NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532440 |
2l29   |
17127 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l29
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 79
_TA_constraint_stats_list.Viol_count 48
_TA_constraint_stats_list.Viol_total 840.65
_TA_constraint_stats_list.Viol_max 3.57
_TA_constraint_stats_list.Viol_rms 0.22
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.88
_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 . 2 2 TYR N 2 2 TYR CA 2 2 TYR C 2 3 ARG N 98.40 167.40 128.84 102.22 147.07 . . 0 "[ . 1 . 2]"
2 . 2 2 TYR C 2 3 ARG N 2 3 ARG CA 2 3 ARG C -146.50 -36.90 -107.05 -114.15 -116.60 . . 0 "[ . 1 . 2]"
3 . 2 3 ARG N 2 3 ARG CA 2 3 ARG C 2 4 PRO N 96.40 165.40 136.08 110.03 151.15 . . 0 "[ . 1 . 2]"
4 . 2 6 GLU C 2 7 THR N 2 7 THR CA 2 7 THR C -156.00 -86.00 -113.37 -134.90 -88.62 . . 0 "[ . 1 . 2]"
5 . 2 7 THR N 2 7 THR CA 2 7 THR C 2 8 LEU N 99.80 169.80 124.31 131.55 122.81 1.65 8 0 "[ . 1 . 2]"
6 . 2 7 THR C 2 8 LEU N 2 8 LEU CA 2 8 LEU C -130.60 -60.60 -85.56 -125.58 -60.72 . . 0 "[ . 1 . 2]"
7 . 2 8 LEU N 2 8 LEU CA 2 8 LEU C 2 9 CYS N 93.40 163.40 131.02 93.48 163.81 0.41 3 0 "[ . 1 . 2]"
8 . 2 10 GLY C 2 11 GLY N 2 11 GLY CA 2 11 GLY C -106.40 -16.40 -60.69 -101.03 -44.79 . . 0 "[ . 1 . 2]"
9 . 2 11 GLY N 2 11 GLY CA 2 11 GLY C 2 12 GLU N -75.00 15.00 -50.60 -56.82 -62.38 . . 0 "[ . 1 . 2]"
10 . 2 11 GLY C 2 12 GLU N 2 12 GLU CA 2 12 GLU C -97.40 -27.40 -68.33 -57.41 -61.24 . . 0 "[ . 1 . 2]"
11 . 2 12 GLU N 2 12 GLU CA 2 12 GLU C 2 13 LEU N -71.50 -7.50 -32.14 -49.12 -14.94 . . 0 "[ . 1 . 2]"
12 . 2 12 GLU C 2 13 LEU N 2 13 LEU CA 2 13 LEU C -96.40 -32.40 -62.88 -72.79 -45.52 . . 0 "[ . 1 . 2]"
13 . 2 13 LEU N 2 13 LEU CA 2 13 LEU C 2 14 VAL N -78.70 -12.70 -55.89 -53.73 -57.88 . . 0 "[ . 1 . 2]"
14 . 2 13 LEU C 2 14 VAL N 2 14 VAL CA 2 14 VAL C -92.10 -32.10 -69.44 -72.72 -74.55 . . 0 "[ . 1 . 2]"
15 . 2 14 VAL N 2 14 VAL CA 2 14 VAL C 2 15 ASP N -74.80 -14.80 -30.89 -30.37 -30.37 . . 0 "[ . 1 . 2]"
16 . 2 14 VAL C 2 15 ASP N 2 15 ASP CA 2 15 ASP C -92.40 -32.40 -70.56 -78.34 -59.86 . . 0 "[ . 1 . 2]"
17 . 2 15 ASP N 2 15 ASP CA 2 15 ASP C 2 16 THR N -73.20 -3.20 -40.09 -67.53 -17.56 . . 0 "[ . 1 . 2]"
18 . 2 15 ASP C 2 16 THR N 2 16 THR CA 2 16 THR C -100.10 -40.10 -65.08 -75.00 -56.15 . . 0 "[ . 1 . 2]"
19 . 2 16 THR N 2 16 THR CA 2 16 THR C 2 17 LEU N -66.30 -8.50 -39.73 -39.35 -39.85 . . 0 "[ . 1 . 2]"
20 . 2 16 THR C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -96.90 -26.90 -55.68 -57.37 -58.50 . . 0 "[ . 1 . 2]"
21 . 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 GLN N -74.10 -14.10 -47.65 -50.12 -51.21 . . 0 "[ . 1 . 2]"
22 . 2 17 LEU C 2 18 GLN N 2 18 GLN CA 2 18 GLN C -96.90 -26.90 -72.94 -67.09 -68.89 . . 0 "[ . 1 . 2]"
23 . 2 18 GLN N 2 18 GLN CA 2 18 GLN C 2 19 PHE N -71.00 -11.00 -23.70 -42.89 -10.67 0.33 10 0 "[ . 1 . 2]"
24 . 2 18 GLN C 2 19 PHE N 2 19 PHE CA 2 19 PHE C -99.50 -29.50 -60.28 -55.55 -58.10 . . 0 "[ . 1 . 2]"
25 . 2 19 PHE N 2 19 PHE CA 2 19 PHE C 2 20 VAL N -70.90 -10.90 -57.40 -57.67 -59.25 . . 0 "[ . 1 . 2]"
26 . 2 19 PHE C 2 20 VAL N 2 20 VAL CA 2 20 VAL C -98.20 -38.20 -96.66 -99.71 -91.32 1.51 17 0 "[ . 1 . 2]"
27 . 2 20 VAL N 2 20 VAL CA 2 20 VAL C 2 21 CYS N -73.10 -13.10 -21.29 -29.11 -13.39 . . 0 "[ . 1 . 2]"
28 . 2 20 VAL C 2 21 CYS N 2 21 CYS CA 2 21 CYS C -116.40 -46.40 -105.83 -116.81 -95.98 0.41 5 0 "[ . 1 . 2]"
29 . 2 21 CYS N 2 21 CYS CA 2 21 CYS C 2 22 GLY N -39.80 30.20 18.94 1.08 30.77 0.57 17 0 "[ . 1 . 2]"
30 . 2 22 GLY C 2 23 ASP N 2 23 ASP CA 2 23 ASP C -96.60 -26.60 -72.73 -58.77 -65.93 . . 0 "[ . 1 . 2]"
31 . 2 23 ASP N 2 23 ASP CA 2 23 ASP C 2 24 ARG N -74.20 -4.20 -32.68 -40.73 -42.89 0.57 13 0 "[ . 1 . 2]"
32 . 2 23 ASP C 2 24 ARG N 2 24 ARG CA 2 24 ARG C -99.60 -31.00 -84.32 -100.21 -64.57 0.61 19 0 "[ . 1 . 2]"
33 . 2 24 ARG N 2 24 ARG CA 2 24 ARG C 2 25 GLY N -70.20 -0.20 -41.17 -60.04 -25.03 . . 0 "[ . 1 . 2]"
34 . 2 25 GLY C 2 26 PHE N 2 26 PHE CA 2 26 PHE C -154.00 -84.00 -120.40 -142.57 -88.10 . . 0 "[ . 1 . 2]"
35 . 2 26 PHE N 2 26 PHE CA 2 26 PHE C 2 27 TYR N 109.80 179.80 133.23 134.73 131.11 . . 0 "[ . 1 . 2]"
36 . 2 29 SER C 2 30 ARG N 2 30 ARG CA 2 30 ARG C -122.80 -42.80 -113.11 -123.68 -89.96 0.88 2 0 "[ . 1 . 2]"
37 . 2 30 ARG N 2 30 ARG CA 2 30 ARG C 2 31 PRO N 110.20 -178.60 134.95 107.11 175.54 3.09 6 0 "[ . 1 . 2]"
38 . 2 30 ARG C 2 31 PRO N 2 31 PRO CA 2 31 PRO C -104.70 -24.70 -67.37 -98.70 -53.21 . . 0 "[ . 1 . 2]"
39 . 2 31 PRO N 2 31 PRO CA 2 31 PRO C 2 32 ALA N -65.90 14.10 -26.69 -39.30 -48.59 0.17 3 0 "[ . 1 . 2]"
