NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476894 |
2kv3   |
16767 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kv3
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 201
_TA_constraint_stats_list.Viol_count 1738
_TA_constraint_stats_list.Viol_total 25318.27
_TA_constraint_stats_list.Viol_max 5.97
_TA_constraint_stats_list.Viol_rms 0.56
_TA_constraint_stats_list.Viol_average_all_restraints 0.31
_TA_constraint_stats_list.Viol_average_violations_only 0.73
_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 . 1 5 PRO C 1 6 GLY N 1 6 GLY CA 1 6 GLY C 78.71 -103.35 125.70 141.22 104.87 0.99 18 0 "[ . 1 . 2]"
2 . 1 6 GLY N 1 6 GLY CA 1 6 GLY C 1 7 TRP N -107.49 90.49 -14.61 17.45 6.26 . . 0 "[ . 1 . 2]"
3 . 1 6 GLY C 1 7 TRP N 1 7 TRP CA 1 7 TRP C -100.30 -76.30 -80.96 -81.55 -82.49 0.25 18 0 "[ . 1 . 2]"
4 . 1 7 TRP N 1 7 TRP CA 1 7 TRP C 1 8 PHE N 93.00 144.60 144.19 144.89 144.80 1.02 9 0 "[ . 1 . 2]"
5 . 1 7 TRP C 1 8 PHE N 1 8 PHE CA 1 8 PHE C -138.50 -85.90 -91.52 -89.69 -98.74 0.75 9 0 "[ . 1 . 2]"
6 . 1 8 PHE N 1 8 PHE CA 1 8 PHE C 1 9 TYR N 117.60 140.60 122.29 116.97 135.57 0.63 12 0 "[ . 1 . 2]"
7 . 1 8 PHE C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -116.30 -86.30 -88.96 -100.02 -85.52 0.78 20 0 "[ . 1 . 2]"
8 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 HIS N 106.00 138.40 107.13 107.56 106.23 1.13 1 0 "[ . 1 . 2]"
9 . 1 9 TYR C 1 10 HIS N 1 10 HIS CA 1 10 HIS C -119.80 -69.00 -120.53 -120.10 -120.36 1.35 1 0 "[ . 1 . 2]"
10 . 1 10 HIS N 1 10 HIS CA 1 10 HIS C 1 11 LYS N 111.60 139.20 139.76 118.21 142.29 3.09 17 0 "[ . 1 . 2]"
11 . 1 10 HIS C 1 11 LYS N 1 11 LYS CA 1 11 LYS C 47.10 54.10 51.71 46.78 55.60 1.50 17 0 "[ . 1 . 2]"
12 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 SER N 34.80 58.80 33.02 31.69 35.60 3.11 12 0 "[ . 1 . 2]"
13 . 1 11 LYS C 1 12 SER N 1 12 SER CA 1 12 SER C 57.44 68.64 64.11 67.70 66.70 1.54 5 0 "[ . 1 . 2]"
14 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 ASN N 6.81 30.81 6.81 6.13 6.11 1.49 7 0 "[ . 1 . 2]"
15 . 1 12 SER C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -146.57 -82.57 -119.05 -125.31 -99.34 . . 0 "[ . 1 . 2]"
16 . 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 CYS N 141.28 167.28 164.11 143.69 168.58 1.30 9 0 "[ . 1 . 2]"
17 . 1 13 ASN C 1 14 CYS N 1 14 CYS CA 1 14 CYS C -140.80 -106.80 -108.44 -130.78 -104.96 1.84 16 0 "[ . 1 . 2]"
18 . 1 14 CYS N 1 14 CYS CA 1 14 CYS C 1 15 TYR N 125.30 157.30 128.09 129.23 128.34 1.89 5 0 "[ . 1 . 2]"
19 . 1 14 CYS C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -142.80 -92.80 -142.86 -143.39 -143.52 1.37 5 0 "[ . 1 . 2]"
20 . 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 GLY N 125.90 151.90 152.39 150.33 153.32 1.42 14 0 "[ . 1 . 2]"
21 . 1 15 TYR C 1 16 GLY N 1 16 GLY CA 1 16 GLY C -157.50 -45.50 -154.26 -153.18 -153.94 0.60 15 0 "[ . 1 . 2]"
22 . 1 16 GLY N 1 16 GLY CA 1 16 GLY C 1 17 TYR N 102.70 167.70 148.58 136.25 167.83 0.13 6 0 "[ . 1 . 2]"
