NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575823 |
2me9   |
19521 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2me9
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 216
_TA_constraint_stats_list.Viol_count 508
_TA_constraint_stats_list.Viol_total 28251.61
_TA_constraint_stats_list.Viol_max 21.26
_TA_constraint_stats_list.Viol_rms 1.30
_TA_constraint_stats_list.Viol_average_all_restraints 0.33
_TA_constraint_stats_list.Viol_average_violations_only 2.78
_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 7 SER C 1 8 ASN N 1 8 ASN CA 1 8 ASN C -74.40 -50.50 -61.30 -71.40 -52.37 . . 0 "[ . 1 . 2]"
2 PSI 1 8 ASN N 1 8 ASN CA 1 8 ASN C 1 9 ARG N -55.60 -27.60 -44.68 -43.70 -44.58 . . 0 "[ . 1 . 2]"
3 PHI 1 8 ASN C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -73.90 -52.20 -63.14 -77.76 -54.55 3.86 13 0 "[ . 1 . 2]"
4 PSI 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 GLU N -58.20 -24.80 -38.14 -57.25 -24.72 0.08 13 0 "[ . 1 . 2]"
5 PHI 1 9 ARG C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -73.70 -53.70 -71.27 -67.74 -68.68 3.77 13 0 "[ . 1 . 2]"
6 PSI 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 LEU N -54.10 -20.30 -30.83 -51.36 -16.07 4.23 14 0 "[ . 1 . 2]"
7 PHI 1 10 GLU C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -78.10 -50.30 -67.36 -63.44 -64.08 2.15 14 0 "[ . 1 . 2]"
8 PSI 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 VAL N -49.20 -29.20 -41.99 -44.22 -45.23 . . 0 "[ . 1 . 2]"
9 PHI 1 11 LEU C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -80.30 -50.10 -73.55 -81.81 -64.68 1.51 20 0 "[ . 1 . 2]"
10 PSI 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 VAL N -54.50 -34.50 -38.90 -39.26 -40.08 . . 0 "[ . 1 . 2]"
11 PHI 1 12 VAL C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -71.70 -51.60 -68.16 -67.15 -67.81 6.63 18 1 "[ . 1 . + 2]"
12 PSI 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 ASP N -55.60 -30.80 -34.63 -39.10 -28.07 2.73 14 0 "[ . 1 . 2]"
13 PHI 1 13 VAL C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -78.00 -52.20 -75.41 -82.50 -62.86 4.50 14 0 "[ . 1 . 2]"
14 PSI 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 PHE N -52.10 -32.10 -46.24 -40.34 -42.06 2.61 14 0 "[ . 1 . 2]"
15 PHI 1 14 ASP C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -89.40 -43.00 -60.26 -60.26 -62.13 . . 0 "[ . 1 . 2]"
16 PSI 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 LEU N -56.90 -25.60 -33.81 -31.80 -33.27 . . 0 "[ . 1 . 2]"
17 PHI 1 16 LEU C 1 17 SER N 1 17 SER CA 1 17 SER C -76.30 -50.60 -58.78 -59.54 -60.44 4.05 12 0 "[ . 1 . 2]"
18 PSI 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 TYR N -50.30 -30.30 -30.81 -35.49 -25.45 4.85 9 0 "[ . 1 . 2]"
19 PHI 1 17 SER C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -73.30 -51.30 -68.10 -73.30 -62.97 0.00 18 0 "[ . 1 . 2]"
20 PSI 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 LYS N -54.10 -34.10 -51.00 -51.12 -51.41 3.99 7 0 "[ . 1 . 2]"
21 PHI 1 18 TYR C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -76.90 -54.10 -69.87 -72.90 -73.64 . . 0 "[ . 1 . 2]"
22 PSI 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 LEU N -53.90 -30.60 -31.92 -38.39 -27.34 3.26 5 0 "[ . 1 . 2]"