40 . 2 33 SER C 2 34 ARG N 2 34 ARG CA 2 34 ARG C -105.20 -34.00 -89.29 -104.18 -63.95 . . 0 "[ . 1 . 2]"
41 . 2 34 ARG N 2 34 ARG CA 2 34 ARG C 2 35 VAL N -61.10 10.90 -3.33 1.85 -0.73 . . 0 "[ . 1 . 2]"
42 . 2 34 ARG C 2 35 VAL N 2 35 VAL CA 2 35 VAL C -132.20 -62.20 -102.96 -121.68 -87.09 . . 0 "[ . 1 . 2]"
43 . 2 35 VAL N 2 35 VAL CA 2 35 VAL C 2 36 SER N -48.90 22.30 -8.97 -3.64 -3.80 . . 0 "[ . 1 . 2]"
44 . 2 36 SER C 2 37 ARG N 2 37 ARG CA 2 37 ARG C -117.90 -37.90 -69.70 -85.69 -89.31 . . 0 "[ . 1 . 2]"
45 . 2 37 ARG N 2 37 ARG CA 2 37 ARG C 2 38 ARG N -71.50 8.50 -20.50 -71.34 12.07 3.57 9 0 "[ . 1 . 2]"
46 . 2 42 ILE C 2 43 VAL N 2 43 VAL CA 2 43 VAL C -104.50 -24.50 -55.83 -50.56 -51.34 . . 0 "[ . 1 . 2]"
47 . 2 43 VAL N 2 43 VAL CA 2 43 VAL C 2 44 GLU N -76.80 -6.80 -43.56 -45.01 -46.23 . . 0 "[ . 1 . 2]"
48 . 2 43 VAL C 2 44 GLU N 2 44 GLU CA 2 44 GLU C -96.60 -26.60 -90.36 -97.14 -74.01 0.54 2 0 "[ . 1 . 2]"
49 . 2 44 GLU N 2 44 GLU CA 2 44 GLU C 2 45 GLU N -74.50 -4.50 -31.05 -47.43 -19.28 . . 0 "[ . 1 . 2]"
50 . 2 44 GLU C 2 45 GLU N 2 45 GLU CA 2 45 GLU C -105.10 -41.10 -66.02 -85.22 -54.49 . . 0 "[ . 1 . 2]"
51 . 2 45 GLU N 2 45 GLU CA 2 45 GLU C 2 46 CYS N -66.30 3.70 -37.75 -56.66 -62.39 0.37 1 0 "[ . 1 . 2]"
52 . 2 45 GLU C 2 46 CYS N 2 46 CYS CA 2 46 CYS C -140.00 -60.00 -96.46 -133.84 -73.59 . . 0 "[ . 1 . 2]"
53 . 2 46 CYS N 2 46 CYS CA 2 46 CYS C 2 47 CYS N -47.00 33.00 -9.79 -22.77 2.59 . . 0 "[ . 1 . 2]"
54 . 2 46 CYS C 2 47 CYS N 2 47 CYS CA 2 47 CYS C -103.00 -23.00 -78.89 -80.94 -82.07 . . 0 "[ . 1 . 2]"
55 . 2 47 CYS N 2 47 CYS CA 2 47 CYS C 2 48 PHE N -64.00 16.00 -43.67 -49.01 -50.41 . . 0 "[ . 1 . 2]"
56 . 2 47 CYS C 2 48 PHE N 2 48 PHE CA 2 48 PHE C -142.90 -52.90 -107.55 -98.42 -101.66 . . 0 "[ . 1 . 2]"
57 . 2 48 PHE N 2 48 PHE CA 2 48 PHE C 2 49 ARG N -49.60 40.40 -4.30 -47.57 23.30 . . 0 "[ . 1 . 2]"
58 . 2 49 ARG C 2 50 SER N 2 50 SER CA 2 50 SER C -144.40 -73.60 -93.06 -121.90 -76.04 . . 0 "[ . 1 . 2]"
59 . 2 50 SER N 2 50 SER CA 2 50 SER C 2 51 CYS N 99.10 169.10 126.60 99.94 148.11 . . 0 "[ . 1 . 2]"
60 . 2 50 SER C 2 51 CYS N 2 51 CYS CA 2 51 CYS C -155.50 -84.90 -105.76 -111.38 -118.17 0.23 3 0 "[ . 1 . 2]"
61 . 2 51 CYS N 2 51 CYS CA 2 51 CYS C 2 52 ASP N 126.90 -161.70 142.07 126.75 171.35 0.15 12 0 "[ . 1 . 2]"
62 . 2 51 CYS C 2 52 ASP N 2 52 ASP CA 2 52 ASP C -135.40 -54.80 -94.04 -127.55 -61.71 . . 0 "[ . 1 . 2]"
63 . 2 52 ASP N 2 52 ASP CA 2 52 ASP C 2 53 LEU N 123.30 -156.70 156.29 158.33 154.42 . . 0 "[ . 1 . 2]"
64 . 2 52 ASP C 2 53 LEU N 2 53 LEU CA 2 53 LEU C -99.30 -19.30 -54.16 -53.20 -54.61 . . 0 "[ . 1 . 2]"
65 . 2 53 LEU N 2 53 LEU CA 2 53 LEU C 2 54 ALA N -81.70 -1.70 -32.74 -53.89 -9.16 . . 0 "[ . 1 . 2]"
66 . 2 53 LEU C 2 54 ALA N 2 54 ALA CA 2 54 ALA C -99.70 -29.70 -57.73 -55.89 -56.95 . . 0 "[ . 1 . 2]"
67 . 2 54 ALA N 2 54 ALA CA 2 54 ALA C 2 55 LEU N -73.30 -3.30 -36.75 -41.05 -45.44 . . 0 "[ . 1 . 2]"
68 . 2 54 ALA C 2 55 LEU N 2 55 LEU CA 2 55 LEU C -102.10 -32.10 -64.38 -98.56 -54.24 . . 0 "[ . 1 . 2]"
69 . 2 55 LEU N 2 55 LEU CA 2 55 LEU C 2 56 LEU N -76.60 -6.60 -54.13 -47.53 -49.34 . . 0 "[ . 1 . 2]"
70 . 2 55 LEU C 2 56 LEU N 2 56 LEU CA 2 56 LEU C -97.40 -27.40 -73.89 -83.54 -68.78 . . 0 "[ . 1 . 2]"
71 . 2 56 LEU N 2 56 LEU CA 2 56 LEU C 2 57 GLU N -76.70 -6.70 -29.83 -27.37 -28.53 . . 0 "[ . 1 . 2]"
72 . 2 56 LEU C 2 57 GLU N 2 57 GLU CA 2 57 GLU C -100.10 -30.10 -66.47 -86.48 -54.43 . . 0 "[ . 1 . 2]"
73 . 2 57 GLU N 2 57 GLU CA 2 57 GLU C 2 58 THR N -73.30 -3.30 -47.93 -46.11 -48.54 . . 0 "[ . 1 . 2]"
74 . 2 57 GLU C 2 58 THR N 2 58 THR CA 2 58 THR C -108.40 -26.80 -77.75 -63.58 -73.75 . . 0 "[ . 1 . 2]"
75 . 2 58 THR N 2 58 THR CA 2 58 THR C 2 59 TYR N -72.70 9.10 -23.47 -50.99 -7.91 . . 0 "[ . 1 . 2]"
76 . 2 58 THR C 2 59 TYR N 2 59 TYR CA 2 59 TYR C -110.40 -30.40 -79.24 -73.31 -76.70 . . 0 "[ . 1 . 2]"
77 . 2 59 TYR N 2 59 TYR CA 2 59 TYR C 2 60 CYS N -80.60 -0.60 -60.72 -60.42 -64.51 0.95 6 0 "[ . 1 . 2]"
78 . 2 61 ALA C 2 62 THR N 2 62 THR CA 2 62 THR C -159.00 -58.60 -120.88 -146.64 -62.84 . . 0 "[ . 1 . 2]"
79 . 2 62 THR N 2 62 THR CA 2 62 THR C 2 63 PRO N 54.90 -166.10 141.77 147.36 141.87 . . 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 217
_TA_constraint_stats_list.Viol_count 296
_TA_constraint_stats_list.Viol_total 6949.76
_TA_constraint_stats_list.Viol_max 14.02
_TA_constraint_stats_list.Viol_rms 0.48
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 1.17
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 . 2 3 ARG N 2 3 ARG CA 2 3 ARG CB 2 3 ARG CG 30.00 90.00 57.02 50.77 62.32 . . 0 "[ . 1 . 2]"
