NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610234 |
5k6p   |
30100 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5k6p
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 206
_TA_constraint_stats_list.Viol_count 385
_TA_constraint_stats_list.Viol_total 5514.62
_TA_constraint_stats_list.Viol_max 5.54
_TA_constraint_stats_list.Viol_rms 0.30
_TA_constraint_stats_list.Viol_average_all_restraints 0.07
_TA_constraint_stats_list.Viol_average_violations_only 0.72
_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 6 ASP C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -78.50 -38.50 -55.06 -65.46 -45.93 . . 0 "[ . 1 . 2]"
2 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 TRP N -60.20 -12.40 -34.15 -23.19 -28.22 . . 0 "[ . 1 . 2]"
3 . 1 7 VAL C 1 8 TRP N 1 8 TRP CA 1 8 TRP C -82.40 -42.40 -56.12 -68.62 -45.79 . . 0 "[ . 1 . 2]"
4 . 1 8 TRP N 1 8 TRP CA 1 8 TRP C 1 9 GLU N -59.80 -16.40 -50.60 -52.04 -54.51 0.60 3 0 "[ . 1 . 2]"
5 . 1 8 TRP C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -84.90 -44.90 -81.31 -86.60 -64.85 1.70 20 0 "[ . 1 . 2]"
6 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ILE N -60.40 -20.40 -35.60 -29.60 -31.12 . . 0 "[ . 1 . 2]"
7 . 1 9 GLU C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -87.20 -47.20 -65.05 -74.29 -58.20 . . 0 "[ . 1 . 2]"
8 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 LEU N -60.40 -20.40 -48.47 -48.29 -49.25 . . 0 "[ . 1 . 2]"
9 . 1 10 ILE C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -82.30 -42.30 -68.49 -75.76 -58.97 . . 0 "[ . 1 . 2]"
10 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 ARG N -61.40 -21.40 -32.93 -34.81 -35.97 0.43 9 0 "[ . 1 . 2]"
11 . 1 11 LEU C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -87.70 -47.70 -62.46 -77.68 -54.92 . . 0 "[ . 1 . 2]"
12 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 GLN N -55.60 -15.60 -38.34 -49.78 -27.12 . . 0 "[ . 1 . 2]"
13 . 1 12 ARG C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -112.90 -72.70 -95.66 -100.79 -103.54 . . 0 "[ . 1 . 2]"
14 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 ALA N -39.90 25.70 -3.01 -23.99 7.14 . . 0 "[ . 1 . 2]"
15 . 1 13 GLN C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -153.80 -21.60 -88.04 -77.12 -80.94 . . 0 "[ . 1 . 2]"
16 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 PRO N 56.10 -178.70 153.67 146.45 161.77 . . 0 "[ . 1 . 2]"
17 . 1 16 PRO C 1 17 SER N 1 17 SER CA 1 17 SER C -90.10 -50.10 -77.79 -90.25 -64.15 0.15 4 0 "[ . 1 . 2]"
18 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 GLU N -42.10 -2.10 -13.40 -27.96 -1.19 0.91 18 0 "[ . 1 . 2]"
19 . 1 17 SER C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -111.30 -32.70 -99.77 -111.49 -86.44 0.19 6 0 "[ . 1 . 2]"
20 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 TYR N -63.00 17.80 -7.64 1.13 -0.26 . . 0 "[ . 1 . 2]"
21 . 1 18 GLU C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -84.30 -44.30 -49.61 -51.44 -52.36 0.64 15 0 "[ . 1 . 2]"
22 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 GLU N -55.60 -15.60 -47.19 -44.73 -45.21 . . 0 "[ . 1 . 2]"