23 PHI 1 19 LYS C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -72.80 -52.30 -70.29 -61.20 -64.89 4.18 20 0 "[ . 1 . 2]"
24 PSI 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 SER N -52.50 -32.50 -45.79 -45.22 -45.54 2.34 17 0 "[ . 1 . 2]"
25 PHI 1 20 LEU C 1 21 SER N 1 21 SER CA 1 21 SER C -71.60 -51.60 -65.85 -76.61 -55.65 5.01 9 1 "[ . +1 . 2]"
26 PSI 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 GLN N -53.20 -29.40 -28.47 -36.75 -25.01 4.39 20 0 "[ . 1 . 2]"
27 PHI 1 21 SER C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -74.50 -54.50 -67.61 -78.88 -56.20 4.38 11 0 "[ . 1 . 2]"
28 PSI 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 LYS N -49.20 -10.60 -27.85 -11.61 -13.34 5.23 14 1 "[ . 1 +. 2]"
29 PHI 1 27 TRP C 1 28 SER N 1 28 SER CA 1 28 SER C -95.10 -40.80 -84.39 -101.61 -57.13 6.51 15 1 "[ . 1 + 2]"
30 PSI 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 GLN N -54.50 -9.60 -25.23 -39.74 -11.43 . . 0 "[ . 1 . 2]"
31 PHI 1 28 SER C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -84.40 -48.90 -68.95 -86.43 -53.74 2.03 15 0 "[ . 1 . 2]"
32 PSI 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 PHE N -52.90 -19.00 -45.29 -39.33 -41.89 0.23 17 0 "[ . 1 . 2]"
33 PHI 1 29 GLN C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -135.70 -55.20 -91.22 -110.45 -117.50 . . 0 "[ . 1 . 2]"
34 PSI 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 SER N -16.00 16.70 -9.60 -21.99 16.19 5.99 10 1 "[ . + . 2]"
35 PHI 1 39 GLU C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -121.50 -37.10 -93.06 -58.09 -82.27 1.90 15 0 "[ . 1 . 2]"
36 PSI 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 PRO N 93.20 -164.40 149.80 155.83 89.17 6.79 1 2 "[+ - 1 . 2]"
37 PHI 1 45 GLU C 1 46 SER N 1 46 SER CA 1 46 SER C -103.40 -40.20 -86.48 -90.06 -90.92 2.31 7 0 "[ . 1 . 2]"
38 PSI 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 GLU N -74.80 19.80 -16.27 15.86 14.13 . . 0 "[ . 1 . 2]"
39 PHI 1 46 SER C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -121.80 -52.90 -92.39 -119.95 -50.22 2.68 6 0 "[ . 1 . 2]"
40 PSI 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 MET N -65.60 52.90 -10.32 16.42 -24.39 . . 0 "[ . 1 . 2]"
41 PHI 1 49 GLU C 1 50 THR N 1 50 THR CA 1 50 THR C -135.10 -43.70 -89.72 -139.52 -43.04 4.42 7 0 "[ . 1 . 2]"
42 PSI 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 PRO N 79.30 -169.20 128.84 72.97 72.60 8.55 14 4 "[*- . * 1 +. 2]"
43 PHI 1 60 TRP C 1 61 HIS N 1 61 HIS CA 1 61 HIS C -99.00 -46.70 -88.48 -98.43 -68.41 . . 0 "[ . 1 . 2]"
44 PSI 1 61 HIS N 1 61 HIS CA 1 61 HIS C 1 62 LEU N -55.20 -13.30 -27.87 -53.66 -10.64 2.66 13 0 "[ . 1 . 2]"
45 PHI 1 64 ASP C 1 65 SER N 1 65 SER CA 1 65 SER C -172.20 -49.50 -123.65 -167.97 -53.63 . . 0 "[ . 1 . 2]"
46 PSI 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 PRO N 69.40 -152.10 155.20 155.41 65.72 3.68 1 0 "[ . 1 . 2]"
47 PHI 1 75 SER C 1 76 SER N 1 76 SER CA 1 76 SER C -103.00 -38.20 -72.93 -67.04 -78.49 . . 0 "[ . 1 . 2]"
48 PSI 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 SER N -69.40 19.10 -40.95 -70.27 14.23 0.87 6 0 "[ . 1 . 2]"
49 PHI 1 83 VAL C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -147.70 -25.40 -100.83 -139.27 -50.40 . . 0 "[ . 1 . 2]"