2 . 2 6 GLU N 2 6 GLU CA 2 6 GLU CB 2 6 GLU CG -90.00 -30.00 -61.60 -61.61 -64.26 . . 0 "[ . 1 . 2]"
3 . 2 12 GLU N 2 12 GLU CA 2 12 GLU CB 2 12 GLU CG -90.00 -30.00 -57.02 -54.36 -57.04 . . 0 "[ . 1 . 2]"
4 . 2 15 ASP N 2 15 ASP CA 2 15 ASP CB 2 15 ASP CG 150.00 -150.00 -162.64 -178.61 -147.95 2.05 5 0 "[ . 1 . 2]"
5 . 2 18 GLN N 2 18 GLN CA 2 18 GLN CB 2 18 GLN CG 150.00 -150.00 -177.17 -175.42 -176.38 . . 0 "[ . 1 . 2]"
6 . 2 24 ARG N 2 24 ARG CA 2 24 ARG CB 2 24 ARG CG 150.00 -150.00 -178.85 -177.64 -178.87 . . 0 "[ . 1 . 2]"
7 . 2 28 PHE N 2 28 PHE CA 2 28 PHE CB 2 28 PHE CG 30.00 90.00 61.36 60.71 54.58 . . 0 "[ . 1 . 2]"
8 . 2 30 ARG N 2 30 ARG CA 2 30 ARG CB 2 30 ARG CG -90.00 -30.00 -60.06 -59.67 -61.25 . . 0 "[ . 1 . 2]"
9 . 2 42 ILE N 2 42 ILE CA 2 42 ILE CB 2 42 ILE CG1 30.00 90.00 71.39 76.77 75.53 . . 0 "[ . 1 . 2]"
10 . 2 44 GLU N 2 44 GLU CA 2 44 GLU CB 2 44 GLU CG 150.00 -150.00 -162.78 -163.61 -165.96 0.83 20 0 "[ . 1 . 2]"
11 . 2 48 PHE N 2 48 PHE CA 2 48 PHE CB 2 48 PHE CG -90.00 -30.00 -64.40 -70.12 -52.50 . . 0 "[ . 1 . 2]"
12 . 2 60 CYS N 2 60 CYS CA 2 60 CYS CB 2 60 CYS SG 150.00 -150.00 -177.34 167.73 -160.23 . . 0 "[ . 1 . 2]"
13 . 1 9 CYS C 1 10 GLN N 1 10 GLN CA 1 10 GLN C 172.00 -108.00 -158.20 -169.06 -143.60 . . 0 "[ . 1 . 2]"
14 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 VAL N 131.00 -169.00 139.17 129.88 129.33 1.67 1 0 "[ . 1 . 2]"
15 . 1 10 GLN C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -180.00 -100.00 -143.47 -136.03 -137.54 . . 0 "[ . 1 . 2]"
16 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 THR N 113.00 -179.00 141.72 140.52 138.22 . . 0 "[ . 1 . 2]"
17 . 1 11 VAL C 1 12 THR N 1 12 THR CA 1 12 THR C -150.00 -90.00 -106.21 -115.86 -92.92 . . 0 "[ . 1 . 2]"
18 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 ASN N 113.00 173.00 135.65 121.49 145.34 . . 0 "[ . 1 . 2]"
19 . 1 12 THR C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -119.10 -37.90 -85.45 -94.63 -75.29 . . 0 "[ . 1 . 2]"
20 . 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 PRO N 99.30 179.50 116.99 120.78 118.27 . . 0 "[ . 1 . 2]"
21 . 1 13 ASN C 1 14 PRO N 1 14 PRO CA 1 14 PRO C -87.00 -27.00 -67.73 -65.33 -66.34 . . 0 "[ . 1 . 2]"
22 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 SER N -60.00 0.00 -15.84 -27.69 0.46 0.46 10 0 "[ . 1 . 2]"
23 . 1 14 PRO C 1 15 SER N 1 15 SER CA 1 15 SER C -94.00 -34.00 -77.16 -91.15 -68.14 . . 0 "[ . 1 . 2]"
24 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 THR N -66.00 -6.00 -41.89 -50.45 -31.17 . . 0 "[ . 1 . 2]"
25 . 1 15 SER C 1 16 THR N 1 16 THR CA 1 16 THR C -137.00 -77.00 -119.77 -114.31 -118.44 0.65 6 0 "[ . 1 . 2]"
26 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 GLY N -41.00 29.00 -6.26 -20.57 6.86 . . 0 "[ . 1 . 2]"
27 . 1 16 THR C 1 17 GLY N 1 17 GLY CA 1 17 GLY C 49.00 129.00 74.29 57.83 85.95 . . 0 "[ . 1 . 2]"
28 . 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 HIS N -29.00 41.00 27.18 33.26 31.68 . . 0 "[ . 1 . 2]"
29 . 1 17 GLY C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -111.00 -51.00 -93.32 -107.03 -76.27 . . 0 "[ . 1 . 2]"
30 . 1 18 HIS N 1 18 HIS CA 1 18 HIS C 1 19 LEU N 91.00 151.00 124.42 121.90 121.16 . . 0 "[ . 1 . 2]"
31 . 1 18 HIS C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -153.00 -81.00 -92.29 -103.20 -82.47 . . 0 "[ . 1 . 2]"
32 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 PHE N 88.00 158.00 114.29 106.99 121.71 . . 0 "[ . 1 . 2]"
33 . 1 19 LEU C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -145.00 -75.00 -90.87 -89.07 -90.39 . . 0 "[ . 1 . 2]"
34 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 ASP N 103.00 173.00 119.33 111.32 131.39 . . 0 "[ . 1 . 2]"
35 . 1 20 PHE C 1 21 ASP N 1 21 ASP CA 1 21 ASP C -153.00 -69.00 -109.05 -125.64 -98.01 . . 0 "[ . 1 . 2]"
36 . 1 21 ASP N 1 21 ASP CA 1 21 ASP C 1 22 LEU N 87.00 171.00 116.66 101.13 134.72 . . 0 "[ . 1 . 2]"
37 . 1 21 ASP C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -124.00 -40.00 -98.34 -93.86 -97.13 . . 0 "[ . 1 . 2]"
38 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 SER N -49.00 31.00 1.28 -7.91 20.47 . . 0 "[ . 1 . 2]"
39 . 1 22 LEU C 1 23 SER N 1 23 SER CA 1 23 SER C -96.00 -26.00 -68.22 -68.59 -70.19 . . 0 "[ . 1 . 2]"
40 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 SER N -67.00 3.00 -21.72 -32.91 -7.94 . . 0 "[ . 1 . 2]"
41 . 1 23 SER C 1 24 SER N 1 24 SER CA 1 24 SER C -100.00 -30.00 -66.53 -67.32 -68.68 . . 0 "[ . 1 . 2]"
42 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 LEU N -61.00 9.00 -24.95 -32.53 -12.70 . . 0 "[ . 1 . 2]"
