76 0.94 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
124 PSI 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 GLU N -49.00 -21.00 -24.44 -29.55 -20.69 0.31 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
125 PHI 1 97 LEU C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -82.00 -50.00 -57.68 -56.38 -57.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
126 PSI 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 GLU N -59.00 5.00 -31.80 -42.67 -23.37 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
127 PHI 1 98 GLU C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -127.00 -63.00 -103.11 -106.27 -106.49 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
128 PSI 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 LEU N -43.00 37.00 36.58 32.58 37.42 0.42 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
129 PHI 1 99 GLU C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -157.00 31.00 -67.55 -67.59 -68.02 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
130 PSI 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 LYS N -81.00 39.00 -13.00 -18.43 -6.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
131 PHI 1 101 LYS C 1 102 SER N 1 102 SER CA 1 102 SER C -135.00 -75.00 -73.17 -73.73 -71.83 3.17 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
132 PSI 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 PHE N 142.00 -178.00 154.94 153.87 153.62 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
133 PHI 1 102 SER C 1 103 PHE N 1 103 PHE CA 1 103 PHE C 172.00 -92.00 -152.76 -152.98 -153.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
134 PSI 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 VAL N 149.00 173.00 148.96 148.59 148.56 1.08 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
135 PHI 1 103 PHE C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -170.00 -74.00 -80.24 -81.72 -81.78 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
136 PSI 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 LEU N 127.00 -173.00 130.28 128.80 128.70 0.27 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
137 PHI 1 104 VAL C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -163.00 -51.00 -65.76 -71.03 -60.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
138 PSI 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 PRO N 71.00 -165.00 150.34 142.81 152.96 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
139 PHI 1 106 PRO C 1 107 SER N 1 107 SER CA 1 107 SER C -72.00 -44.00 -68.69 -71.31 -67.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
140 PSI 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 TRP N -58.00 -10.00 -8.78 -8.77 -8.79 2.45 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
141 PHI 1 107 SER C 1 108 TRP N 1 108 TRP CA 1 108 TRP C -126.00 -46.00 -92.09 -93.79 -91.11 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
142 PSI 1 108 TRP N 1 108 TRP CA 1 108 TRP C 1 109 MET N -52.00 52.00 -51.71 -53.37 -43.67 1.37 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
143 PHI 1 108 TRP C 1 109 MET N 1 109 MET CA 1 109 MET C -76.00 -56.00 -64.95 -64.12 -64.15 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
144 PSI 1 109 MET N 1 109 MET CA 1 109 MET C 1 110 VAL N -57.00 -33.00 -42.42 -43.44 -39.92 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
145 PHI 1 109 MET C 1 110 VAL N 1 110 VAL CA 1 110 VAL C -76.00 -56.00 -52.78 -52.81 -52.82 5.06 65 1 "[ . 1 . 2 . 3 . 4 . 5 . 6 +]"
146 PSI 1 110 VAL N 1 110 VAL CA 1 110 VAL C 1 111 GLU N -53.00 -33.00 -30.07 -32.92 -28.78 4.22 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
147 PHI 1 110 VAL C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -71.50 -51.50 -53.62 -53.49 -53.51 0.26 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
148 PSI 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 LYS N -57.20 -25.30 -54.08 -57.87 -46.76 0.67 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
149 PHI 1 111 GLU C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -74.40 -54.40 -74.95 -74.84 -74.87 2.43 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
150 PSI 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 MET N -54.10 -28.20 -30.81 -26.12 -26.13 2.39 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
151 PHI 1 112 LYS C 1 113 MET N 1 113 MET CA 1 113 MET C -75.10 -55.10 -65.80 -69.17 -69.23 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
152 PSI 1 113 MET N 1 113 MET CA 1 113 MET C 1 114 ARG N -51.90 -31.90 -33.61 -40.12 -31.02 0.88 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
153 PHI 1 113 MET C 1 114 ARG N 1 114 ARG CA 1 114 ARG C -73.40 -53.40 -73.39 -73.60 -73.62 1.27 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
154 PSI 1 114 ARG N 1 114 ARG CA 1 114 ARG C 1 115 LYS N -55.50 -30.90 -56.03 -57.00 -52.28 1.50 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
155 PHI 1 114 ARG C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -76.20 -48.40 -60.77 -60.66 -60.80 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
156 PSI 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 TYR N -52.90 -26.70 -26.18 -26.27 -26.34 2.37 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
157 PHI 1 115 LYS C 1 116 TYR N 1 116 TYR CA 1 116 TYR C -78.70 -54.00 -76.00 -79.34 -70.46 0.64 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
158 PSI 1 116 TYR N 1 116 TYR CA 1 116 TYR C 1 117 MET N -50.20 -30.20 -48.04 -48.59 -49.94 0.87 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
159 PHI 1 116 TYR C 1 117 MET N 1 117 MET CA 1 117 MET C -76.00 -44.00 -59.14 -67.16 -51.80 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
160 PSI 1 117 MET N 1 117 MET CA 1 117 MET C 1 118 GLU N -52.00 -32.00 -36.57 -42.51 -34.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
161 PHI 1 117 MET C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -74.00 -54.00 -53.03 -52.81 -52.86 1.54 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
162 PSI 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 THR N -49.00 -29.00 -27.81 -28.02 -28.10 3.18 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
163 PHI 1 118 GLU C 1 119 THR N 1 119 THR CA 1 119 THR C -120.00 -44.00 -67.76 -72.27 -64.06 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
164 PSI 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 LEU N -62.00 14.00 -38.29 -40.36 -35.62 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
165 PHI 1 119 THR C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -99.00 -43.00 -100.36 -103.55 -99.95 4.55 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
166 PSI 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 ARG N -72.00 4.00 4.00 4.38 4.35 1.11 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 .]"
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