23 . 1 19 TYR C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -81.50 -41.50 -63.94 -66.27 -68.04 . . 0 "[ . 1 . 2]"
24 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 ARG N -58.50 -18.50 -39.43 -55.76 -18.99 . . 0 "[ . 1 . 2]"
25 . 1 20 GLU C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -85.90 -45.90 -67.67 -61.73 -62.61 0.40 11 0 "[ . 1 . 2]"
26 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 ILE N -62.20 -22.20 -48.67 -41.02 -42.48 . . 0 "[ . 1 . 2]"
27 . 1 21 ARG C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -83.30 -43.30 -63.37 -73.60 -55.58 . . 0 "[ . 1 . 2]"
28 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 ALA N -63.00 -23.00 -42.52 -49.86 -37.01 . . 0 "[ . 1 . 2]"
29 . 1 22 ILE C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -78.70 -38.70 -58.57 -60.67 -60.84 . . 0 "[ . 1 . 2]"
30 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 PHE N -62.60 -22.60 -57.54 -62.45 -52.38 . . 0 "[ . 1 . 2]"
31 . 1 23 ALA C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -84.30 -44.30 -66.65 -69.81 -61.84 . . 0 "[ . 1 . 2]"
32 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 GLN N -63.60 -23.60 -24.76 -23.54 -24.08 1.88 11 0 "[ . 1 . 2]"
33 . 1 24 PHE C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -84.60 -44.60 -65.83 -71.50 -59.14 . . 0 "[ . 1 . 2]"
34 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 TYR N -58.10 -18.10 -40.16 -47.28 -34.20 . . 0 "[ . 1 . 2]"
35 . 1 25 GLN C 1 26 TYR N 1 26 TYR CA 1 26 TYR C -122.90 -68.70 -95.11 -94.03 -95.59 . . 0 "[ . 1 . 2]"
36 . 1 26 TYR N 1 26 TYR CA 1 26 TYR C 1 27 GLY N -19.90 20.10 -3.15 -20.19 13.23 0.29 4 0 "[ . 1 . 2]"
37 . 1 26 TYR C 1 27 GLY N 1 27 GLY CA 1 27 GLY C 56.70 114.10 91.34 72.49 112.63 . . 0 "[ . 1 . 2]"
38 . 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 VAL N -30.50 47.10 23.42 12.87 -5.73 . . 0 "[ . 1 . 2]"
39 . 1 27 GLY C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -125.80 -53.80 -99.59 -116.57 -83.64 . . 0 "[ . 1 . 2]"
40 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 THR N 71.20 -174.60 112.82 84.67 134.35 . . 0 "[ . 1 . 2]"
41 . 1 28 VAL C 1 29 THR N 1 29 THR CA 1 29 THR C -130.10 -53.10 -89.35 -104.30 -110.78 . . 0 "[ . 1 . 2]"
42 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 ASP N -69.60 22.80 -26.14 -49.72 -5.97 . . 0 "[ . 1 . 2]"
43 . 1 29 THR C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -174.00 -46.00 -97.72 -90.60 -92.52 . . 0 "[ . 1 . 2]"
44 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 LEU N 46.60 158.40 66.08 44.18 100.79 2.42 7 0 "[ . 1 . 2]"
45 . 1 30 ASP C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -75.20 -35.20 -71.71 -76.31 -58.20 1.11 8 0 "[ . 1 . 2]"
46 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 ARG N -64.60 -18.40 -34.66 -64.82 -16.77 1.63 11 0 "[ . 1 . 2]"
47 . 1 31 LEU C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -81.90 -41.90 -66.13 -77.14 -54.93 . . 0 "[ . 1 . 2]"
48 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 GLY N -57.00 -17.00 -34.02 -32.06 -35.14 0.16 9 0 "[ . 1 . 2]"
49 . 1 32 ARG C 1 33 GLY N 1 33 GLY CA 1 33 GLY C -84.70 -44.70 -69.61 -79.25 -61.86 . . 0 "[ . 1 . 2]"