50 PSI 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 PRO N 111.30 174.70 130.45 130.50 129.07 3.57 7 0 "[ . 1 . 2]"
51 PHI 1 88 ALA C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -123.50 -39.70 -73.44 -73.40 -75.37 . . 0 "[ . 1 . 2]"
52 PSI 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LYS N -64.60 43.70 -34.17 -38.04 -41.92 . . 0 "[ . 1 . 2]"
53 PHI 1 91 GLN C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -73.60 -50.50 -73.72 -73.13 -73.36 7.12 8 1 "[ . + 1 . 2]"
54 PSI 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 LEU N -49.90 -29.90 -48.39 -54.90 -36.67 5.00 13 1 "[ . 1 + . 2]"
55 PHI 1 92 ALA C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -80.10 -54.30 -77.63 -81.21 -73.74 1.11 2 0 "[ . 1 . 2]"
56 PSI 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ARG N -54.80 -21.50 -34.50 -39.53 -31.95 . . 0 "[ . 1 . 2]"
57 PHI 1 93 LEU C 1 94 ARG N 1 94 ARG CA 1 94 ARG C -77.70 -53.50 -66.42 -63.38 -63.62 . . 0 "[ . 1 . 2]"
58 PSI 1 94 ARG N 1 94 ARG CA 1 94 ARG C 1 95 GLU N -49.10 -28.80 -48.38 -49.73 -49.75 3.98 20 0 "[ . 1 . 2]"
59 PHI 1 94 ARG C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -74.50 -48.80 -72.16 -72.98 -73.10 0.77 8 0 "[ . 1 . 2]"
60 PSI 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 ALA N -55.40 -31.90 -34.60 -34.51 -34.73 . . 0 "[ . 1 . 2]"
61 PHI 1 95 GLU C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -74.10 -48.60 -70.51 -72.34 -67.86 . . 0 "[ . 1 . 2]"
62 PSI 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 GLY N -54.30 -27.50 -37.47 -36.97 -37.75 . . 0 "[ . 1 . 2]"
63 PHI 1 96 ALA C 1 97 GLY N 1 97 GLY CA 1 97 GLY C -83.70 -54.60 -81.89 -84.68 -77.03 0.98 17 0 "[ . 1 . 2]"
64 PSI 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 ASP N -52.80 -29.00 -35.46 -39.18 -31.55 . . 0 "[ . 1 . 2]"
65 PHI 1 97 GLY C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -72.80 -48.40 -66.71 -64.41 -64.73 . . 0 "[ . 1 . 2]"
66 PSI 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 GLU N -65.40 -3.90 -27.82 -36.28 -20.93 . . 0 "[ . 1 . 2]"
67 PHI 1 98 ASP C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -105.50 -56.80 -68.83 -67.86 -68.36 . . 0 "[ . 1 . 2]"
68 PSI 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 PHE N -61.50 35.10 -31.96 -41.42 -22.22 . . 0 "[ . 1 . 2]"
69 PHI 1 99 GLU C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -113.90 -25.50 -99.57 -102.67 -109.09 2.36 18 0 "[ . 1 . 2]"
70 PSI 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 GLU N -70.90 27.40 -21.56 -21.45 -21.83 . . 0 "[ . 1 . 2]"
71 PHI 1 100 PHE C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -73.10 -50.60 -75.19 -74.65 -74.74 3.69 14 0 "[ . 1 . 2]"
72 PSI 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 LEU N -56.00 -14.30 -56.16 -56.41 -56.90 1.97 8 0 "[ . 1 . 2]"
73 PHI 1 101 GLU C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -85.40 -50.50 -76.34 -76.62 -77.47 . . 0 "[ . 1 . 2]"
74 PSI 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ARG N -57.80 -8.90 -13.44 -22.54 -8.64 0.26 6 0 "[ . 1 . 2]"
75 PHI 1 102 LEU C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -110.20 -49.30 -57.88 -79.21 -51.26 . . 0 "[ . 1 . 2]"