23 . 1 16 GLY C 1 17 TYR N 1 17 TYR CA 1 17 TYR C -129.80 -69.80 -93.17 -90.76 -97.59 . . 0 "[ . 1 . 2]"
24 . 1 17 TYR N 1 17 TYR CA 1 17 TYR C 1 18 PHE N 77.40 149.40 147.56 140.89 149.73 0.33 7 0 "[ . 1 . 2]"
25 . 1 18 PHE C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -113.00 -88.00 -95.76 -99.44 -92.19 . . 0 "[ . 1 . 2]"
26 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 LYS N 60.70 100.70 60.11 60.09 59.59 1.89 18 0 "[ . 1 . 2]"
27 . 1 19 ARG C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -160.50 -120.50 -132.24 -139.64 -124.25 . . 0 "[ . 1 . 2]"
28 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 LEU N 132.20 178.20 140.43 136.38 145.66 . . 0 "[ . 1 . 2]"
29 . 1 20 LYS C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -93.90 -69.70 -82.78 -78.75 -80.05 . . 0 "[ . 1 . 2]"
30 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 ARG N 107.20 165.20 105.18 105.30 104.98 3.57 13 0 "[ . 1 . 2]"
31 . 1 21 LEU C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -143.60 -93.40 -137.89 -143.52 -130.95 . . 0 "[ . 1 . 2]"
32 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 ASN N 121.60 166.40 136.05 131.64 139.43 . . 0 "[ . 1 . 2]"
33 . 1 23 ASN C 1 24 TRP N 1 24 TRP CA 1 24 TRP C -68.70 -43.70 -53.88 -54.98 -55.26 . . 0 "[ . 1 . 2]"
34 . 1 24 TRP N 1 24 TRP CA 1 24 TRP C 1 25 SER N -62.80 -31.00 -30.63 -32.58 -29.49 1.51 16 0 "[ . 1 . 2]"
35 . 1 24 TRP C 1 25 SER N 1 25 SER CA 1 25 SER C -75.00 -45.00 -69.79 -68.33 -69.05 . . 0 "[ . 1 . 2]"
36 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 ASP N -52.90 -29.10 -43.64 -45.47 -41.79 . . 0 "[ . 1 . 2]"
37 . 1 25 SER C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -79.40 -55.60 -79.77 -80.27 -79.36 0.87 9 0 "[ . 1 . 2]"
38 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 ALA N -49.70 -23.90 -24.10 -26.01 -23.36 0.54 15 0 "[ . 1 . 2]"
39 . 1 26 ASP C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -72.20 -49.80 -72.58 -73.57 -71.30 1.37 20 0 "[ . 1 . 2]"
40 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 GLU N -51.80 -35.80 -51.71 -52.42 -48.47 0.62 14 0 "[ . 1 . 2]"
41 . 1 27 ALA C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -65.70 -54.70 -63.63 -65.47 -65.78 0.53 14 0 "[ . 1 . 2]"
42 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 LEU N -49.80 -28.00 -46.01 -46.45 -48.28 1.29 20 0 "[ . 1 . 2]"
43 . 1 28 GLU C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -67.50 -55.90 -59.43 -67.63 -55.04 0.86 19 0 "[ . 1 . 2]"
44 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLU N -51.80 -34.20 -35.75 -42.83 -33.45 0.75 12 0 "[ . 1 . 2]"
45 . 1 29 LEU C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -67.00 -57.00 -64.06 -67.47 -56.68 0.47 2 0 "[ . 1 . 2]"
46 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 CYS N -43.00 -19.60 -27.37 -43.42 -19.69 0.42 12 0 "[ . 1 . 2]"
47 . 1 31 CYS C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -67.40 -51.00 -50.26 -49.99 -50.12 1.33 11 0 "[ . 1 . 2]"
48 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 SER N -57.20 -13.20 -11.75 -11.65 -11.77 2.91 15 0 "[ . 1 . 2]"