50 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 MET N -58.70 -18.70 -32.26 -39.79 -44.49 0.73 14 0 "[ . 1 . 2]"
51 . 1 33 GLY C 1 34 MET N 1 34 MET CA 1 34 MET C -83.40 -43.40 -67.66 -79.70 -59.99 . . 0 "[ . 1 . 2]"
52 . 1 34 MET N 1 34 MET CA 1 34 MET C 1 35 LEU N -64.30 -24.30 -45.00 -56.25 -32.40 . . 0 "[ . 1 . 2]"
53 . 1 34 MET C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -81.40 -41.40 -66.23 -71.19 -72.79 . . 0 "[ . 1 . 2]"
54 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 LYS N -60.40 -20.40 -36.45 -43.96 -48.84 0.21 14 0 "[ . 1 . 2]"
55 . 1 35 LEU C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -83.00 -43.00 -58.32 -61.21 -62.73 . . 0 "[ . 1 . 2]"
56 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 ARG N -62.30 -22.30 -44.72 -58.46 -27.26 . . 0 "[ . 1 . 2]"
57 . 1 36 LYS C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -85.80 -45.80 -68.41 -64.15 -67.42 . . 0 "[ . 1 . 2]"
58 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 LEU N -62.40 -22.40 -34.21 -50.11 -20.94 1.46 8 0 "[ . 1 . 2]"
59 . 1 37 ARG C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -81.50 -41.50 -73.76 -82.58 -58.64 1.08 10 0 "[ . 1 . 2]"
60 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 LYS N -61.80 -21.80 -29.80 -21.67 -24.92 0.86 2 0 "[ . 1 . 2]"
61 . 1 38 LEU C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -86.60 -46.60 -72.44 -86.95 -62.72 0.35 18 0 "[ . 1 . 2]"
62 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 GLY N -53.70 4.90 -32.71 -30.23 -34.05 0.66 10 0 "[ . 1 . 2]"
63 . 1 49 THR C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -120.70 -55.30 -90.75 -105.64 -72.57 . . 0 "[ . 1 . 2]"
64 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 PHE N -66.10 15.70 -18.43 -11.06 -11.75 . . 0 "[ . 1 . 2]"
65 . 1 50 ALA C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -156.00 -44.20 -98.76 -117.00 -86.92 . . 0 "[ . 1 . 2]"
66 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 GLN N 59.40 161.60 128.59 110.07 146.89 . . 0 "[ . 1 . 2]"
67 . 1 51 PHE C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -111.40 -59.60 -91.17 -103.21 -108.33 . . 0 "[ . 1 . 2]"
68 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 LYS N -55.40 -12.60 -23.97 -43.74 -15.67 . . 0 "[ . 1 . 2]"
69 . 1 52 GLN C 1 53 LYS N 1 53 LYS CA 1 53 LYS C 170.10 -106.50 -157.32 -151.42 -156.46 . . 0 "[ . 1 . 2]"
70 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 LYS N 116.00 161.60 122.20 115.40 135.68 0.60 20 0 "[ . 1 . 2]"
71 . 1 53 LYS C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -161.50 -41.70 -99.67 -100.35 -101.30 . . 0 "[ . 1 . 2]"
72 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 LEU N 119.60 -162.40 170.22 166.21 163.90 . . 0 "[ . 1 . 2]"
73 . 1 54 LYS C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -93.60 -50.60 -67.79 -75.04 -60.12 . . 0 "[ . 1 . 2]"
74 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 GLU N 118.60 165.80 141.58 117.81 155.70 0.79 6 0 "[ . 1 . 2]"
75 . 1 55 LEU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -114.90 -34.10 -64.24 -61.02 -61.83 . . 0 "[ . 1 . 2]"