76 PSI 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 TYR N -78.00 5.50 -39.13 -29.71 -32.86 . . 0 "[ . 1 . 2]"
77 PHI 1 103 ARG C 1 104 TYR N 1 104 TYR CA 1 104 TYR C -120.90 -81.00 -113.97 -121.37 -122.19 4.72 4 0 "[ . 1 . 2]"
78 PSI 1 104 TYR N 1 104 TYR CA 1 104 TYR C 1 105 ARG N -1.10 38.00 13.20 18.79 15.07 4.48 10 0 "[ . 1 . 2]"
79 PHI 1 105 ARG C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -133.60 -60.40 -106.86 -115.00 -119.58 4.37 19 0 "[ . 1 . 2]"
80 PSI 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 ALA N -20.80 41.70 15.98 10.21 -19.18 1.50 10 0 "[ . 1 . 2]"
81 PHI 1 107 ALA C 1 108 PHE N 1 108 PHE CA 1 108 PHE C -168.80 -19.50 -80.19 -164.93 -48.54 . . 0 "[ . 1 . 2]"
82 PSI 1 108 PHE N 1 108 PHE CA 1 108 PHE C 1 109 SER N 115.00 169.20 156.65 156.33 148.13 2.19 9 0 "[ . 1 . 2]"
83 PHI 1 108 PHE C 1 109 SER N 1 109 SER CA 1 109 SER C 175.80 -43.80 -143.57 -133.72 -143.19 . . 0 "[ . 1 . 2]"
84 PSI 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 ASP N 116.10 -150.90 -173.66 175.91 -170.49 . . 0 "[ . 1 . 2]"
85 PHI 1 109 SER C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -93.70 -33.90 -78.92 -87.64 -89.73 . . 0 "[ . 1 . 2]"
86 PSI 1 110 ASP N 1 110 ASP CA 1 110 ASP C 1 111 LEU N -79.80 26.20 -17.46 -36.44 -7.92 . . 0 "[ . 1 . 2]"
87 PHI 1 110 ASP C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -73.00 -53.00 -58.86 -55.94 -56.30 0.16 5 0 "[ . 1 . 2]"
88 PSI 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 THR N -59.20 -17.00 -27.88 -35.42 -21.27 . . 0 "[ . 1 . 2]"
89 PHI 1 111 LEU C 1 112 THR N 1 112 THR CA 1 112 THR C -78.80 -46.60 -63.11 -60.84 -62.38 . . 0 "[ . 1 . 2]"
90 PSI 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 SER N -59.60 -21.00 -42.25 -42.09 -45.31 . . 0 "[ . 1 . 2]"
91 PHI 1 112 THR C 1 113 SER N 1 113 SER CA 1 113 SER C -80.20 -52.40 -76.60 -85.09 -63.02 4.89 20 0 "[ . 1 . 2]"
92 PSI 1 113 SER N 1 113 SER CA 1 113 SER C 1 114 GLN N -50.30 -20.50 -22.20 -21.20 -21.51 0.03 18 0 "[ . 1 . 2]"
93 PHI 1 113 SER C 1 114 GLN N 1 114 GLN CA 1 114 GLN C -97.90 -43.80 -87.10 -100.78 -59.81 2.88 13 0 "[ . 1 . 2]"
94 PSI 1 114 GLN N 1 114 GLN CA 1 114 GLN C 1 115 LEU N -46.50 -6.00 -29.84 -22.24 -23.21 . . 0 "[ . 1 . 2]"
95 PHI 1 117 ILE C 1 118 THR N 1 118 THR CA 1 118 THR C -131.80 -41.00 -118.29 -141.21 -61.50 9.41 20 3 "[ - . 1* . +]"
96 PSI 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 PRO N 88.40 -165.00 157.76 146.60 162.02 . . 0 "[ . 1 . 2]"
97 PHI 1 120 GLY C 1 121 THR N 1 121 THR CA 1 121 THR C -120.80 -37.40 -97.59 -124.27 -48.74 3.47 10 0 "[ . 1 . 2]"
98 PSI 1 121 THR N 1 121 THR CA 1 121 THR C 1 122 ALA N -58.00 39.10 -15.71 -61.02 35.59 3.02 17 0 "[ . 1 . 2]"
99 PHI 1 122 ALA C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -71.10 -50.10 -60.72 -59.50 -61.16 0.06 17 0 "[ . 1 . 2]"
100 PSI 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 GLN N -66.30 -15.30 -40.49 -45.93 -50.09 . . 0 "[ . 1 . 2]"
101 PHI 1 123 TYR C 1 124 GLN N 1 124 GLN CA 1 124 GLN C -76.70 -49.90 -61.64 -65.60 -70.12 . . 0 "[ . 1 . 2]"
102 PSI 1 124 GLN N 1 124 GLN CA 1 124 GLN C 1 125 SER N -51.60 -30.80 -34.74 -46.52 -30.67 0.13 3 0 "[ . 1 . 2]"
103 PHI 1 124 GLN C 1 125 SER N 1 125 SER CA 1 125 SER C -75.90 -50.60 -73.87 -78.43 -65.85 2.53 20 0 "[ . 1 . 2]"