43 . 1 24 SER C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -119.00 -49.00 -96.01 -99.09 -101.50 . . 0 "[ . 1 . 2]"
44 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 SER N -45.00 15.00 -0.66 -3.13 -5.16 . . 0 "[ . 1 . 2]"
45 . 1 25 LEU C 1 26 SER N 1 26 SER CA 1 26 SER C -113.40 -13.40 -72.50 -95.20 -60.07 . . 0 "[ . 1 . 2]"
46 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 GLY N 108.30 -151.90 166.86 154.89 -179.62 . . 0 "[ . 1 . 2]"
47 . 1 27 GLY C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -92.00 -32.00 -89.20 -92.92 -74.30 0.92 4 0 "[ . 1 . 2]"
48 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 ALA N -64.00 -4.00 -30.15 -43.36 -2.24 1.76 19 0 "[ . 1 . 2]"
49 . 1 28 ARG C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -95.00 -35.00 -75.85 -73.20 -75.83 . . 0 "[ . 1 . 2]"
50 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 GLY N -68.00 -8.00 -37.56 -34.27 -35.43 . . 0 "[ . 1 . 2]"
51 . 1 30 GLY C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -161.00 -91.00 -131.50 -130.49 -132.84 . . 0 "[ . 1 . 2]"
52 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 THR N 121.00 -179.00 147.74 143.97 143.14 . . 0 "[ . 1 . 2]"
53 . 1 31 PHE C 1 32 THR N 1 32 THR CA 1 32 THR C -158.00 -98.00 -111.00 -106.62 -108.19 . . 0 "[ . 1 . 2]"
54 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 ALA N 118.00 -172.00 129.12 130.76 130.19 0.52 19 0 "[ . 1 . 2]"
55 . 1 32 THR C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -170.00 -98.00 -121.52 -121.83 -123.95 . . 0 "[ . 1 . 2]"
56 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 ALA N 98.00 174.00 140.91 121.78 150.18 . . 0 "[ . 1 . 2]"
57 . 1 34 ALA C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -164.00 -84.00 -132.05 -162.95 -104.36 . . 0 "[ . 1 . 2]"
58 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 SER N 172.00 -104.00 -100.89 -102.72 -99.08 4.92 5 0 "[ . 1 . 2]"
59 . 1 35 TYR C 1 36 SER N 1 36 SER CA 1 36 SER C -130.00 -40.00 -71.89 -68.59 -69.81 . . 0 "[ . 1 . 2]"
60 . 1 36 SER N 1 36 SER CA 1 36 SER C 1 37 LYS N 115.50 -154.50 162.77 151.48 179.95 . . 0 "[ . 1 . 2]"
61 . 1 36 SER C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -111.30 -21.30 -61.62 -94.55 -50.17 . . 0 "[ . 1 . 2]"
62 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 SER N -76.30 13.70 -30.73 -27.24 -37.05 . . 0 "[ . 1 . 2]"
63 . 1 37 LYS C 1 38 SER N 1 38 SER CA 1 38 SER C -138.60 -58.00 -111.91 -139.82 -65.49 1.22 14 0 "[ . 1 . 2]"
64 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 GLY N -42.60 37.40 19.62 32.33 30.72 0.70 8 0 "[ . 1 . 2]"
65 . 1 39 GLY C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -165.10 -95.10 -111.25 -113.58 -121.39 1.08 16 0 "[ . 1 . 2]"
66 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 VAL N 123.10 -176.90 160.91 157.45 152.58 . . 0 "[ . 1 . 2]"
67 . 1 40 VAL C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -143.10 -83.10 -105.89 -107.70 -108.68 . . 0 "[ . 1 . 2]"
68 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 TYR N 100.60 160.60 134.09 134.84 134.63 . . 0 "[ . 1 . 2]"
69 . 1 41 VAL C 1 42 TYR N 1 42 TYR CA 1 42 TYR C -146.90 -65.50 -98.05 -93.27 -93.62 . . 0 "[ . 1 . 2]"
70 . 1 42 TYR N 1 42 TYR CA 1 42 TYR C 1 43 MET N 100.70 -162.90 126.33 99.80 134.84 0.90 4 0 "[ . 1 . 2]"
71 . 1 42 TYR C 1 43 MET N 1 43 MET CA 1 43 MET C -167.00 -91.00 -139.34 -137.44 -139.20 . . 0 "[ . 1 . 2]"
72 . 1 43 MET N 1 43 MET CA 1 43 MET C 1 44 SER N 105.00 175.00 132.73 132.96 128.62 . . 0 "[ . 1 . 2]"
73 . 1 43 MET C 1 44 SER N 1 44 SER CA 1 44 SER C -161.00 -81.00 -118.73 -118.55 -118.89 . . 0 "[ . 1 . 2]"
74 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 ILE N 105.00 175.00 125.22 110.64 137.53 . . 0 "[ . 1 . 2]"
75 . 1 44 SER C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -158.00 -58.00 -81.61 -77.71 -80.98 . . 0 "[ . 1 . 2]"
76 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 CYS N 104.00 -156.00 118.31 118.53 116.97 . . 0 "[ . 1 . 2]"
77 . 1 48 GLU C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -138.00 -58.00 -97.41 -119.06 -78.93 . . 0 "[ . 1 . 2]"
78 . 1 49 ASN C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -108.00 -38.00 -81.71 -73.33 -77.92 . . 0 "[ . 1 . 2]"
79 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 ASN N -46.00 14.00 0.20 0.57 -2.87 . . 0 "[ . 1 . 2]"
80 . 1 51 ASN C 1 52 CYS N 1 52 CYS CA 1 52 CYS C -136.00 -56.00 -135.81 -132.71 -135.81 1.82 7 0 "[ . 1 . 2]"
81 . 1 52 CYS N 1 52 CYS CA 1 52 CYS C 1 53 PRO N 95.00 175.00 164.23 162.16 157.48 0.26 14 0 "[ . 1 . 2]"
82 . 1 52 CYS C 1 53 PRO N 1 53 PRO CA 1 53 PRO C -109.00 -29.00 -31.96 -40.27 -28.34 0.66 12 0 "[ . 1 . 2]"