76 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 PRO N 114.90 173.90 145.86 127.97 161.62 . . 0 "[ . 1 . 2]"
77 . 1 58 ALA C 1 59 TYR N 1 59 TYR CA 1 59 TYR C -166.70 -97.50 -130.85 -142.45 -101.35 . . 0 "[ . 1 . 2]"
78 . 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 GLN N 114.90 -176.10 152.35 143.28 141.46 . . 0 "[ . 1 . 2]"
79 . 1 59 TYR C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -152.70 -112.70 -131.83 -144.87 -112.60 0.10 1 0 "[ . 1 . 2]"
80 . 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 VAL N 105.60 163.00 140.03 135.97 134.06 . . 0 "[ . 1 . 2]"
81 . 1 60 GLN C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -162.90 -119.10 -141.87 -151.19 -133.40 . . 0 "[ . 1 . 2]"
82 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 SER N 115.50 165.90 153.52 143.78 160.87 . . 0 "[ . 1 . 2]"
83 . 1 61 VAL C 1 62 SER N 1 62 SER CA 1 62 SER C -140.80 -29.60 -87.84 -97.23 -79.43 . . 0 "[ . 1 . 2]"
84 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 LYS N 116.60 156.60 148.98 150.28 147.70 0.63 5 0 "[ . 1 . 2]"
85 . 1 62 SER C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -81.30 -30.30 -64.84 -67.32 -70.13 . . 0 "[ . 1 . 2]"
86 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 GLY N 115.90 157.70 124.17 125.59 123.36 0.57 12 0 "[ . 1 . 2]"
87 . 1 63 LYS C 1 64 GLY N 1 64 GLY CA 1 64 GLY C 70.60 110.60 94.59 83.81 108.03 . . 0 "[ . 1 . 2]"
88 . 1 64 GLY N 1 64 GLY CA 1 64 GLY C 1 65 HIS N -32.60 15.20 2.81 -18.51 15.66 0.46 7 0 "[ . 1 . 2]"
89 . 1 64 GLY C 1 65 HIS N 1 65 HIS CA 1 65 HIS C -154.60 -31.80 -102.42 -105.35 -111.07 . . 0 "[ . 1 . 2]"
90 . 1 65 HIS N 1 65 HIS CA 1 65 HIS C 1 66 LYS N 64.40 -160.40 171.97 163.25 156.12 . . 0 "[ . 1 . 2]"
91 . 1 65 HIS C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -170.90 -78.70 -104.05 -119.65 -91.00 . . 0 "[ . 1 . 2]"
92 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 ILE N 123.10 177.10 141.49 134.75 130.39 . . 0 "[ . 1 . 2]"
93 . 1 66 LYS C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -162.10 -122.10 -133.54 -154.98 -120.84 1.26 15 0 "[ . 1 . 2]"
94 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 ARG N 128.60 168.60 141.57 128.58 163.70 0.02 13 0 "[ . 1 . 2]"
95 . 1 67 ILE C 1 68 ARG N 1 68 ARG CA 1 68 ARG C -152.80 -95.80 -120.39 -141.18 -142.64 . . 0 "[ . 1 . 2]"
96 . 1 68 ARG N 1 68 ARG CA 1 68 ARG C 1 69 LEU N 103.80 143.80 122.38 103.58 142.70 0.22 5 0 "[ . 1 . 2]"
97 . 1 68 ARG C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -146.50 -56.70 -97.22 -105.98 -78.90 . . 0 "[ . 1 . 2]"
98 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 THR N 107.70 156.10 124.96 107.47 153.97 0.23 10 0 "[ . 1 . 2]"
99 . 1 69 LEU C 1 70 THR N 1 70 THR CA 1 70 THR C -139.40 -95.60 -118.68 -116.66 -119.04 0.41 13 0 "[ . 1 . 2]"
100 . 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 VAL N 92.60 -171.00 128.92 113.38 144.36 . . 0 "[ . 1 . 2]"
101 . 1 70 THR C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -157.00 -114.20 -131.17 -141.97 -113.86 0.34 12 0 "[ . 1 . 2]"