104 PSI 1 125 SER N 1 125 SER CA 1 125 SER C 1 126 PHE N -52.40 -29.60 -48.19 -50.30 -52.43 0.17 6 0 "[ . 1 . 2]"
105 PHI 1 126 PHE C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -73.80 -49.60 -71.91 -61.54 -67.70 3.79 13 0 "[ . 1 . 2]"
106 PSI 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 GLN N -60.40 -19.60 -30.51 -45.12 -20.80 . . 0 "[ . 1 . 2]"
107 PHI 1 127 GLU C 1 128 GLN N 1 128 GLN CA 1 128 GLN C -72.30 -52.30 -69.97 -74.71 -65.87 2.41 8 0 "[ . 1 . 2]"
108 PSI 1 128 GLN N 1 128 GLN CA 1 128 GLN C 1 129 VAL N -51.50 -25.70 -47.14 -40.94 -43.51 2.04 12 0 "[ . 1 . 2]"
109 PHI 1 128 GLN C 1 129 VAL N 1 129 VAL CA 1 129 VAL C -79.60 -49.20 -58.00 -64.86 -51.53 . . 0 "[ . 1 . 2]"
110 PSI 1 129 VAL N 1 129 VAL CA 1 129 VAL C 1 130 VAL N -63.40 -20.00 -38.72 -41.85 -43.29 . . 0 "[ . 1 . 2]"
111 PHI 1 129 VAL C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -92.90 -48.20 -77.05 -86.23 -63.62 . . 0 "[ . 1 . 2]"
112 PSI 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 ASN N -64.50 0.50 -41.54 -60.24 -32.67 . . 0 "[ . 1 . 2]"
113 PHI 1 130 VAL C 1 131 ASN N 1 131 ASN CA 1 131 ASN C -73.00 -48.10 -59.86 -56.70 -58.43 . . 0 "[ . 1 . 2]"
114 PSI 1 131 ASN N 1 131 ASN CA 1 131 ASN C 1 132 GLU N -52.50 -26.40 -34.85 -34.44 -35.14 . . 0 "[ . 1 . 2]"
115 PHI 1 131 ASN C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -80.50 -49.90 -78.72 -86.40 -71.23 5.90 19 1 "[ . 1 . +2]"
116 PSI 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 LEU N -51.00 -29.20 -44.52 -48.18 -39.77 . . 0 "[ . 1 . 2]"
117 PHI 1 132 GLU C 1 133 LEU N 1 133 LEU CA 1 133 LEU C -84.60 -49.30 -67.36 -71.12 -71.93 . . 0 "[ . 1 . 2]"
118 PSI 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 PHE N -49.50 -9.70 -19.86 -11.98 -12.22 . . 0 "[ . 1 . 2]"
119 PHI 1 133 LEU C 1 134 PHE N 1 134 PHE CA 1 134 PHE C -123.50 -61.40 -103.68 -122.91 -73.81 . . 0 "[ . 1 . 2]"
120 PSI 1 134 PHE N 1 134 PHE CA 1 134 PHE C 1 135 ARG N -27.70 19.40 -0.93 13.14 11.63 4.43 5 0 "[ . 1 . 2]"
121 PHI 1 139 ASN C 1 140 TRP N 1 140 TRP CA 1 140 TRP C -88.20 -34.00 -61.00 -52.82 -57.84 . . 0 "[ . 1 . 2]"
122 PSI 1 140 TRP N 1 140 TRP CA 1 140 TRP C 1 141 GLY N -48.90 -12.70 -29.89 -36.82 -27.06 . . 0 "[ . 1 . 2]"
123 PHI 1 140 TRP C 1 141 GLY N 1 141 GLY CA 1 141 GLY C -89.00 -47.50 -81.60 -83.42 -85.04 . . 0 "[ . 1 . 2]"
124 PSI 1 141 GLY N 1 141 GLY CA 1 141 GLY C 1 142 ARG N -49.10 -20.10 -33.99 -43.37 -27.28 . . 0 "[ . 1 . 2]"
125 PHI 1 141 GLY C 1 142 ARG N 1 142 ARG CA 1 142 ARG C -82.20 -58.70 -75.90 -73.96 -74.86 . . 0 "[ . 1 . 2]"
126 PSI 1 142 ARG N 1 142 ARG CA 1 142 ARG C 1 143 ILE N -52.80 -28.10 -33.71 -33.73 -34.11 . . 0 "[ . 1 . 2]"
127 PHI 1 142 ARG C 1 143 ILE N 1 143 ILE CA 1 143 ILE C -79.20 -51.60 -71.61 -67.25 -69.66 . . 0 "[ . 1 . 2]"
128 PSI 1 143 ILE N 1 143 ILE CA 1 143 ILE C 1 144 VAL N -52.20 -32.20 -42.01 -51.11 -37.31 . . 0 "[ . 1 . 2]"
129 PHI 1 143 ILE C 1 144 VAL N 1 144 VAL CA 1 144 VAL C -71.90 -51.90 -70.04 -73.16 -67.33 1.26 19 0 "[ . 1 . 2]"
130 PSI 1 144 VAL N 1 144 VAL CA 1 144 VAL C 1 145 ALA N -52.90 -31.00 -34.78 -39.11 -27.93 3.07 18 0 "[ . 1 . 2]"
131 PHI 1 144 VAL C 1 145 ALA N 1 145 ALA CA 1 145 ALA C -88.90 -45.70 -73.12 -72.33 -74.34 . . 0 "[ . 1 . 2]"