83 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 PRO N 105.00 -165.00 136.07 118.57 149.51 . . 0 "[ . 1 . 2]"
84 . 1 53 PRO C 1 54 PRO N 1 54 PRO CA 1 54 PRO C -100.00 -20.00 -51.55 -43.64 -44.72 . . 0 "[ . 1 . 2]"
85 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 GLY N 110.00 -170.00 126.35 119.87 130.66 . . 0 "[ . 1 . 2]"
86 . 1 55 GLY C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -109.00 -9.00 -97.18 -109.60 -79.37 0.60 6 0 "[ . 1 . 2]"
87 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 GLY N 102.00 162.00 132.75 134.92 125.38 . . 0 "[ . 1 . 2]"
88 . 1 57 GLY C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -169.00 -65.00 -129.94 -132.18 -133.77 . . 0 "[ . 1 . 2]"
89 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 CYS N 91.00 -153.00 130.20 125.17 139.60 . . 0 "[ . 1 . 2]"
90 . 1 59 CYS C 1 60 PHE N 1 60 PHE CA 1 60 PHE C 174.00 -86.00 -89.11 -112.90 -84.54 1.46 1 0 "[ . 1 . 2]"
91 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 GLY N 111.00 -159.00 143.07 138.38 137.91 . . 0 "[ . 1 . 2]"
92 . 1 61 GLY C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -95.00 -25.00 -78.62 -96.80 -67.18 1.80 17 0 "[ . 1 . 2]"
93 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 THR N -69.00 11.00 -61.80 -72.31 -23.50 3.31 6 0 "[ . 1 . 2]"
94 . 1 62 GLN C 1 63 THR N 1 63 THR CA 1 63 THR C -130.00 -50.00 -108.44 -91.96 -97.85 3.37 5 0 "[ . 1 . 2]"
95 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 ARG N -50.00 50.00 9.72 -3.69 -4.68 . . 0 "[ . 1 . 2]"
96 . 1 64 ARG C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -122.00 -50.00 -91.65 -74.97 -83.06 . . 0 "[ . 1 . 2]"
97 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 SER N 71.00 -177.00 121.14 137.23 132.73 . . 0 "[ . 1 . 2]"
98 . 1 68 GLY C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -132.00 -44.00 -73.42 -75.53 -77.26 . . 0 "[ . 1 . 2]"
99 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 ALA N 100.00 168.00 143.74 153.34 149.32 . . 0 "[ . 1 . 2]"
100 . 1 70 ALA C 1 71 ASN N 1 71 ASN CA 1 71 ASN C -170.00 -90.00 -111.77 -91.20 -93.68 0.82 7 0 "[ . 1 . 2]"
101 . 1 71 ASN N 1 71 ASN CA 1 71 ASN C 1 72 LYS N 119.00 -161.00 168.28 146.65 -172.63 . . 0 "[ . 1 . 2]"
102 . 1 72 LYS C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -144.00 -60.00 -98.01 -123.66 -84.97 . . 0 "[ . 1 . 2]"
103 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 LEU N 77.00 153.00 80.79 87.31 84.77 1.16 6 0 "[ . 1 . 2]"
104 . 1 73 ARG C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -148.00 -64.00 -78.20 -86.37 -89.73 0.72 4 0 "[ . 1 . 2]"
105 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 ARG N 103.00 163.00 127.10 121.36 137.58 . . 0 "[ . 1 . 2]"
106 . 1 74 LEU C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -125.00 -65.00 -123.30 -124.72 -125.20 2.89 5 0 "[ . 1 . 2]"
107 . 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 TYR N 93.00 157.00 138.09 120.68 144.69 . . 0 "[ . 1 . 2]"
108 . 1 75 ARG C 1 76 TYR N 1 76 TYR CA 1 76 TYR C -125.00 -65.00 -107.29 -120.01 -94.00 . . 0 "[ . 1 . 2]"
109 . 1 76 TYR N 1 76 TYR CA 1 76 TYR C 1 77 VAL N 93.00 157.00 108.69 97.38 123.24 . . 0 "[ . 1 . 2]"
110 . 1 76 TYR C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -152.00 -72.00 -127.19 -111.81 -120.97 . . 0 "[ . 1 . 2]"
111 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 ASP N 90.00 160.00 93.48 88.99 110.91 1.01 17 0 "[ . 1 . 2]"
112 . 1 77 VAL C 1 78 ASP N 1 78 ASP CA 1 78 ASP C 18.00 88.00 56.93 50.83 64.01 . . 0 "[ . 1 . 2]"
113 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 GLN N 9.00 79.00 62.45 49.36 72.63 . . 0 "[ . 1 . 2]"
114 . 1 78 ASP C 1 79 GLN N 1 79 GLN CA 1 79 GLN C 29.00 99.00 64.89 57.21 73.99 . . 0 "[ . 1 . 2]"
115 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 VAL N -10.00 60.00 10.58 2.22 -3.56 . . 0 "[ . 1 . 2]"
116 . 1 79 GLN C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -154.00 -70.00 -104.10 -124.23 -88.07 . . 0 "[ . 1 . 2]"
117 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 LEU N 121.00 -179.00 122.69 127.88 124.90 0.93 8 0 "[ . 1 . 2]"
118 . 1 80 VAL C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -144.00 -80.00 -95.15 -100.46 -90.41 . . 0 "[ . 1 . 2]"
119 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 GLN N 108.00 168.00 110.67 107.58 107.22 0.78 1 0 "[ . 1 . 2]"
120 . 1 81 LEU C 1 82 GLN N 1 82 GLN CA 1 82 GLN C -155.00 -99.00 -110.72 -126.77 -98.74 0.26 1 0 "[ . 1 . 2]"
121 . 1 82 GLN N 1 82 GLN CA 1 82 GLN C 1 83 LEU N 117.00 173.00 126.86 116.45 140.08 0.55 6 0 "[ . 1 . 2]"