49 . 1 32 GLN C 1 33 SER N 1 33 SER CA 1 33 SER C -72.90 -57.50 -56.12 -56.18 -56.39 2.76 12 0 "[ . 1 . 2]"
50 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 TYR N -40.30 -25.50 -25.34 -25.45 -25.48 0.60 12 0 "[ . 1 . 2]"
51 . 1 33 SER C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -96.00 -74.20 -79.73 -82.23 -77.17 . . 0 "[ . 1 . 2]"
52 . 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 GLY N -10.50 7.50 -11.50 -11.28 -11.39 1.49 12 0 "[ . 1 . 2]"
53 . 1 36 ASN C 1 37 GLY N 1 37 GLY CA 1 37 GLY C 70.20 96.60 84.24 80.94 87.58 . . 0 "[ . 1 . 2]"
54 . 1 37 GLY N 1 37 GLY CA 1 37 GLY C 1 38 ALA N -7.00 31.20 19.61 18.95 18.61 . . 0 "[ . 1 . 2]"
55 . 1 37 GLY C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -113.20 -64.20 -67.73 -68.08 -68.34 0.04 12 0 "[ . 1 . 2]"
56 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 HIS N 130.90 164.10 135.53 136.66 135.99 0.23 18 0 "[ . 1 . 2]"
57 . 1 38 ALA C 1 39 HIS N 1 39 HIS CA 1 39 HIS C -157.40 -107.40 -157.80 -157.59 -157.77 0.84 4 0 "[ . 1 . 2]"
58 . 1 39 HIS N 1 39 HIS CA 1 39 HIS C 1 40 LEU N 154.80 174.80 175.45 174.49 176.44 1.64 11 0 "[ . 1 . 2]"
59 . 1 39 HIS C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -97.40 -63.40 -62.49 -63.13 -61.80 1.60 7 0 "[ . 1 . 2]"
60 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 ALA N 105.30 155.30 154.15 154.24 154.10 . . 0 "[ . 1 . 2]"
61 . 1 41 ALA C 1 42 SER N 1 42 SER CA 1 42 SER C -148.00 -58.00 -137.19 -148.44 -101.33 0.44 18 0 "[ . 1 . 2]"
62 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 ILE N 120.00 -174.00 123.85 118.25 142.41 1.75 14 0 "[ . 1 . 2]"
63 . 1 42 SER C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -149.20 -118.80 -136.09 -143.45 -118.56 0.24 9 0 "[ . 1 . 2]"
64 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 LEU N 117.50 172.50 134.31 128.47 122.21 0.63 1 0 "[ . 1 . 2]"
65 . 1 43 ILE C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -106.50 -76.50 -106.37 -107.09 -107.14 1.23 18 0 "[ . 1 . 2]"
66 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 SER N -26.80 6.20 -23.96 -27.70 -15.63 0.90 10 0 "[ . 1 . 2]"
67 . 1 45 SER C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -71.10 -48.90 -71.18 -72.37 -65.72 1.27 5 0 "[ . 1 . 2]"
68 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 LYS N -52.20 -23.20 -28.46 -44.02 -22.07 1.13 15 0 "[ . 1 . 2]"
69 . 1 46 LEU C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -72.20 -56.20 -56.29 -55.99 -56.04 1.29 15 0 "[ . 1 . 2]"
70 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 GLU N -41.50 -31.10 -42.03 -41.66 -41.77 1.16 13 0 "[ . 1 . 2]"
71 . 1 47 LYS C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -70.80 -59.00 -70.63 -67.82 -69.58 1.21 13 0 "[ . 1 . 2]"
72 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 ALA N -50.60 -39.00 -45.00 -45.92 -48.33 0.54 1 0 "[ . 1 . 2]"
73 . 1 48 GLU C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -69.80 -57.40 -62.83 -70.13 -57.00 0.40 7 0 "[ . 1 . 2]"