132 PSI 1 145 ALA N 1 145 ALA CA 1 145 ALA C 1 146 PHE N -69.50 2.50 -32.08 -43.99 -22.52 . . 0 "[ . 1 . 2]"
133 PHI 1 145 ALA C 1 146 PHE N 1 146 PHE CA 1 146 PHE C -88.80 -47.70 -60.22 -78.92 -55.37 . . 0 "[ . 1 . 2]"
134 PSI 1 146 PHE N 1 146 PHE CA 1 146 PHE C 1 147 PHE N -51.50 -27.60 -33.40 -32.61 -32.89 . . 0 "[ . 1 . 2]"
135 PHI 1 146 PHE C 1 147 PHE N 1 147 PHE CA 1 147 PHE C -80.40 -53.40 -68.69 -75.19 -61.93 . . 0 "[ . 1 . 2]"
136 PSI 1 147 PHE N 1 147 PHE CA 1 147 PHE C 1 148 SER N -57.90 -29.30 -34.05 -31.42 -31.99 3.20 9 0 "[ . 1 . 2]"
137 PHI 1 147 PHE C 1 148 SER N 1 148 SER CA 1 148 SER C -70.70 -50.70 -68.71 -72.97 -65.13 2.27 9 0 "[ . 1 . 2]"
138 PSI 1 148 SER N 1 148 SER CA 1 148 SER C 1 149 PHE N -52.10 -27.00 -44.21 -50.73 -40.00 . . 0 "[ . 1 . 2]"
139 PHI 1 148 SER C 1 149 PHE N 1 149 PHE CA 1 149 PHE C -74.40 -48.90 -72.18 -76.61 -68.43 2.21 9 0 "[ . 1 . 2]"
140 PSI 1 149 PHE N 1 149 PHE CA 1 149 PHE C 1 150 GLY N -57.10 -28.50 -31.94 -30.07 -30.42 0.33 6 0 "[ . 1 . 2]"
141 PHI 1 151 GLY C 1 152 ALA N 1 152 ALA CA 1 152 ALA C -86.90 -41.40 -88.70 -96.31 -84.41 9.41 18 3 "[ . - 1 * . + 2]"
142 PSI 1 152 ALA N 1 152 ALA CA 1 152 ALA C 1 153 LEU N -61.30 -17.60 -23.00 -17.06 -19.17 5.37 7 1 "[ . + 1 . 2]"
143 PHI 1 152 ALA C 1 153 LEU N 1 153 LEU CA 1 153 LEU C -89.80 -45.10 -80.56 -96.11 -60.95 6.31 9 1 "[ . +1 . 2]"
144 PSI 1 153 LEU N 1 153 LEU CA 1 153 LEU C 1 154 CYS N -72.20 6.10 -41.65 -57.16 -9.80 . . 0 "[ . 1 . 2]"
145 PHI 1 153 LEU C 1 154 CYS N 1 154 CYS CA 1 154 CYS C -74.80 -54.80 -60.11 -69.66 -50.16 4.64 8 0 "[ . 1 . 2]"
146 PSI 1 154 CYS N 1 154 CYS CA 1 154 CYS C 1 155 VAL N -50.60 -30.60 -30.95 -25.74 -27.66 7.22 2 3 "[ + .- 1 . *]"
147 PHI 1 154 CYS C 1 155 VAL N 1 155 VAL CA 1 155 VAL C -77.60 -50.90 -63.12 -49.63 -52.61 2.00 16 0 "[ . 1 . 2]"
148 PSI 1 155 VAL N 1 155 VAL CA 1 155 VAL C 1 156 GLU N -54.20 -31.00 -35.75 -33.90 -35.43 1.52 6 0 "[ . 1 . 2]"
149 PHI 1 155 VAL C 1 156 GLU N 1 156 GLU CA 1 156 GLU C -77.50 -47.30 -77.40 -74.54 -76.00 7.31 6 3 "[ .+ 1 . * -]"
150 PSI 1 156 GLU N 1 156 GLU CA 1 156 GLU C 1 157 SER N -53.60 -32.80 -43.53 -51.71 -33.73 . . 0 "[ . 1 . 2]"
151 PHI 1 156 GLU C 1 157 SER N 1 157 SER CA 1 157 SER C -75.00 -55.00 -63.06 -62.91 -63.59 . . 0 "[ . 1 . 2]"
152 PSI 1 157 SER N 1 157 SER CA 1 157 SER C 1 158 VAL N -53.30 -32.50 -43.91 -51.85 -37.71 . . 0 "[ . 1 . 2]"
153 PHI 1 157 SER C 1 158 VAL N 1 158 VAL CA 1 158 VAL C -72.60 -51.20 -59.75 -68.33 -52.90 . . 0 "[ . 1 . 2]"
154 PSI 1 158 VAL N 1 158 VAL CA 1 158 VAL C 1 159 ASP N -56.40 -24.90 -38.91 -37.86 -39.60 . . 0 "[ . 1 . 2]"
155 PHI 1 158 VAL C 1 159 ASP N 1 159 ASP CA 1 159 ASP C -73.40 -53.40 -73.02 -73.86 -74.87 6.60 14 1 "[ . 1 +. 2]"
156 PSI 1 159 ASP N 1 159 ASP CA 1 159 ASP C 1 160 LYS N -57.80 -6.80 -19.01 -49.60 -5.22 1.58 4 0 "[ . 1 . 2]"
157 PHI 1 159 ASP C 1 160 LYS N 1 160 LYS CA 1 160 LYS C -116.70 -70.30 -101.59 -101.84 -114.15 8.03 3 1 "[ + . 1 . 2]"
158 PSI 1 160 LYS N 1 160 LYS CA 1 160 LYS C 1 161 GLU N -22.70 45.60 -12.14 -43.96 41.31 21.26 9 10 "[ - .* *+1 * ** ***]"
159 PHI 1 162 MET C 1 163 GLN N 1 163 GLN CA 1 163 GLN C -76.00 -39.10 -59.05 -66.23 -50.79 . . 0 "[ . 1 . 2]"