102 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 GLU N 144.30 -175.70 151.14 144.02 143.85 1.14 13 0 "[ . 1 . 2]"
103 . 1 71 VAL C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -167.70 -76.70 -121.72 -131.50 -108.94 . . 0 "[ . 1 . 2]"
104 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 LEU N 105.50 161.50 134.44 119.25 142.43 . . 0 "[ . 1 . 2]"
105 . 1 72 GLU C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -110.80 -64.20 -97.86 -91.64 -95.57 . . 0 "[ . 1 . 2]"
106 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 ALA N 110.90 -179.10 150.11 138.13 165.44 . . 0 "[ . 1 . 2]"
107 . 1 75 ASP C 1 76 HIS N 1 76 HIS CA 1 76 HIS C -80.40 -40.40 -76.53 -80.97 -63.53 0.57 11 0 "[ . 1 . 2]"
108 . 1 76 HIS N 1 76 HIS CA 1 76 HIS C 1 77 ASP N -46.70 -5.50 -24.00 -25.33 -26.84 . . 0 "[ . 1 . 2]"
109 . 1 76 HIS C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -122.30 -82.30 -100.54 -94.15 -99.88 . . 0 "[ . 1 . 2]"
110 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ALA N -27.00 25.60 17.86 3.19 26.98 1.38 13 0 "[ . 1 . 2]"
111 . 1 78 ALA C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -129.00 -75.60 -110.83 -104.72 -110.50 1.15 20 0 "[ . 1 . 2]"
112 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 VAL N 87.40 -173.80 159.98 137.56 177.31 . . 0 "[ . 1 . 2]"
113 . 1 79 GLU C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -169.20 -107.00 -114.25 -131.36 -105.92 1.08 20 0 "[ . 1 . 2]"
114 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 LYS N 134.90 -178.70 151.71 134.10 167.72 0.80 16 0 "[ . 1 . 2]"
115 . 1 80 VAL C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -160.20 -103.00 -112.86 -132.35 -103.27 . . 0 "[ . 1 . 2]"
116 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 TRP N 95.70 178.90 138.79 116.89 161.22 . . 0 "[ . 1 . 2]"
117 . 1 81 LYS C 1 82 TRP N 1 82 TRP CA 1 82 TRP C -148.10 -90.70 -107.76 -106.93 -110.22 . . 0 "[ . 1 . 2]"
118 . 1 82 TRP N 1 82 TRP CA 1 82 TRP C 1 83 LEU N 104.60 158.00 123.59 113.01 111.51 . . 0 "[ . 1 . 2]"
119 . 1 82 TRP C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -171.00 -88.60 -125.56 -137.64 -114.34 . . 0 "[ . 1 . 2]"
120 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 LYS N 126.00 173.80 137.79 137.67 137.63 0.47 10 0 "[ . 1 . 2]"
121 . 1 83 LEU C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -166.80 -73.60 -112.49 -126.58 -90.81 . . 0 "[ . 1 . 2]"
122 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 ASN N 108.90 148.90 120.59 119.04 118.50 1.50 9 0 "[ . 1 . 2]"
123 . 1 88 GLU C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -130.00 -66.60 -81.85 -111.51 -65.85 0.75 11 0 "[ . 1 . 2]"
124 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 GLN N 102.60 148.60 116.06 101.90 148.75 0.70 18 0 "[ . 1 . 2]"
125 . 1 89 ILE C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -171.90 -49.70 -101.75 -100.30 -100.41 . . 0 "[ . 1 . 2]"
126 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 MET N 122.10 173.70 142.91 122.29 173.85 0.15 15 0 "[ . 1 . 2]"
127 . 1 91 MET C 1 92 SER N 1 92 SER CA 1 92 SER C -117.00 -51.40 -98.12 -117.44 -79.32 0.44 19 0 "[ . 1 . 2]"