74 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 SER N -44.30 -34.30 -33.57 -36.49 -32.31 1.99 14 0 "[ . 1 . 2]"
75 . 1 49 ALA C 1 50 SER N 1 50 SER CA 1 50 SER C -73.90 -61.70 -62.50 -61.40 -61.50 0.84 17 0 "[ . 1 . 2]"
76 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 THR N -48.40 -28.40 -40.27 -31.73 -37.27 0.45 16 0 "[ . 1 . 2]"
77 . 1 50 SER C 1 51 THR N 1 51 THR CA 1 51 THR C -78.50 -60.50 -71.61 -78.32 -78.32 0.82 8 0 "[ . 1 . 2]"
78 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 ILE N -48.20 -33.40 -47.60 -49.84 -33.28 1.64 3 0 "[ . 1 . 2]"
79 . 1 51 THR C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -73.30 -60.50 -63.96 -70.97 -60.13 0.37 20 0 "[ . 1 . 2]"
80 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 ALA N -48.60 -34.60 -44.85 -51.34 -41.08 2.74 18 0 "[ . 1 . 2]"
81 . 1 52 ILE C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -72.50 -56.50 -57.39 -55.78 -55.97 0.72 2 0 "[ . 1 . 2]"
82 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 GLU N -62.50 -10.50 -39.21 -39.35 -39.84 . . 0 "[ . 1 . 2]"
83 . 1 53 ALA C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -75.00 -59.00 -57.32 -57.76 -56.66 2.34 1 0 "[ . 1 . 2]"
84 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 TYR N -55.50 -12.50 -29.77 -34.47 -26.80 . . 0 "[ . 1 . 2]"
85 . 1 54 GLU C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -90.00 -70.00 -88.14 -87.32 -88.10 0.79 9 0 "[ . 1 . 2]"
86 . 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 ILE N -58.00 -38.00 -58.38 -57.50 -58.15 1.11 7 0 "[ . 1 . 2]"
87 . 1 55 TYR C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -80.20 -48.20 -81.41 -80.82 -81.01 2.01 19 0 "[ . 1 . 2]"
88 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 SER N -66.50 5.50 0.90 2.95 2.08 . . 0 "[ . 1 . 2]"
89 . 1 56 ILE C 1 57 SER N 1 57 SER CA 1 57 SER C -50.28 -40.28 -40.83 -36.62 -37.83 3.66 2 0 "[ . 1 . 2]"
90 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 GLY N -54.70 -6.70 -37.50 -28.55 -43.56 0.21 19 0 "[ . 1 . 2]"
91 . 1 57 SER C 1 58 GLY N 1 58 GLY CA 1 58 GLY C 65.60 95.60 69.20 69.75 69.71 0.66 19 0 "[ . 1 . 2]"
92 . 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 TYR N -11.20 16.60 14.43 -12.05 19.71 3.11 6 0 "[ . 1 . 2]"
93 . 1 58 GLY C 1 59 TYR N 1 59 TYR CA 1 59 TYR C -99.20 -51.20 -51.40 -55.76 -49.07 2.13 6 0 "[ . 1 . 2]"
94 . 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 GLN N -36.20 -6.20 -10.06 -11.83 -26.47 1.95 19 0 "[ . 1 . 2]"
95 . 1 59 TYR C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -106.25 -72.25 -85.11 -98.32 -75.21 . . 0 "[ . 1 . 2]"
96 . 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 ARG N -21.70 11.70 -9.60 1.82 -21.73 2.36 18 0 "[ . 1 . 2]"
97 . 1 61 ARG C 1 62 SER N 1 62 SER CA 1 62 SER C -102.90 -59.50 -74.93 -99.24 -58.84 0.66 6 0 "[ . 1 . 2]"
98 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 GLN N 113.39 179.39 152.93 141.13 117.06 1.65 13 0 "[ . 1 . 2]"