160 PSI 1 163 GLN N 1 163 GLN CA 1 163 GLN C 1 164 VAL N -55.60 -14.20 -19.21 -6.81 -14.42 7.39 2 1 "[ + . 1 . 2]"
161 PHI 1 163 GLN C 1 164 VAL N 1 164 VAL CA 1 164 VAL C -117.80 -49.40 -66.87 -48.25 -54.40 4.47 6 0 "[ . 1 . 2]"
162 PSI 1 164 VAL N 1 164 VAL CA 1 164 VAL C 1 165 LEU N -26.20 24.60 -17.60 -39.23 20.54 13.03 6 5 "[ * .+ 1 * - *2]"
163 PHI 1 165 LEU C 1 166 VAL N 1 166 VAL CA 1 166 VAL C -72.80 -47.30 -53.53 -55.90 -56.42 3.02 20 0 "[ . 1 . 2]"
164 PSI 1 166 VAL N 1 166 VAL CA 1 166 VAL C 1 167 SER N -64.30 -19.30 -33.56 -49.63 -24.47 . . 0 "[ . 1 . 2]"
165 PHI 1 166 VAL C 1 167 SER N 1 167 SER CA 1 167 SER C -79.60 -50.90 -72.68 -71.84 -73.78 1.54 11 0 "[ . 1 . 2]"
166 PSI 1 167 SER N 1 167 SER CA 1 167 SER C 1 168 ARG N -66.90 6.70 -32.27 -38.56 -26.51 . . 0 "[ . 1 . 2]"
167 PHI 1 167 SER C 1 168 ARG N 1 168 ARG CA 1 168 ARG C -82.50 -57.40 -74.96 -81.98 -65.26 . . 0 "[ . 1 . 2]"
168 PSI 1 168 ARG N 1 168 ARG CA 1 168 ARG C 1 169 ILE N -61.10 -4.20 -46.97 -52.36 -38.52 . . 0 "[ . 1 . 2]"
169 PHI 1 168 ARG C 1 169 ILE N 1 169 ILE CA 1 169 ILE C -80.10 -51.80 -61.17 -57.09 -59.81 . . 0 "[ . 1 . 2]"
170 PSI 1 169 ILE N 1 169 ILE CA 1 169 ILE C 1 170 ALA N -61.40 -17.30 -38.35 -39.02 -41.90 . . 0 "[ . 1 . 2]"
171 PHI 1 169 ILE C 1 170 ALA N 1 170 ALA CA 1 170 ALA C -78.40 -49.50 -74.52 -81.36 -66.39 2.96 18 0 "[ . 1 . 2]"
172 PSI 1 170 ALA N 1 170 ALA CA 1 170 ALA C 1 171 ALA N -62.10 -18.90 -37.77 -36.51 -37.45 . . 0 "[ . 1 . 2]"
173 PHI 1 170 ALA C 1 171 ALA N 1 171 ALA CA 1 171 ALA C -79.00 -48.10 -69.20 -79.71 -60.26 0.71 5 0 "[ . 1 . 2]"
174 PSI 1 171 ALA N 1 171 ALA CA 1 171 ALA C 1 172 TRP N -60.60 -21.40 -50.33 -58.38 -26.81 . . 0 "[ . 1 . 2]"
175 PHI 1 171 ALA C 1 172 TRP N 1 172 TRP CA 1 172 TRP C -80.70 -57.50 -63.05 -69.55 -79.81 . . 0 "[ . 1 . 2]"
176 PSI 1 172 TRP N 1 172 TRP CA 1 172 TRP C 1 173 MET N -54.50 -25.40 -28.41 -40.47 -22.89 2.51 20 0 "[ . 1 . 2]"
177 PHI 1 173 MET C 1 174 ALA N 1 174 ALA CA 1 174 ALA C -73.00 -53.00 -59.48 -59.56 -60.40 . . 0 "[ . 1 . 2]"
178 PSI 1 174 ALA N 1 174 ALA CA 1 174 ALA C 1 175 THR N -51.70 -31.70 -33.82 -33.58 -35.68 3.50 20 0 "[ . 1 . 2]"
179 PHI 1 174 ALA C 1 175 THR N 1 175 THR CA 1 175 THR C -80.50 -57.30 -63.61 -65.99 -69.24 0.00 7 0 "[ . 1 . 2]"
180 PSI 1 175 THR N 1 175 THR CA 1 175 THR C 1 176 TYR N -54.20 -31.70 -51.02 -57.64 -40.65 3.44 9 0 "[ . 1 . 2]"
181 PHI 1 175 THR C 1 176 TYR N 1 176 TYR CA 1 176 TYR C -72.90 -49.80 -73.79 -73.67 -74.41 4.13 1 0 "[ . 1 . 2]"
182 PSI 1 176 TYR N 1 176 TYR CA 1 176 TYR C 1 177 LEU N -64.80 -22.70 -31.65 -35.06 -36.77 . . 0 "[ . 1 . 2]"
183 PHI 1 176 TYR C 1 177 LEU N 1 177 LEU CA 1 177 LEU C -72.80 -52.80 -61.36 -64.07 -58.26 . . 0 "[ . 1 . 2]"
184 PSI 1 177 LEU N 1 177 LEU CA 1 177 LEU C 1 178 ASN N -59.70 -10.70 -56.32 -61.64 -66.74 7.04 1 1 "[+ . 1 . 2]"
185 PHI 1 177 LEU C 1 178 ASN N 1 178 ASN CA 1 178 ASN C -77.10 -50.30 -66.56 -76.25 -58.00 . . 0 "[ . 1 . 2]"
186 PSI 1 178 ASN N 1 178 ASN CA 1 178 ASN C 1 179 ASP N -57.50 -23.40 -19.16 -19.37 -19.85 6.97 3 7 "[ + * 1 - *.** *2]"
187 PHI 1 178 ASN C 1 179 ASP N 1 179 ASP CA 1 179 ASP C -85.00 -48.80 -58.01 -58.24 -58.36 . . 0 "[ . 1 . 2]"
188 PSI 1 179 ASP N 1 179 ASP CA 1 179 ASP C 1 180 HIS N -64.10 5.90 -56.33 -61.08 -46.41 . . 0 "[ . 1 . 2]"