128 . 1 92 SER N 1 92 SER CA 1 92 SER C 1 93 GLY N 78.80 162.00 104.82 102.22 101.24 . . 0 "[ . 1 . 2]"
129 . 1 93 GLY C 1 94 SER N 1 94 SER CA 1 94 SER C -122.00 -43.40 -107.66 -99.98 -101.62 0.14 13 0 "[ . 1 . 2]"
130 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 LYS N -57.50 29.30 10.58 -5.76 19.60 . . 0 "[ . 1 . 2]"
131 . 1 94 SER C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -105.50 -49.70 -77.71 -79.45 -82.60 . . 0 "[ . 1 . 2]"
132 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 TYR N -66.70 -7.90 -48.02 -61.12 -32.31 . . 0 "[ . 1 . 2]"
133 . 1 95 LYS C 1 96 TYR N 1 96 TYR CA 1 96 TYR C -163.70 -77.10 -113.40 -102.33 -106.82 . . 0 "[ . 1 . 2]"
134 . 1 96 TYR N 1 96 TYR CA 1 96 TYR C 1 97 ILE N 108.70 -159.90 113.33 107.62 129.05 1.08 15 0 "[ . 1 . 2]"
135 . 1 96 TYR C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -156.70 -81.70 -113.31 -118.29 -121.43 . . 0 "[ . 1 . 2]"
136 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 PHE N 103.00 143.00 115.20 110.15 119.68 . . 0 "[ . 1 . 2]"
137 . 1 97 ILE C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -143.10 -88.90 -87.25 -87.27 -87.37 3.12 11 0 "[ . 1 . 2]"
138 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 GLU N 106.10 153.10 107.92 104.82 115.87 1.28 19 0 "[ . 1 . 2]"
139 . 1 98 PHE C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -151.40 -98.20 -104.39 -100.45 -104.72 0.75 7 0 "[ . 1 . 2]"
140 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 SER N 109.00 159.80 112.68 106.31 138.61 2.69 5 0 "[ . 1 . 2]"
141 . 1 99 GLU C 1 100 SER N 1 100 SER CA 1 100 SER C -131.60 -83.40 -102.64 -92.86 -95.64 . . 0 "[ . 1 . 2]"
142 . 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 ILE N 105.50 145.50 112.53 107.19 106.28 0.83 8 0 "[ . 1 . 2]"
143 . 1 100 SER C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -152.30 -99.70 -116.51 -132.79 -100.37 . . 0 "[ . 1 . 2]"
144 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 GLY N 74.60 160.20 86.06 74.49 103.91 0.11 14 0 "[ . 1 . 2]"
145 . 1 102 GLY C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -121.20 -63.60 -98.66 -121.37 -79.75 0.17 16 0 "[ . 1 . 2]"
146 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 LYS N -36.90 31.10 -17.36 -31.95 3.57 . . 0 "[ . 1 . 2]"
147 . 1 104 LYS C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -147.90 -79.30 -111.84 -125.25 -92.70 . . 0 "[ . 1 . 2]"
148 . 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 THR N 98.80 138.80 122.39 100.77 139.45 0.65 7 0 "[ . 1 . 2]"
149 . 1 105 ARG C 1 106 THR N 1 106 THR CA 1 106 THR C -159.70 -74.70 -119.89 -109.36 -111.41 . . 0 "[ . 1 . 2]"
150 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 LEU N 93.70 166.30 124.51 116.17 145.77 . . 0 "[ . 1 . 2]"
151 . 1 106 THR C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -133.10 -70.30 -99.56 -91.81 -95.64 . . 0 "[ . 1 . 2]"
152 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 THR N 96.80 144.40 110.39 103.85 117.68 . . 0 "[ . 1 . 2]"
153 . 1 107 LEU C 1 108 THR N 1 108 THR CA 1 108 THR C -132.40 -90.00 -97.02 -93.97 -94.26 0.03 6 0 "[ . 1 . 2]"