99 . 1 62 SER C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -105.18 -55.18 -99.25 -93.37 -105.41 1.85 13 0 "[ . 1 . 2]"
100 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 SER N 123.24 163.24 155.45 162.39 161.59 1.49 11 0 "[ . 1 . 2]"
101 . 1 64 SER C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -149.20 -107.20 -112.95 -106.45 -106.73 2.24 16 0 "[ . 1 . 2]"
102 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 TRP N 130.00 169.60 141.32 133.84 149.89 . . 0 "[ . 1 . 2]"
103 . 1 65 ILE C 1 66 TRP N 1 66 TRP CA 1 66 TRP C -135.91 -77.01 -79.73 -84.87 -94.37 1.29 11 0 "[ . 1 . 2]"
104 . 1 66 TRP N 1 66 TRP CA 1 66 TRP C 1 67 ILE N 128.13 166.61 158.46 156.49 161.97 . . 0 "[ . 1 . 2]"
105 . 1 66 TRP C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -138.10 -112.50 -136.33 -138.67 -131.80 0.57 3 0 "[ . 1 . 2]"
106 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 GLY N 140.30 -175.70 173.81 170.25 176.62 . . 0 "[ . 1 . 2]"
107 . 1 67 ILE C 1 68 GLY N 1 68 GLY CA 1 68 GLY C -115.00 -85.00 -84.45 -83.34 -83.67 2.00 4 0 "[ . 1 . 2]"
108 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 LEU N 62.00 92.00 62.45 61.25 65.98 0.75 2 0 "[ . 1 . 2]"
109 . 1 68 GLY C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -124.90 -84.90 -124.21 -122.01 -122.66 1.23 7 0 "[ . 1 . 2]"
110 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 HIS N 100.80 151.00 122.66 124.12 123.73 . . 0 "[ . 1 . 2]"
111 . 1 69 LEU C 1 70 HIS N 1 70 HIS CA 1 70 HIS C -150.40 -94.40 -151.93 -153.89 -149.80 3.49 10 0 "[ . 1 . 2]"
112 . 1 70 HIS N 1 70 HIS CA 1 70 HIS C 1 71 ASP N 123.10 170.30 167.21 152.13 171.30 1.00 10 0 "[ . 1 . 2]"
113 . 1 70 HIS C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -123.10 -72.90 -91.47 -95.71 -85.02 . . 0 "[ . 1 . 2]"
114 . 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 PRO N 90.00 167.00 152.60 154.04 153.34 . . 0 "[ . 1 . 2]"
115 . 1 71 ASP C 1 72 PRO N 1 72 PRO CA 1 72 PRO C -70.30 -44.30 -69.06 -71.34 -65.49 1.04 4 0 "[ . 1 . 2]"
116 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 LYS N -13.80 44.20 46.07 46.06 45.87 2.26 9 0 "[ . 1 . 2]"
117 . 1 73 GLN C 1 74 LYS N 1 74 LYS CA 1 74 LYS C 40.60 77.00 69.08 66.55 75.04 . . 0 "[ . 1 . 2]"
118 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 ARG N 28.20 49.40 40.29 38.35 42.97 . . 0 "[ . 1 . 2]"
119 . 1 76 GLN C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -139.60 -75.60 -136.91 -136.91 -136.95 . . 0 "[ . 1 . 2]"
120 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 TRP N 88.50 158.50 133.91 130.89 136.63 . . 0 "[ . 1 . 2]"
121 . 1 77 GLN C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -101.26 -71.26 -101.38 -103.31 -96.47 2.05 7 0 "[ . 1 . 2]"
122 . 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 GLN N 101.27 161.27 114.97 102.50 123.57 . . 0 "[ . 1 . 2]"
123 . 1 78 TRP C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -139.10 -90.70 -138.64 -140.28 -129.77 1.18 7 0 "[ . 1 . 2]"
124 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 TRP N 129.70 163.70 158.61 151.31 164.25 0.55 14 0 "[ . 1 . 2]"