122 . 1 82 GLN C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -144.00 -84.00 -116.42 -117.83 -121.25 . . 0 "[ . 1 . 2]"
123 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 VAL N 92.00 152.00 107.16 92.48 128.31 . . 0 "[ . 1 . 2]"
124 . 1 83 LEU C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -148.00 -80.00 -100.11 -97.53 -97.99 . . 0 "[ . 1 . 2]"
125 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 TYR N 92.00 152.00 126.88 133.44 132.16 . . 0 "[ . 1 . 2]"
126 . 1 84 VAL C 1 85 TYR N 1 85 TYR CA 1 85 TYR C -140.00 -92.00 -113.77 -122.57 -105.32 . . 0 "[ . 1 . 2]"
127 . 1 85 TYR N 1 85 TYR CA 1 85 TYR C 1 86 LYS N 96.00 152.00 111.61 94.74 142.75 1.26 17 0 "[ . 1 . 2]"
128 . 1 85 TYR C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -158.00 -82.00 -122.79 -131.09 -140.60 0.08 12 0 "[ . 1 . 2]"
129 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 ASP N 139.00 -153.00 177.09 163.07 -172.24 . . 0 "[ . 1 . 2]"
130 . 1 88 GLY C 1 89 SER N 1 89 SER CA 1 89 SER C -132.00 -16.00 -109.56 -88.94 -95.31 1.43 17 0 "[ . 1 . 2]"
131 . 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 PRO N 118.00 178.00 155.97 140.51 173.86 . . 0 "[ . 1 . 2]"
132 . 1 89 SER C 1 90 PRO N 1 90 PRO CA 1 90 PRO C -88.00 -38.00 -56.69 -52.01 -53.94 . . 0 "[ . 1 . 2]"
133 . 1 90 PRO N 1 90 PRO CA 1 90 PRO C 1 91 CYS N 121.00 173.00 127.26 130.78 127.11 1.06 14 0 "[ . 1 . 2]"
134 . 1 90 PRO C 1 91 CYS N 1 91 CYS CA 1 91 CYS C -122.00 -54.00 -77.59 -92.14 -58.47 . . 0 "[ . 1 . 2]"
135 . 1 91 CYS N 1 91 CYS CA 1 91 CYS C 1 92 PRO N 96.00 180.00 120.70 123.15 120.53 . . 0 "[ . 1 . 2]"
136 . 1 93 SER C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -161.00 -71.00 -142.64 -145.90 -148.24 1.84 12 0 "[ . 1 . 2]"
137 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 SER N 51.00 151.00 110.43 116.07 112.04 . . 0 "[ . 1 . 2]"
138 . 1 94 LYS C 1 95 SER N 1 95 SER CA 1 95 SER C -106.00 -26.00 -60.30 -78.85 -44.66 . . 0 "[ . 1 . 2]"
139 . 1 95 SER N 1 95 SER CA 1 95 SER C 1 96 GLY N 93.00 173.00 126.39 141.95 133.93 . . 0 "[ . 1 . 2]"
140 . 1 95 SER C 1 96 GLY N 1 96 GLY CA 1 96 GLY C 45.00 105.00 102.38 84.06 106.83 1.83 3 0 "[ . 1 . 2]"
141 . 1 96 GLY N 1 96 GLY CA 1 96 GLY C 1 97 LEU N -21.00 59.00 -6.81 -21.95 23.18 0.95 19 0 "[ . 1 . 2]"
142 . 1 97 LEU C 1 98 SER N 1 98 SER CA 1 98 SER C -158.00 -38.00 -122.95 -103.19 -111.77 . . 0 "[ . 1 . 2]"
143 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 TYR N 126.00 -174.00 150.43 142.93 157.48 . . 0 "[ . 1 . 2]"
144 . 1 99 TYR C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -178.00 -114.00 -154.23 -158.54 -160.33 . . 0 "[ . 1 . 2]"
145 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 SER N 126.00 -174.00 131.82 125.40 152.72 0.60 6 0 "[ . 1 . 2]"
146 . 1 100 LYS C 1 101 SER N 1 101 SER CA 1 101 SER C -165.60 -105.60 -109.34 -108.79 -112.48 0.96 3 0 "[ . 1 . 2]"
147 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 VAL N 104.70 164.70 125.37 127.88 127.04 . . 0 "[ . 1 . 2]"
148 . 1 101 SER C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -136.00 -76.00 -107.49 -114.21 -98.41 . . 0 "[ . 1 . 2]"
149 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 ILE N 98.00 158.00 105.01 98.10 110.21 . . 0 "[ . 1 . 2]"
150 . 1 102 VAL C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -150.00 -90.00 -93.98 -101.91 -89.63 0.37 12 0 "[ . 1 . 2]"
151 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 SER N 101.00 161.00 114.34 101.37 128.45 . . 0 "[ . 1 . 2]"
152 . 1 103 ILE C 1 104 SER N 1 104 SER CA 1 104 SER C -141.00 -81.00 -114.89 -106.98 -109.12 . . 0 "[ . 1 . 2]"
153 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 PHE N 97.00 157.00 113.13 105.42 101.11 . . 0 "[ . 1 . 2]"
154 . 1 104 SER C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -136.00 -76.00 -89.04 -98.26 -80.27 . . 0 "[ . 1 . 2]"
155 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 VAL N 100.00 152.00 121.25 108.41 130.18 . . 0 "[ . 1 . 2]"
156 . 1 105 PHE C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -144.00 -84.00 -115.67 -122.70 -127.09 . . 0 "[ . 1 . 2]"
157 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 CYS N 102.00 166.00 136.22 124.91 144.16 . . 0 "[ . 1 . 2]"
158 . 1 106 VAL C 1 107 CYS N 1 107 CYS CA 1 107 CYS C -94.00 -14.00 -60.69 -72.13 -50.94 . . 0 "[ . 1 . 2]"
159 . 1 107 CYS N 1 107 CYS CA 1 107 CYS C 1 108 ARG N 99.00 179.00 111.45 113.54 112.56 0.76 13 0 "[ . 1 . 2]"
160 . 1 107 CYS C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -137.00 -49.00 -133.18 -138.49 -122.16 1.49 8 0 "[ . 1 . 2]"
