NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463487 |
2yra   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2yra
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 252
_TA_constraint_stats_list.Viol_count 24
_TA_constraint_stats_list.Viol_total 166.63
_TA_constraint_stats_list.Viol_max 1.82
_TA_constraint_stats_list.Viol_rms 0.04
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.35
_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 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG -90.00 -150.00 -129.47 -165.25 -170.04 . . 0 "[ . 1 . 2]"
2 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 30.00 -30.00 -129.47 -165.25 -170.04 . . 0 "[ . 1 . 2]"
3 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 150.00 90.00 -129.47 -165.25 -170.04 . . 0 "[ . 1 . 2]"
4 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG -90.00 -150.00 -114.18 54.24 -51.82 . . 0 "[ . 1 . 2]"
5 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 30.00 -30.00 -114.18 54.24 -51.82 . . 0 "[ . 1 . 2]"
6 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 150.00 90.00 -114.18 54.24 -51.82 . . 0 "[ . 1 . 2]"
7 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG -90.00 -150.00 129.18 54.57 -56.14 . . 0 "[ . 1 . 2]"
8 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 30.00 -30.00 129.18 54.57 -56.14 . . 0 "[ . 1 . 2]"
9 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 150.00 90.00 129.18 54.57 -56.14 . . 0 "[ . 1 . 2]"
10 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG -90.00 -150.00 -63.14 176.66 65.94 . . 0 "[ . 1 . 2]"
11 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 30.00 -30.00 -63.14 176.66 65.94 . . 0 "[ . 1 . 2]"
12 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 150.00 90.00 -63.14 176.66 65.94 . . 0 "[ . 1 . 2]"
13 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG -90.00 -150.00 -86.97 -84.88 -86.19 0.07 14 0 "[ . 1 . 2]"
14 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 30.00 -30.00 -86.97 -84.88 -86.19 . . 0 "[ . 1 . 2]"
15 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 150.00 90.00 -86.97 -84.88 -86.19 . . 0 "[ . 1 . 2]"
16 CHI1 1 9 SER N 1 9 SER CA 1 9 SER CB 1 9 SER OG -90.00 -150.00 -57.30 -57.12 -63.23 . . 0 "[ . 1 . 2]"
17 CHI1 1 9 SER N 1 9 SER CA 1 9 SER CB 1 9 SER OG 30.00 -30.00 -57.30 -57.12 -63.23 . . 0 "[ . 1 . 2]"
18 CHI1 1 9 SER N 1 9 SER CA 1 9 SER CB 1 9 SER OG 150.00 90.00 -57.30 -57.12 -63.23 . . 0 "[ . 1 . 2]"
19 CHI1 1 10 ASP N 1 10 ASP CA 1 10 ASP CB 1 10 ASP CG -90.00 -150.00 -8.36 -169.27 63.97 . . 0 "[ . 1 . 2]"
20 CHI1 1 10 ASP N 1 10 ASP CA 1 10 ASP CB 1 10 ASP CG 30.00 -30.00 -8.36 -169.27 63.97 . . 0 "[ . 1 . 2]"
21 CHI1 1 10 ASP N 1 10 ASP CA 1 10 ASP CB 1 10 ASP CG 150.00 90.00 -8.36 -169.27 63.97 . . 0 "[ . 1 . 2]"
22 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG -90.00 -150.00 -66.85 -60.74 -63.82 . . 0 "[ . 1 . 2]"
23 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 30.00 -30.00 -66.85 -60.74 -63.82 . . 0 "[ . 1 . 2]"
24 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 150.00 90.00 -66.85 -60.74 -63.82 . . 0 "[ . 1 . 2]"