125 . 1 79 GLN C 1 80 TRP N 1 80 TRP CA 1 80 TRP C -118.50 -73.70 -93.41 -91.96 -92.68 . . 0 "[ . 1 . 2]"
126 . 1 80 TRP N 1 80 TRP CA 1 80 TRP C 1 81 ILE N 129.70 178.10 178.74 178.61 178.52 1.10 20 0 "[ . 1 . 2]"
127 . 1 80 TRP C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -80.00 -40.00 -54.56 -56.02 -56.22 . . 0 "[ . 1 . 2]"
128 . 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 ASP N -104.00 -56.00 -57.24 -58.60 -56.40 . . 0 "[ . 1 . 2]"
129 . 1 83 GLY N 1 83 GLY CA 1 83 GLY C 1 84 ALA N -16.50 13.50 13.23 8.64 15.08 1.58 19 0 "[ . 1 . 2]"
130 . 1 84 ALA C 1 85 MET N 1 85 MET CA 1 85 MET C -119.26 -59.26 -120.41 -121.47 -119.65 2.21 20 0 "[ . 1 . 2]"
131 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 TYR N 108.73 158.73 107.78 106.17 109.10 2.56 5 0 "[ . 1 . 2]"
132 . 1 85 MET C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -134.30 -64.30 -69.19 -67.74 -71.53 0.85 20 0 "[ . 1 . 2]"
133 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 LEU N 90.80 130.80 130.18 113.22 133.35 2.55 3 0 "[ . 1 . 2]"
134 . 1 86 TYR C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -136.20 -92.20 -95.98 -137.97 -89.82 2.38 3 0 "[ . 1 . 2]"
135 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 TYR N 93.20 149.20 116.50 128.87 122.01 4.33 8 0 "[ . 1 . 2]"
136 . 1 88 TYR C 1 89 ARG N 1 89 ARG CA 1 89 ARG C -148.21 -84.21 -83.81 -82.97 -83.32 1.58 18 0 "[ . 1 . 2]"
137 . 1 89 ARG N 1 89 ARG CA 1 89 ARG C 1 90 SER N 124.51 174.51 156.00 157.74 157.06 0.37 10 0 "[ . 1 . 2]"
138 . 1 89 ARG C 1 90 SER N 1 90 SER CA 1 90 SER C -123.10 -53.10 -65.31 -71.07 -75.36 0.58 20 0 "[ . 1 . 2]"
139 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 TRP N 112.50 152.50 122.89 111.54 137.27 0.96 4 0 "[ . 1 . 2]"
140 . 1 90 SER C 1 91 TRP N 1 91 TRP CA 1 91 TRP C -152.27 -73.61 -147.12 -153.73 -88.49 1.46 5 0 "[ . 1 . 2]"
141 . 1 91 TRP N 1 91 TRP CA 1 91 TRP C 1 92 SER N 103.25 173.25 102.78 101.51 106.89 1.74 20 0 "[ . 1 . 2]"
142 . 1 91 TRP C 1 92 SER N 1 92 SER CA 1 92 SER C -165.50 -134.50 -165.14 -166.86 -161.00 1.36 2 0 "[ . 1 . 2]"
143 . 1 92 SER N 1 92 SER CA 1 92 SER C 1 93 GLY N 111.40 155.40 110.77 109.09 111.55 2.31 20 0 "[ . 1 . 2]"
144 . 1 92 SER C 1 93 GLY N 1 93 GLY CA 1 93 GLY C 88.60 95.00 88.91 88.31 88.28 2.55 20 0 "[ . 1 . 2]"
145 . 1 93 GLY N 1 93 GLY CA 1 93 GLY C 1 94 LYS N -16.30 17.70 10.26 18.26 17.85 0.56 2 0 "[ . 1 . 2]"
146 . 1 93 GLY C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -153.00 -103.00 -141.89 -143.97 -146.33 0.67 17 0 "[ . 1 . 2]"
147 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 SER N 112.00 178.00 159.86 136.18 178.46 0.46 6 0 "[ . 1 . 2]"
148 . 1 94 LYS C 1 95 SER N 1 95 SER CA 1 95 SER C -144.00 -70.00 -129.46 -104.76 -116.43 0.53 10 0 "[ . 1 . 2]"
149 . 1 95 SER N 1 95 SER CA 1 95 SER C 1 96 MET N 115.00 179.00 141.64 172.81 159.22 0.51 3 0 "[ . 1 . 2]"
150 . 1 96 MET C 1 97 GLY N 1 97 GLY CA 1 97 GLY C 80.00 120.00 84.19 79.16 103.63 0.84 5 0 "[ . 1 . 2]"