189 PHI 1 179 ASP C 1 180 HIS N 1 180 HIS CA 1 180 HIS C -126.00 -44.30 -132.64 -139.46 -106.74 13.46 20 18 "[ *-************ ***+]"
190 PSI 1 180 HIS N 1 180 HIS CA 1 180 HIS C 1 181 LEU N -57.00 18.90 -20.99 -22.91 -23.96 . . 0 "[ . 1 . 2]"
191 PHI 1 181 LEU C 1 182 GLU N 1 182 GLU CA 1 182 GLU C -70.80 -35.40 -51.86 -57.54 -47.67 . . 0 "[ . 1 . 2]"
192 PSI 1 182 GLU N 1 182 GLU CA 1 182 GLU C 1 183 PRO N -62.60 -30.10 -60.98 -61.09 -61.67 2.17 3 0 "[ . 1 . 2]"
193 PHI 1 183 PRO C 1 184 TRP N 1 184 TRP CA 1 184 TRP C -73.80 -53.80 -60.89 -62.43 -63.00 . . 0 "[ . 1 . 2]"
194 PSI 1 184 TRP N 1 184 TRP CA 1 184 TRP C 1 185 ILE N -57.60 -25.90 -47.12 -48.11 -50.04 . . 0 "[ . 1 . 2]"
195 PHI 1 184 TRP C 1 185 ILE N 1 185 ILE CA 1 185 ILE C -77.10 -51.40 -69.45 -80.00 -59.75 2.90 19 0 "[ . 1 . 2]"
196 PSI 1 185 ILE N 1 185 ILE CA 1 185 ILE C 1 186 GLN N -58.20 -26.20 -37.59 -44.01 -27.75 . . 0 "[ . 1 . 2]"
197 PHI 1 185 ILE C 1 186 GLN N 1 186 GLN CA 1 186 GLN C -72.30 -47.40 -62.84 -72.15 -54.06 . . 0 "[ . 1 . 2]"
198 PSI 1 186 GLN N 1 186 GLN CA 1 186 GLN C 1 187 GLU N -59.10 -15.20 -39.47 -50.20 -17.91 . . 0 "[ . 1 . 2]"
199 PHI 1 186 GLN C 1 187 GLU N 1 187 GLU CA 1 187 GLU C -80.50 -51.70 -76.30 -82.69 -54.76 2.19 15 0 "[ . 1 . 2]"
200 PSI 1 187 GLU N 1 187 GLU CA 1 187 GLU C 1 188 ASN N -54.30 -5.80 -15.48 -31.32 -4.67 1.13 5 0 "[ . 1 . 2]"
201 PHI 1 190 GLY C 1 191 TRP N 1 191 TRP CA 1 191 TRP C -67.50 -47.50 -59.55 -67.41 -48.49 . . 0 "[ . 1 . 2]"
202 PSI 1 191 TRP N 1 191 TRP CA 1 191 TRP C 1 192 ASP N -55.30 -26.60 -38.26 -48.59 -28.17 . . 0 "[ . 1 . 2]"
203 PHI 1 191 TRP C 1 192 ASP N 1 192 ASP CA 1 192 ASP C -84.00 -50.90 -73.79 -62.74 -70.64 . . 0 "[ . 1 . 2]"
204 PSI 1 192 ASP N 1 192 ASP CA 1 192 ASP C 1 193 THR N -52.40 -20.50 -34.91 -44.70 -29.49 . . 0 "[ . 1 . 2]"
205 PHI 1 192 ASP C 1 193 THR N 1 193 THR CA 1 193 THR C -85.70 -51.30 -75.15 -67.05 -68.53 . . 0 "[ . 1 . 2]"
206 PSI 1 193 THR N 1 193 THR CA 1 193 THR C 1 194 PHE N -56.40 -27.10 -31.80 -44.01 -24.29 2.81 11 0 "[ . 1 . 2]"
207 PHI 1 193 THR C 1 194 PHE N 1 194 PHE CA 1 194 PHE C -82.70 -47.90 -75.78 -77.56 -79.53 4.84 11 0 "[ . 1 . 2]"
208 PSI 1 194 PHE N 1 194 PHE CA 1 194 PHE C 1 195 VAL N -51.10 -31.10 -42.78 -37.99 -39.23 . . 0 "[ . 1 . 2]"
209 PHI 1 194 PHE C 1 195 VAL N 1 195 VAL CA 1 195 VAL C -74.60 -53.80 -72.61 -66.03 -69.74 1.42 10 0 "[ . 1 . 2]"
210 PSI 1 195 VAL N 1 195 VAL CA 1 195 VAL C 1 196 GLU N -51.50 -29.20 -40.33 -50.73 -26.96 2.24 12 0 "[ . 1 . 2]"
211 PHI 1 195 VAL C 1 196 GLU N 1 196 GLU CA 1 196 GLU C -75.40 -52.80 -72.74 -68.70 -71.40 2.68 10 0 "[ . 1 . 2]"
212 PSI 1 196 GLU N 1 196 GLU CA 1 196 GLU C 1 197 LEU N -51.70 -30.10 -31.97 -60.06 -23.52 8.36 20 6 "[ -* * .* * +]"
213 PHI 1 197 LEU C 1 198 TYR N 1 198 TYR CA 1 198 TYR C -121.70 -46.60 -73.31 -66.21 -66.57 . . 0 "[ . 1 . 2]"
214 PSI 1 198 TYR N 1 198 TYR CA 1 198 TYR C 1 199 GLY N -58.00 33.50 -21.26 -14.64 -21.78 . . 0 "[ . 1 . 2]"
215 PHI 1 201 ASN C 1 202 ALA N 1 202 ALA CA 1 202 ALA C -106.80 -43.70 -79.08 -113.07 -53.22 6.27 2 1 "[ + . 1 . 2]"
216 PSI 1 202 ALA N 1 202 ALA CA 1 202 ALA C 1 203 ALA N -77.00 36.80 -33.01 -77.64 24.04 0.64 2 0 "[ . 1 . 2]"
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