25 CHI2 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 1 11 LEU CD1 -90.00 -150.00 160.01 151.64 -56.38 . . 0 "[ . 1 . 2]"
26 CHI2 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 1 11 LEU CD1 30.00 -30.00 160.01 151.64 -56.38 . . 0 "[ . 1 . 2]"
27 CHI2 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 1 11 LEU CD1 150.00 90.00 160.01 151.64 -56.38 . . 0 "[ . 1 . 2]"
28 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG -90.00 -150.00 10.77 -80.68 73.33 . . 0 "[ . 1 . 2]"
29 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 30.00 -30.00 10.77 -80.68 73.33 . . 0 "[ . 1 . 2]"
30 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 150.00 90.00 10.77 -80.68 73.33 . . 0 "[ . 1 . 2]"
31 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD -90.00 -150.00 -153.49 52.37 -58.98 . . 0 "[ . 1 . 2]"
32 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD 30.00 -30.00 -153.49 52.37 -58.98 . . 0 "[ . 1 . 2]"
33 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD 150.00 90.00 -153.49 52.37 -58.98 . . 0 "[ . 1 . 2]"
34 CHI1 1 14 ILE N 1 14 ILE CA 1 14 ILE CB 1 14 ILE CG1 -90.00 -150.00 168.21 165.85 164.87 . . 0 "[ . 1 . 2]"
35 CHI1 1 14 ILE N 1 14 ILE CA 1 14 ILE CB 1 14 ILE CG1 30.00 -30.00 168.21 165.85 164.87 . . 0 "[ . 1 . 2]"
36 CHI1 1 14 ILE N 1 14 ILE CA 1 14 ILE CB 1 14 ILE CG1 150.00 90.00 168.21 165.85 164.87 . . 0 "[ . 1 . 2]"
37 CHI21 1 14 ILE CA 1 14 ILE CB 1 14 ILE CG1 1 14 ILE CD1 -90.00 -150.00 154.49 154.77 152.97 . . 0 "[ . 1 . 2]"
38 CHI21 1 14 ILE CA 1 14 ILE CB 1 14 ILE CG1 1 14 ILE CD1 30.00 -30.00 154.49 154.77 152.97 . . 0 "[ . 1 . 2]"
39 CHI21 1 14 ILE CA 1 14 ILE CB 1 14 ILE CG1 1 14 ILE CD1 150.00 90.00 154.49 154.77 152.97 0.05 15 0 "[ . 1 . 2]"
40 CHI1 1 15 GLN N 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG -90.00 -150.00 -57.60 -85.92 68.27 . . 0 "[ . 1 . 2]"
41 CHI1 1 15 GLN N 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG 30.00 -30.00 -57.60 -85.92 68.27 . . 0 "[ . 1 . 2]"
42 CHI1 1 15 GLN N 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG 150.00 90.00 -57.60 -85.92 68.27 . . 0 "[ . 1 . 2]"
43 CHI2 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG 1 15 GLN CD -90.00 -150.00 -173.75 -87.77 -153.16 . . 0 "[ . 1 . 2]"
44 CHI2 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG 1 15 GLN CD 30.00 -30.00 -173.75 -87.77 -153.16 . . 0 "[ . 1 . 2]"
45 CHI2 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG 1 15 GLN CD 150.00 90.00 -173.75 -87.77 -153.16 . . 0 "[ . 1 . 2]"
46 CHI1 1 16 ASN N 1 16 ASN CA 1 16 ASN CB 1 16 ASN CG -90.00 -150.00 -88.02 -53.38 -64.35 0.04 15 0 "[ . 1 . 2]"
47 CHI1 1 16 ASN N 1 16 ASN CA 1 16 ASN CB 1 16 ASN CG 30.00 -30.00 -88.02 -53.38 -64.35 . . 0 "[ . 1 . 2]"
48 CHI1 1 16 ASN N 1 16 ASN CA 1 16 ASN CB 1 16 ASN CG 150.00 90.00 -88.02 -53.38 -64.35 . . 0 "[ . 1 . 2]"
49 CHI1 1 18 TRP N 1 18 TRP CA 1 18 TRP CB 1 18 TRP CG -90.00 -150.00 64.17 68.99 60.49 . . 0 "[ . 1 . 2]"
50 CHI1 1 18 TRP N 1 18 TRP CA 1 18 TRP CB 1 18 TRP CG 30.00 -30.00 64.17 68.99 60.49 . . 0 "[ . 1 . 2]"