161 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 PRO N 84.00 164.00 94.59 88.95 87.39 . . 0 "[ . 1 . 2]"
162 . 1 109 PRO C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -130.00 -50.00 -79.29 -59.73 -71.50 0.56 16 0 "[ . 1 . 2]"
163 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 ALA N -40.00 40.00 7.65 -41.12 44.39 4.39 14 0 "[ . 1 . 2]"
164 . 1 113 PRO C 1 114 THR N 1 114 THR CA 1 114 THR C -121.00 -51.00 -99.97 -102.72 -105.39 . . 0 "[ . 1 . 2]"
165 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 ASN N -38.00 32.00 -6.37 -27.17 14.40 . . 0 "[ . 1 . 2]"
166 . 1 114 THR C 1 115 ASN N 1 115 ASN CA 1 115 ASN C -128.00 -58.00 -89.01 -94.66 -85.06 . . 0 "[ . 1 . 2]"
167 . 1 116 ARG N 1 116 ARG CA 1 116 ARG C 1 117 PRO N 68.00 138.00 140.10 138.70 141.84 3.84 4 0 "[ . 1 . 2]"
168 . 1 116 ARG C 1 117 PRO N 1 117 PRO CA 1 117 PRO C -105.00 -25.00 -62.11 -69.43 -53.81 . . 0 "[ . 1 . 2]"
169 . 1 117 PRO N 1 117 PRO CA 1 117 PRO C 1 118 MET N 83.00 163.00 107.34 109.62 108.20 . . 0 "[ . 1 . 2]"
170 . 1 117 PRO C 1 118 MET N 1 118 MET CA 1 118 MET C -151.00 -81.00 -107.11 -117.17 -97.44 . . 0 "[ . 1 . 2]"
171 . 1 118 MET N 1 118 MET CA 1 118 MET C 1 119 LEU N 88.00 158.00 137.49 128.56 110.20 . . 0 "[ . 1 . 2]"
172 . 1 118 MET C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -121.00 -51.00 -84.37 -101.90 -71.84 . . 0 "[ . 1 . 2]"
173 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 ILE N 84.00 144.00 116.66 116.62 115.39 . . 0 "[ . 1 . 2]"
174 . 1 119 LEU C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -121.00 -53.00 -76.86 -85.09 -69.40 . . 0 "[ . 1 . 2]"
175 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 SER N -69.00 -9.00 -55.34 -63.09 -49.46 . . 0 "[ . 1 . 2]"
176 . 1 120 ILE C 1 121 SER N 1 121 SER CA 1 121 SER C 175.00 -121.00 -167.88 -167.85 -171.88 . . 0 "[ . 1 . 2]"
177 . 1 121 SER N 1 121 SER CA 1 121 SER C 1 122 LEU N 120.00 180.00 154.30 145.42 173.99 . . 0 "[ . 1 . 2]"
178 . 1 121 SER C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -149.00 -89.00 -116.16 -112.11 -112.63 . . 0 "[ . 1 . 2]"
179 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 ASP N 95.00 155.00 107.55 95.13 117.57 . . 0 "[ . 1 . 2]"
180 . 1 122 LEU C 1 123 ASP N 1 123 ASP CA 1 123 ASP C -130.00 -60.00 -75.00 -85.93 -68.00 . . 0 "[ . 1 . 2]"
181 . 1 123 ASP N 1 123 ASP CA 1 123 ASP C 1 124 LYS N 79.00 159.00 106.22 114.23 110.75 . . 0 "[ . 1 . 2]"
182 . 1 123 ASP C 1 124 LYS N 1 124 LYS CA 1 124 LYS C -91.00 -31.00 -71.88 -89.36 -54.96 . . 0 "[ . 1 . 2]"
183 . 1 124 LYS N 1 124 LYS CA 1 124 LYS C 1 125 GLN N -63.00 7.00 -15.90 -23.96 -28.96 0.24 18 0 "[ . 1 . 2]"
184 . 1 124 LYS C 1 125 GLN N 1 125 GLN CA 1 125 GLN C -107.00 -47.00 -86.23 -103.00 -70.16 . . 0 "[ . 1 . 2]"
185 . 1 125 GLN N 1 125 GLN CA 1 125 GLN C 1 126 THR N -65.00 5.00 -38.55 -45.95 -29.11 . . 0 "[ . 1 . 2]"
186 . 1 125 GLN C 1 126 THR N 1 126 THR CA 1 126 THR C -132.00 -68.00 -99.13 -97.38 -100.48 . . 0 "[ . 1 . 2]"
187 . 1 126 THR N 1 126 THR CA 1 126 THR C 1 127 CYS N -32.00 20.00 -7.21 -1.68 -2.57 . . 0 "[ . 1 . 2]"
188 . 1 126 THR C 1 127 CYS N 1 127 CYS CA 1 127 CYS C 15.00 105.00 61.21 51.24 72.56 . . 0 "[ . 1 . 2]"
189 . 1 127 CYS N 1 127 CYS CA 1 127 CYS C 1 128 THR N -6.00 84.00 39.23 39.39 37.57 . . 0 "[ . 1 . 2]"
190 . 1 127 CYS C 1 128 THR N 1 128 THR CA 1 128 THR C -136.00 -64.00 -105.37 -100.96 -103.23 . . 0 "[ . 1 . 2]"
191 . 1 128 THR N 1 128 THR CA 1 128 THR C 1 129 LEU N 95.00 167.00 129.48 126.86 124.12 . . 0 "[ . 1 . 2]"
192 . 1 128 THR C 1 129 LEU N 1 129 LEU CA 1 129 LEU C -156.00 -84.00 -108.75 -116.85 -98.58 . . 0 "[ . 1 . 2]"
193 . 1 129 LEU N 1 129 LEU CA 1 129 LEU C 1 130 PHE N 108.00 180.00 128.37 119.57 136.03 . . 0 "[ . 1 . 2]"
194 . 1 129 LEU C 1 130 PHE N 1 130 PHE CA 1 130 PHE C -156.00 -84.00 -105.22 -102.09 -104.37 . . 0 "[ . 1 . 2]"
195 . 1 130 PHE N 1 130 PHE CA 1 130 PHE C 1 131 PHE N 106.00 178.00 129.62 116.48 138.83 . . 0 "[ . 1 . 2]"
196 . 1 130 PHE C 1 131 PHE N 1 131 PHE CA 1 131 PHE C -156.00 -86.00 -125.09 -120.11 -123.23 . . 0 "[ . 1 . 2]"
197 . 1 131 PHE N 1 131 PHE CA 1 131 PHE C 1 132 SER N 109.00 179.00 134.67 134.49 132.39 . . 0 "[ . 1 . 2]"
198 . 1 131 PHE C 1 132 SER N 1 132 SER CA 1 132 SER C -160.00 -90.00 -115.56 -125.90 -103.15 . . 0 "[ . 1 . 2]"
199 . 1 132 SER N 1 132 SER CA 1 132 SER C 1 133 TRP N 90.00 160.00 150.03 129.16 159.97 . . 0 "[ . 1 . 2]"
200 . 1 132 SER C 1 133 TRP N 1 133 TRP CA 1 133 TRP C -156.00 -86.00 -150.52 -142.35 -150.38 0.71 18 0 "[ . 1 . 2]"
201 . 1 133 TRP N 1 133 TRP CA 1 133 TRP C 1 134 HIS N 87.00 157.00 109.33 93.50 115.74 . . 0 "[ . 1 . 2]"