154 . 1 108 THR N 1 108 THR CA 1 108 THR C 1 109 ILE N 96.00 136.00 110.85 100.38 123.05 . . 0 "[ . 1 . 2]"
155 . 1 108 THR C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -166.10 -55.50 -97.62 -107.54 -111.67 . . 0 "[ . 1 . 2]"
156 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 SER N 91.70 166.90 120.32 110.01 141.18 . . 0 "[ . 1 . 2]"
157 . 1 109 ILE C 1 110 SER N 1 110 SER CA 1 110 SER C -162.40 -46.60 -99.88 -120.72 -86.45 . . 0 "[ . 1 . 2]"
158 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 GLN N 129.40 175.60 135.80 131.76 130.54 0.73 20 0 "[ . 1 . 2]"
159 . 1 111 GLN C 1 112 CYS N 1 112 CYS CA 1 112 CYS C -95.60 -51.20 -66.74 -63.60 -64.48 . . 0 "[ . 1 . 2]"
160 . 1 112 CYS N 1 112 CYS CA 1 112 CYS C 1 113 SER N 113.90 161.90 120.94 112.96 134.75 0.94 19 0 "[ . 1 . 2]"
161 . 1 112 CYS C 1 113 SER N 1 113 SER CA 1 113 SER C -148.70 -64.10 -109.02 -126.00 -94.89 . . 0 "[ . 1 . 2]"
162 . 1 113 SER N 1 113 SER CA 1 113 SER C 1 114 LEU N 123.60 -151.60 -178.35 -175.00 -176.63 . . 0 "[ . 1 . 2]"
163 . 1 113 SER C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -79.70 -39.70 -70.55 -71.72 -72.25 0.09 8 0 "[ . 1 . 2]"
164 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 ALA N -60.10 -15.30 -24.34 -37.92 -14.93 0.37 1 0 "[ . 1 . 2]"
165 . 1 114 LEU C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -88.80 -48.80 -78.01 -78.92 -79.19 . . 0 "[ . 1 . 2]"
166 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 ASP N -60.70 4.30 -10.23 -15.04 -20.58 . . 0 "[ . 1 . 2]"
167 . 1 115 ALA C 1 116 ASP N 1 116 ASP CA 1 116 ASP C -119.40 -79.40 -99.71 -114.15 -80.38 . . 0 "[ . 1 . 2]"
168 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C 1 117 ASP N -21.50 30.90 -5.99 -19.48 -19.67 0.07 3 0 "[ . 1 . 2]"
169 . 1 116 ASP C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -142.90 -24.70 -70.14 -87.36 -50.76 . . 0 "[ . 1 . 2]"
170 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 ALA N 80.30 -173.50 105.45 103.15 100.23 . . 0 "[ . 1 . 2]"
171 . 1 117 ASP C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -172.30 -89.50 -157.92 -169.77 -145.24 . . 0 "[ . 1 . 2]"
172 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 ALA N 131.90 171.90 168.16 162.49 173.67 1.77 18 0 "[ . 1 . 2]"
173 . 1 118 ALA C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -145.70 -85.90 -86.20 -86.59 -87.68 1.23 4 0 "[ . 1 . 2]"
174 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 TYR N 93.40 166.20 126.37 115.35 133.64 . . 0 "[ . 1 . 2]"
175 . 1 119 ALA C 1 120 TYR N 1 120 TYR CA 1 120 TYR C -152.80 -105.00 -107.65 -104.87 -104.96 0.99 8 0 "[ . 1 . 2]"
176 . 1 120 TYR N 1 120 TYR CA 1 120 TYR C 1 121 GLN N 132.50 174.90 137.78 137.87 135.35 0.69 10 0 "[ . 1 . 2]"
177 . 1 120 TYR C 1 121 GLN N 1 121 GLN CA 1 121 GLN C -150.40 -110.40 -128.53 -151.13 -112.08 0.73 4 0 "[ . 1 . 2]"
178 . 1 121 GLN N 1 121 GLN CA 1 121 GLN C 1 122 CYS N 110.40 171.60 135.80 133.98 130.00 . . 0 "[ . 1 . 2]"
179 . 1 121 GLN C 1 122 CYS N 1 122 CYS CA 1 122 CYS C -158.30 -66.50 -106.00 -123.87 -84.45 . . 0 "[ . 1 . 2]"
180 . 1 122 CYS N 1 122 CYS CA 1 122 CYS C 1 123 VAL N 101.00 146.00 115.61 111.38 109.15 . . 0 "[ . 1 . 2]"