51 CHI1 1 18 TRP N 1 18 TRP CA 1 18 TRP CB 1 18 TRP CG 150.00 90.00 64.17 68.99 60.49 . . 0 "[ . 1 . 2]"
52 CHI1 1 19 LYS N 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG -90.00 -150.00 61.97 51.52 -59.81 . . 0 "[ . 1 . 2]"
53 CHI1 1 19 LYS N 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG 30.00 -30.00 61.97 51.52 -59.81 . . 0 "[ . 1 . 2]"
54 CHI1 1 19 LYS N 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG 150.00 90.00 61.97 51.52 -59.81 . . 0 "[ . 1 . 2]"
55 CHI2 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG 1 19 LYS CD -90.00 -150.00 157.12 175.38 162.48 . . 0 "[ . 1 . 2]"
56 CHI2 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG 1 19 LYS CD 30.00 -30.00 157.12 175.38 162.48 . . 0 "[ . 1 . 2]"
57 CHI2 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG 1 19 LYS CD 150.00 90.00 157.12 175.38 162.48 0.02 12 0 "[ . 1 . 2]"
58 CHI3 1 19 LYS CB 1 19 LYS CG 1 19 LYS CD 1 19 LYS CE -90.00 -150.00 165.06 74.18 -75.95 0.04 20 0 "[ . 1 . 2]"
59 CHI3 1 19 LYS CB 1 19 LYS CG 1 19 LYS CD 1 19 LYS CE 30.00 -30.00 165.06 74.18 -75.95 . . 0 "[ . 1 . 2]"
60 CHI3 1 19 LYS CB 1 19 LYS CG 1 19 LYS CD 1 19 LYS CE 150.00 90.00 165.06 74.18 -75.95 . . 0 "[ . 1 . 2]"
61 CHI4 1 19 LYS CG 1 19 LYS CD 1 19 LYS CE 1 19 LYS NZ -90.00 -150.00 112.18 153.81 87.04 . . 0 "[ . 1 . 2]"
62 CHI4 1 19 LYS CG 1 19 LYS CD 1 19 LYS CE 1 19 LYS NZ 30.00 -30.00 112.18 153.81 87.04 . . 0 "[ . 1 . 2]"
63 CHI4 1 19 LYS CG 1 19 LYS CD 1 19 LYS CE 1 19 LYS NZ 150.00 90.00 112.18 153.81 87.04 . . 0 "[ . 1 . 2]"
64 CHI1 1 20 THR N 1 20 THR CA 1 20 THR CB 1 20 THR OG1 -90.00 -150.00 62.46 32.31 -177.52 . . 0 "[ . 1 . 2]"
65 CHI1 1 20 THR N 1 20 THR CA 1 20 THR CB 1 20 THR OG1 30.00 -30.00 62.46 32.31 -177.52 . . 0 "[ . 1 . 2]"
66 CHI1 1 20 THR N 1 20 THR CA 1 20 THR CB 1 20 THR OG1 150.00 90.00 62.46 32.31 -177.52 . . 0 "[ . 1 . 2]"
67 CHI1 1 21 THR N 1 21 THR CA 1 21 THR CB 1 21 THR OG1 -90.00 -150.00 84.23 -54.91 -174.66 . . 0 "[ . 1 . 2]"
68 CHI1 1 21 THR N 1 21 THR CA 1 21 THR CB 1 21 THR OG1 30.00 -30.00 84.23 -54.91 -174.66 . . 0 "[ . 1 . 2]"
69 CHI1 1 21 THR N 1 21 THR CA 1 21 THR CB 1 21 THR OG1 150.00 90.00 84.23 -54.91 -174.66 . . 0 "[ . 1 . 2]"
70 CHI1 1 22 SER N 1 22 SER CA 1 22 SER CB 1 22 SER OG -90.00 -150.00 -111.35 -168.80 -173.81 . . 0 "[ . 1 . 2]"
71 CHI1 1 22 SER N 1 22 SER CA 1 22 SER CB 1 22 SER OG 30.00 -30.00 -111.35 -168.80 -173.81 . . 0 "[ . 1 . 2]"
72 CHI1 1 22 SER N 1 22 SER CA 1 22 SER CB 1 22 SER OG 150.00 90.00 -111.35 -168.80 -173.81 . . 0 "[ . 1 . 2]"
73 CHI1 1 23 HIS N 1 23 HIS CA 1 23 HIS CB 1 23 HIS CG -90.00 -150.00 -111.07 153.27 46.59 . . 0 "[ . 1 . 2]"
74 CHI1 1 23 HIS N 1 23 HIS CA 1 23 HIS CB 1 23 HIS CG 30.00 -30.00 -111.07 153.27 46.59 . . 0 "[ . 1 . 2]"
75 CHI1 1 23 HIS N 1 23 HIS CA 1 23 HIS CB 1 23 HIS CG 150.00 90.00 -111.07 153.27 46.59 . . 0 "[ . 1 . 2]"
76 CHI1 1 24 THR N 1 24 THR CA 1 24 THR CB 1 24 THR OG1 -90.00 -150.00 -8.99 49.90 -39.24 . . 0 "[ . 1 . 2]"