202 . 1 133 TRP C 1 134 HIS N 1 134 HIS CA 1 134 HIS C -136.00 -66.00 -100.67 -97.90 -101.20 . . 0 "[ . 1 . 2]"
203 . 1 134 HIS N 1 134 HIS CA 1 134 HIS C 1 135 THR N 87.00 157.00 106.57 95.17 115.56 . . 0 "[ . 1 . 2]"
204 . 1 134 HIS C 1 135 THR N 1 135 THR CA 1 135 THR C -142.30 -82.30 -137.93 -124.26 -132.69 0.65 8 0 "[ . 1 . 2]"
205 . 1 135 THR N 1 135 THR CA 1 135 THR C 1 136 PRO N 86.90 159.30 149.07 149.78 148.99 . . 0 "[ . 1 . 2]"
206 . 1 135 THR C 1 136 PRO N 1 136 PRO CA 1 136 PRO C -95.10 -15.10 -77.14 -77.21 -78.36 . . 0 "[ . 1 . 2]"
207 . 1 136 PRO N 1 136 PRO CA 1 136 PRO C 1 137 LEU N -62.30 10.10 -8.78 -24.31 -0.12 . . 0 "[ . 1 . 2]"
208 . 1 136 PRO C 1 137 LEU N 1 137 LEU CA 1 137 LEU C -99.00 -29.00 -69.21 -70.76 -75.41 . . 0 "[ . 1 . 2]"
209 . 1 137 LEU N 1 137 LEU CA 1 137 LEU C 1 138 ALA N -59.00 11.00 -24.41 -31.04 -1.47 . . 0 "[ . 1 . 2]"
210 . 1 137 LEU C 1 138 ALA N 1 138 ALA CA 1 138 ALA C -131.00 -61.00 -95.38 -97.06 -99.09 . . 0 "[ . 1 . 2]"
211 . 1 138 ALA N 1 138 ALA CA 1 138 ALA C 1 139 CYS N -42.00 28.00 15.94 -7.20 28.66 0.66 20 0 "[ . 1 . 2]"
212 . 1 138 ALA C 1 139 CYS N 1 139 CYS CA 1 139 CYS C -121.00 -51.00 -115.32 -99.69 -105.70 2.90 9 0 "[ . 1 . 2]"
213 . 1 139 CYS N 1 139 CYS CA 1 139 CYS C 1 140 GLU N 88.00 158.00 148.88 154.72 152.13 1.11 9 0 "[ . 1 . 2]"
214 . 1 139 CYS C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -124.00 -48.00 -103.52 -112.06 -115.21 0.64 18 0 "[ . 1 . 2]"
215 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 PRO N 109.00 165.00 123.21 142.26 135.49 14.02 5 3 "[ + -1 *. 2]"
216 . 1 140 GLU C 1 141 PRO N 1 141 PRO CA 1 141 PRO C -109.00 -19.00 -65.75 -87.44 -27.69 . . 0 "[ . 1 . 2]"
217 . 1 141 PRO N 1 141 PRO CA 1 141 PRO C 1 142 GLU N 97.00 -173.00 114.30 94.57 151.04 2.43 9 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_3
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 22
_TA_constraint_stats_list.Viol_count 3
_TA_constraint_stats_list.Viol_total 59.52
_TA_constraint_stats_list.Viol_max 1.14
_TA_constraint_stats_list.Viol_rms 0.08
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.99
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 10 GLN N 1 10 GLN CA 1 10 GLN CB 1 10 GLN CG 30.00 90.00 61.10 49.75 72.98 . . 0 "[ . 1 . 2]"
2 . 1 13 ASN N 1 13 ASN CA 1 13 ASN CB 1 13 ASN CG 150.00 -150.00 173.04 162.12 -175.01 . . 0 "[ . 1 . 2]"
3 . 1 18 HIS N 1 18 HIS CA 1 18 HIS CB 1 18 HIS CG 150.00 -150.00 -172.45 -166.97 -168.93 . . 0 "[ . 1 . 2]"
4 . 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -90.00 -30.00 -58.18 -63.54 -49.24 . . 0 "[ . 1 . 2]"
5 . 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 150.00 -150.00 -176.70 165.78 -160.95 . . 0 "[ . 1 . 2]"
6 . 1 48 GLU N 1 48 GLU CA 1 48 GLU CB 1 48 GLU CG 30.00 90.00 58.91 62.33 61.33 . . 0 "[ . 1 . 2]"
7 . 1 49 ASN N 1 49 ASN CA 1 49 ASN CB 1 49 ASN CG 150.00 -150.00 -174.68 176.76 -169.19 . . 0 "[ . 1 . 2]"
8 . 1 59 CYS N 1 59 CYS CA 1 59 CYS CB 1 59 CYS SG 150.00 -150.00 177.43 164.01 -174.98 . . 0 "[ . 1 . 2]"
9 . 1 60 PHE N 1 60 PHE CA 1 60 PHE CB 1 60 PHE CG -90.00 -30.00 -71.33 -61.08 -64.27 1.14 5 0 "[ . 1 . 2]"
10 . 1 73 ARG N 1 73 ARG CA 1 73 ARG CB 1 73 ARG CG 150.00 -150.00 -163.76 -166.00 -169.19 . . 0 "[ . 1 . 2]"
11 . 1 78 ASP N 1 78 ASP CA 1 78 ASP CB 1 78 ASP CG 150.00 -150.00 -174.60 -174.79 -176.17 . . 0 "[ . 1 . 2]"
12 . 1 82 GLN N 1 82 GLN CA 1 82 GLN CB 1 82 GLN CG 150.00 -150.00 -179.24 167.26 -170.87 . . 0 "[ . 1 . 2]"
13 . 1 86 LYS N 1 86 LYS CA 1 86 LYS CB 1 86 LYS CG 30.00 90.00 54.13 51.59 50.72 . . 0 "[ . 1 . 2]"
14 . 1 87 ASP N 1 87 ASP CA 1 87 ASP CB 1 87 ASP CG -90.00 -30.00 -66.78 -76.54 -53.71 . . 0 "[ . 1 . 2]"
15 . 1 91 CYS N 1 91 CYS CA 1 91 CYS CB 1 91 CYS SG 150.00 -150.00 -172.38 -177.56 -157.82 . . 0 "[ . 1 . 2]"
16 . 1 115 ASN N 1 115 ASN CA 1 115 ASN CB 1 115 ASN CG 150.00 -150.00 -175.19 179.49 -164.88 . . 0 "[ . 1 . 2]"
17 . 1 116 ARG N 1 116 ARG CA 1 116 ARG CB 1 116 ARG CG 30.00 90.00 61.05 54.11 71.55 . . 0 "[ . 1 . 2]"
18 . 1 122 LEU N 1 122 LEU CA 1 122 LEU CB 1 122 LEU CG 150.00 -150.00 174.53 158.00 -157.89 . . 0 "[ . 1 . 2]"
19 . 1 123 ASP N 1 123 ASP CA 1 123 ASP CB 1 123 ASP CG 150.00 -150.00 -175.48 -179.27 -170.32 . . 0 "[ . 1 . 2]"
20 . 1 127 CYS N 1 127 CYS CA 1 127 CYS CB 1 127 CYS SG -90.00 -30.00 -57.84 -61.40 -62.58 . . 0 "[ . 1 . 2]"
21 . 1 129 LEU N 1 129 LEU CA 1 129 LEU CB 1 129 LEU CG -90.00 -30.00 -51.09 -54.54 -55.04 . . 0 "[ . 1 . 2]"
22 . 1 131 PHE N 1 131 PHE CA 1 131 PHE CB 1 131 PHE CG -90.00 -30.00 -67.69 -68.15 -69.95 . . 0 "[ . 1 . 2]"
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 7:44:05 AM GMT (wattos1)