181 . 1 122 CYS C 1 123 VAL N 1 123 VAL CA 1 123 VAL C -135.50 -94.90 -108.21 -94.95 -100.49 . . 0 "[ . 1 . 2]"
182 . 1 123 VAL N 1 123 VAL CA 1 123 VAL C 1 124 VAL N 103.90 143.90 124.46 107.98 136.92 . . 0 "[ . 1 . 2]"
183 . 1 123 VAL C 1 124 VAL N 1 124 VAL CA 1 124 VAL C -156.90 -93.10 -121.18 -131.57 -107.28 . . 0 "[ . 1 . 2]"
184 . 1 124 VAL N 1 124 VAL CA 1 124 VAL C 1 125 GLY N 64.00 160.60 160.16 157.07 155.03 2.09 20 0 "[ . 1 . 2]"
185 . 1 124 VAL C 1 125 GLY N 1 125 GLY CA 1 125 GLY C -75.40 -35.40 -65.19 -67.37 -67.58 . . 0 "[ . 1 . 2]"
186 . 1 125 GLY N 1 125 GLY CA 1 125 GLY C 1 126 GLY N 115.10 155.10 112.76 112.73 112.36 5.54 4 2 "[ +. 1 . - 2]"
187 . 1 125 GLY C 1 126 GLY N 1 126 GLY CA 1 126 GLY C 64.40 107.60 101.71 85.36 109.23 1.63 6 0 "[ . 1 . 2]"
188 . 1 126 GLY N 1 126 GLY CA 1 126 GLY C 1 127 GLU N -34.80 24.00 -31.80 -36.67 4.34 1.87 15 0 "[ . 1 . 2]"
189 . 1 127 GLU C 1 128 LYS N 1 128 LYS CA 1 128 LYS C -148.30 -91.90 -140.79 -126.36 -130.85 1.62 11 0 "[ . 1 . 2]"
190 . 1 128 LYS N 1 128 LYS CA 1 128 LYS C 1 129 CYS N 118.30 -179.90 158.66 118.04 178.26 0.26 4 0 "[ . 1 . 2]"
191 . 1 128 LYS C 1 129 CYS N 1 129 CYS CA 1 129 CYS C -164.10 -115.50 -147.07 -160.34 -115.31 0.19 4 0 "[ . 1 . 2]"
192 . 1 129 CYS N 1 129 CYS CA 1 129 CYS C 1 130 SER N 134.60 174.60 139.47 133.28 160.24 1.32 11 0 "[ . 1 . 2]"
193 . 1 129 CYS C 1 130 SER N 1 130 SER CA 1 130 SER C -155.90 -90.10 -119.97 -142.92 -103.73 . . 0 "[ . 1 . 2]"
194 . 1 130 SER N 1 130 SER CA 1 130 SER C 1 131 THR N 104.70 152.90 134.61 126.38 118.99 . . 0 "[ . 1 . 2]"
195 . 1 130 SER C 1 131 THR N 1 131 THR CA 1 131 THR C -145.00 -71.00 -121.38 -144.88 -94.93 . . 0 "[ . 1 . 2]"
196 . 1 131 THR N 1 131 THR CA 1 131 THR C 1 132 GLU N 99.30 149.70 147.02 150.48 150.20 1.55 4 0 "[ . 1 . 2]"
197 . 1 131 THR C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -166.60 -82.80 -107.74 -107.23 -110.48 . . 0 "[ . 1 . 2]"
198 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 LEU N 111.20 173.80 112.12 109.81 119.28 1.39 7 0 "[ . 1 . 2]"
199 . 1 132 GLU C 1 133 LEU N 1 133 LEU CA 1 133 LEU C -169.90 -80.90 -89.89 -99.47 -80.45 0.45 6 0 "[ . 1 . 2]"
200 . 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 PHE N 105.40 145.40 132.38 136.54 134.30 0.70 8 0 "[ . 1 . 2]"
201 . 1 133 LEU C 1 134 PHE N 1 134 PHE CA 1 134 PHE C -138.50 -81.70 -111.84 -123.31 -93.13 . . 0 "[ . 1 . 2]"
202 . 1 134 PHE N 1 134 PHE CA 1 134 PHE C 1 135 VAL N 108.40 148.40 113.53 113.50 111.23 0.80 6 0 "[ . 1 . 2]"
203 . 1 134 PHE C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -130.70 -90.70 -93.29 -102.51 -90.04 0.66 8 0 "[ . 1 . 2]"
204 . 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 LYS N 102.00 142.20 116.73 114.23 113.13 . . 0 "[ . 1 . 2]"
205 . 1 135 VAL C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -157.60 -94.20 -104.19 -116.11 -93.73 0.47 3 0 "[ . 1 . 2]"
206 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 GLU N 89.30 146.50 123.36 126.59 124.13 0.33 7 0 "[ . 1 . 2]"
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