77 CHI1 1 24 THR N 1 24 THR CA 1 24 THR CB 1 24 THR OG1 30.00 -30.00 -8.99 49.90 -39.24 . . 0 "[ . 1 . 2]"
78 CHI1 1 24 THR N 1 24 THR CA 1 24 THR CB 1 24 THR OG1 150.00 90.00 -8.99 49.90 -39.24 . . 0 "[ . 1 . 2]"
79 CHI1 1 25 GLU N 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG -90.00 -150.00 -84.84 -151.47 -57.53 . . 0 "[ . 1 . 2]"
80 CHI1 1 25 GLU N 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 30.00 -30.00 -84.84 -151.47 -57.53 . . 0 "[ . 1 . 2]"
81 CHI1 1 25 GLU N 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 150.00 90.00 -84.84 -151.47 -57.53 . . 0 "[ . 1 . 2]"
82 CHI2 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 1 25 GLU CD -90.00 -150.00 -124.89 49.10 -54.56 . . 0 "[ . 1 . 2]"
83 CHI2 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 1 25 GLU CD 30.00 -30.00 -124.89 49.10 -54.56 . . 0 "[ . 1 . 2]"
84 CHI2 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 1 25 GLU CD 150.00 90.00 -124.89 49.10 -54.56 . . 0 "[ . 1 . 2]"
85 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG -90.00 -150.00 -62.21 -50.67 -53.67 . . 0 "[ . 1 . 2]"
86 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 30.00 -30.00 -62.21 -50.67 -53.67 . . 0 "[ . 1 . 2]"
87 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 150.00 90.00 -62.21 -50.67 -53.67 . . 0 "[ . 1 . 2]"
88 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 -90.00 -150.00 166.15 167.27 166.74 . . 0 "[ . 1 . 2]"
89 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 30.00 -30.00 166.15 167.27 166.74 . . 0 "[ . 1 . 2]"
90 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 150.00 90.00 166.15 167.27 166.74 1.82 7 0 "[ . 1 . 2]"
91 CHI1 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 -90.00 -150.00 -62.33 -60.02 -61.15 . . 0 "[ . 1 . 2]"
92 CHI1 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 30.00 -30.00 -62.33 -60.02 -61.15 . . 0 "[ . 1 . 2]"
93 CHI1 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 150.00 90.00 -62.33 -60.02 -61.15 . . 0 "[ . 1 . 2]"
94 CHI1 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG -90.00 -150.00 -66.53 -68.24 -69.86 . . 0 "[ . 1 . 2]"
95 CHI1 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 30.00 -30.00 -66.53 -68.24 -69.86 . . 0 "[ . 1 . 2]"
96 CHI1 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 150.00 90.00 -66.53 -68.24 -69.86 . . 0 "[ . 1 . 2]"
97 CHI2 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD -90.00 -150.00 -175.13 159.65 -88.39 . . 0 "[ . 1 . 2]"
98 CHI2 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 30.00 -30.00 -175.13 159.65 -88.39 . . 0 "[ . 1 . 2]"
99 CHI2 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 150.00 90.00 -175.13 159.65 -88.39 . . 0 "[ . 1 . 2]"
100 CHI3 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 1 28 ARG NE -90.00 -150.00 -82.62 46.26 -59.71 0.16 3 0 "[ . 1 . 2]"
101 CHI3 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 1 28 ARG NE 30.00 -30.00 -82.62 46.26 -59.71 . . 0 "[ . 1 . 2]"
102 CHI3 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 1 28 ARG NE 150.00 90.00 -82.62 46.26 -59.71 0.10 6 0 "[ . 1 . 2]"