151 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 GLY N -60.00 -40.00 -46.15 -60.47 -39.31 0.69 14 0 "[ . 1 . 2]"
152 . 1 101 HIS C 1 102 CYS N 1 102 CYS CA 1 102 CYS C -162.35 -102.35 -158.71 -156.75 -157.93 1.43 18 0 "[ . 1 . 2]"
153 . 1 102 CYS N 1 102 CYS CA 1 102 CYS C 1 103 ALA N 136.30 167.14 151.68 142.84 138.70 0.22 6 0 "[ . 1 . 2]"
154 . 1 102 CYS C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -137.80 -103.80 -117.76 -137.91 -103.38 0.42 15 0 "[ . 1 . 2]"
155 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 GLU N 122.60 162.60 161.15 155.53 149.18 0.63 11 0 "[ . 1 . 2]"
156 . 1 103 ALA C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -152.10 -112.10 -148.40 -148.48 -150.04 0.33 14 0 "[ . 1 . 2]"
157 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 MET N 139.60 175.60 163.91 175.64 171.90 0.59 13 0 "[ . 1 . 2]"
158 . 1 104 GLU C 1 105 MET N 1 105 MET CA 1 105 MET C -147.40 -87.40 -97.26 -137.12 -87.06 0.34 11 0 "[ . 1 . 2]"
159 . 1 105 MET N 1 105 MET CA 1 105 MET C 1 106 SER N 119.40 153.40 126.89 136.02 131.03 0.47 9 0 "[ . 1 . 2]"
160 . 1 105 MET C 1 106 SER N 1 106 SER CA 1 106 SER C -115.80 -75.60 -82.26 -100.68 -75.42 0.18 8 0 "[ . 1 . 2]"
161 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 SER N 91.60 132.20 98.68 91.11 130.76 0.49 6 0 "[ . 1 . 2]"
162 . 1 106 SER C 1 107 SER N 1 107 SER CA 1 107 SER C -68.00 -44.00 -66.89 -68.74 -59.55 0.74 6 0 "[ . 1 . 2]"
163 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 ASN N -54.00 -6.00 -23.76 -38.48 -6.12 . . 0 "[ . 1 . 2]"
164 . 1 107 SER C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -76.00 -54.00 -62.66 -69.36 -71.44 0.09 4 0 "[ . 1 . 2]"
165 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 ASN N -33.80 16.20 -33.14 -34.00 -26.28 0.20 15 0 "[ . 1 . 2]"
166 . 1 108 ASN C 1 109 ASN N 1 109 ASN CA 1 109 ASN C -100.00 -42.00 -80.37 -80.47 -80.65 . . 0 "[ . 1 . 2]"
167 . 1 109 ASN N 1 109 ASN CA 1 109 ASN C 1 110 ASN N 93.00 177.00 128.16 123.86 119.98 . . 0 "[ . 1 . 2]"
168 . 1 109 ASN C 1 110 ASN N 1 110 ASN CA 1 110 ASN C -78.00 -42.00 -67.09 -69.10 -72.67 0.07 9 0 "[ . 1 . 2]"
169 . 1 110 ASN N 1 110 ASN CA 1 110 ASN C 1 111 PHE N -33.00 -3.00 -22.82 -19.65 -22.32 0.25 13 0 "[ . 1 . 2]"
170 . 1 110 ASN C 1 111 PHE N 1 111 PHE CA 1 111 PHE C -107.00 -83.00 -83.67 -88.92 -82.80 0.20 7 0 "[ . 1 . 2]"
171 . 1 111 PHE N 1 111 PHE CA 1 111 PHE C 1 112 LEU N -3.00 31.00 6.27 -3.03 16.91 0.03 15 0 "[ . 1 . 2]"
172 . 1 111 PHE C 1 112 LEU N 1 112 LEU CA 1 112 LEU C 48.62 79.62 51.10 42.65 63.83 5.97 19 2 "[ . 1 . - +2]"
173 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 THR N 22.70 50.70 46.39 49.64 44.48 0.46 14 0 "[ . 1 . 2]"
174 . 1 112 LEU C 1 113 THR N 1 113 THR CA 1 113 THR C -154.00 -70.00 -73.87 -81.52 -69.47 0.53 14 0 "[ . 1 . 2]"
175 . 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 TRP N 136.70 -171.30 150.63 136.55 166.63 0.15 2 0 "[ . 1 . 2]"
176 . 1 113 THR C 1 114 TRP N 1 114 TRP CA 1 114 TRP C -123.97 -87.39 -87.67 -91.94 -87.08 0.31 6 0 "[ . 1 . 2]"
177 . 1 114 TRP N 1 114 TRP CA 1 114 TRP C 1 115 SER N 138.02 163.70 160.64 157.01 154.95 0.50 9 0 "[ . 1 . 2]"
178 . 1 114 TRP C 1 115 SER N 1 115 SER CA 1 115 SER C -148.00 -103.20 -145.34 -148.48 -129.79 0.48 4 0 "[ . 1 . 2]"
179 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 SER N 124.70 154.70 144.65 128.41 153.27 . . 0 "[ . 1 . 2]"
180 . 1 115 SER C 1 116 SER N 1 116 SER CA 1 116 SER C -131.40 -85.60 -85.57 -85.48 -85.52 0.50 6 0 "[ . 1 . 2]"
181 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 ASN N 124.10 154.10 145.89 142.05 138.69 0.59 19 0 "[ . 1 . 2]"
182 . 1 116 SER C 1 117 ASN N 1 117 ASN CA 1 117 ASN C -151.10 -107.90 -152.89 -153.52 -152.09 2.42 3 0 "[ . 1 . 2]"
183 . 1 117 ASN N 1 117 ASN CA 1 117 ASN C 1 118 GLU N 125.30 159.70 154.84 142.64 160.65 0.95 11 0 "[ . 1 . 2]"
184 . 1 117 ASN C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -101.80 -59.00 -74.56 -64.14 -68.67 . . 0 "[ . 1 . 2]"
185 . 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 CYS N 116.60 160.20 145.75 148.92 147.40 . . 0 "[ . 1 . 2]"
186 . 1 121 LYS C 1 122 ARG N 1 122 ARG CA 1 122 ARG C -152.31 -66.31 -65.25 -65.47 -65.55 2.37 6 0 "[ . 1 . 2]"
187 . 1 122 ARG N 1 122 ARG CA 1 122 ARG C 1 123 GLN N 87.42 148.22 116.85 118.08 116.65 . . 0 "[ . 1 . 2]"
188 . 1 122 ARG C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -146.55 -70.55 -147.18 -147.64 -147.74 2.70 12 0 "[ . 1 . 2]"
189 . 1 124 HIS N 1 124 HIS CA 1 124 HIS C 1 125 PHE N 143.50 167.70 164.93 160.64 169.22 1.52 9 0 "[ . 1 . 2]"
190 . 1 124 HIS C 1 125 PHE N 1 125 PHE CA 1 125 PHE C -159.90 -135.30 -159.81 -160.43 -160.47 1.02 14 0 "[ . 1 . 2]"
191 . 1 125 PHE N 1 125 PHE CA 1 125 PHE C 1 126 LEU N 136.20 169.20 150.84 148.41 147.18 . . 0 "[ . 1 . 2]"
192 . 1 125 PHE C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -132.70 -108.50 -107.23 -107.81 -106.51 1.99 6 0 "[ . 1 . 2]"
193 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 CYS N 128.80 150.40 142.08 142.75 140.35 0.33 19 0 "[ . 1 . 2]"
194 . 1 126 LEU C 1 127 CYS N 1 127 CYS CA 1 127 CYS C -138.50 -114.50 -115.30 -113.77 -113.92 1.16 9 0 "[ . 1 . 2]"
195 . 1 127 CYS N 1 127 CYS CA 1 127 CYS C 1 128 LYS N 128.90 157.90 149.08 137.04 158.35 0.45 1 0 "[ . 1 . 2]"
196 . 1 127 CYS C 1 128 LYS N 1 128 LYS CA 1 128 LYS C -153.50 -119.50 -127.08 -138.41 -119.02 0.48 18 0 "[ . 1 . 2]"
197 . 1 128 LYS N 1 128 LYS CA 1 128 LYS C 1 129 TYR N 122.70 150.70 151.45 151.48 151.36 1.73 9 0 "[ . 1 . 2]"
198 . 1 128 LYS C 1 129 TYR N 1 129 TYR CA 1 129 TYR C -165.70 -133.70 -133.38 -133.05 -133.20 1.11 4 0 "[ . 1 . 2]"
199 . 1 129 TYR N 1 129 TYR CA 1 129 TYR C 1 130 ARG N 137.10 164.10 138.64 144.02 140.00 0.82 15 0 "[ . 1 . 2]"
200 . 1 129 TYR C 1 130 ARG N 1 130 ARG CA 1 130 ARG C -131.56 -93.84 -106.81 -92.96 -93.30 0.88 2 0 "[ . 1 . 2]"
201 . 1 130 ARG N 1 130 ARG CA 1 130 ARG C 1 131 PRO N 110.55 144.55 140.78 145.59 134.94 1.97 4 0 "[ . 1 . 2]"
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