103 CHI1 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG -90.00 -150.00 156.46 61.16 -55.28 0.28 1 0 "[ . 1 . 2]"
104 CHI1 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 30.00 -30.00 156.46 61.16 -55.28 . . 0 "[ . 1 . 2]"
105 CHI1 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 150.00 90.00 156.46 61.16 -55.28 . . 0 "[ . 1 . 2]"
106 CHI2 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD -90.00 -150.00 -168.38 -164.47 -168.98 0.85 3 0 "[ . 1 . 2]"
107 CHI2 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 30.00 -30.00 -168.38 -164.47 -168.98 . . 0 "[ . 1 . 2]"
108 CHI2 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 150.00 90.00 -168.38 -164.47 -168.98 . . 0 "[ . 1 . 2]"
109 CHI3 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 1 31 ARG NE -90.00 -150.00 -152.78 60.67 -63.35 . . 0 "[ . 1 . 2]"
110 CHI3 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 1 31 ARG NE 30.00 -30.00 -152.78 60.67 -63.35 . . 0 "[ . 1 . 2]"
111 CHI3 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 1 31 ARG NE 150.00 90.00 -152.78 60.67 -63.35 . . 0 "[ . 1 . 2]"
112 CHI1 1 32 ILE N 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 -90.00 -150.00 -54.43 -50.44 -50.77 . . 0 "[ . 1 . 2]"
113 CHI1 1 32 ILE N 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 30.00 -30.00 -54.43 -50.44 -50.77 . . 0 "[ . 1 . 2]"
114 CHI1 1 32 ILE N 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 150.00 90.00 -54.43 -50.44 -50.77 . . 0 "[ . 1 . 2]"
115 CHI21 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 1 32 ILE CD1 -90.00 -150.00 -153.63 158.38 -53.12 . . 0 "[ . 1 . 2]"
116 CHI21 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 1 32 ILE CD1 30.00 -30.00 -153.63 158.38 -53.12 . . 0 "[ . 1 . 2]"
117 CHI21 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 1 32 ILE CD1 150.00 90.00 -153.63 158.38 -53.12 . . 0 "[ . 1 . 2]"
118 CHI1 1 33 THR N 1 33 THR CA 1 33 THR CB 1 33 THR OG1 -90.00 -150.00 -64.21 -164.50 -44.69 . . 0 "[ . 1 . 2]"
119 CHI1 1 33 THR N 1 33 THR CA 1 33 THR CB 1 33 THR OG1 30.00 -30.00 -64.21 -164.50 -44.69 . . 0 "[ . 1 . 2]"
120 CHI1 1 33 THR N 1 33 THR CA 1 33 THR CB 1 33 THR OG1 150.00 90.00 -64.21 -164.50 -44.69 . . 0 "[ . 1 . 2]"
121 CHI1 1 34 TYR N 1 34 TYR CA 1 34 TYR CB 1 34 TYR CG -90.00 -150.00 -83.21 -79.82 -81.09 . . 0 "[ . 1 . 2]"
122 CHI1 1 34 TYR N 1 34 TYR CA 1 34 TYR CB 1 34 TYR CG 30.00 -30.00 -83.21 -79.82 -81.09 . . 0 "[ . 1 . 2]"
123 CHI1 1 34 TYR N 1 34 TYR CA 1 34 TYR CB 1 34 TYR CG 150.00 90.00 -83.21 -79.82 -81.09 . . 0 "[ . 1 . 2]"
124 CHI1 1 35 GLN N 1 35 GLN CA 1 35 GLN CB 1 35 GLN CG -90.00 -150.00 -110.75 178.34 -63.71 . . 0 "[ . 1 . 2]"
125 CHI1 1 35 GLN N 1 35 GLN CA 1 35 GLN CB 1 35 GLN CG 30.00 -30.00 -110.75 178.34 -63.71 . . 0 "[ . 1 . 2]"
126 CHI1 1 35 GLN N 1 35 GLN CA 1 35 GLN CB 1 35 GLN CG 150.00 90.00 -110.75 178.34 -63.71 . . 0 "[ . 1 . 2]"
127 CHI2 1 35 GLN CA 1 35 GLN CB 1 35 GLN CG 1 35 GLN CD -90.00 -150.00 125.97 56.04 -76.84 . . 0 "[ . 1 . 2]"
128 CHI2 1 35 GLN CA 1 35 GLN CB 1 35 GLN CG 1 35 GLN CD 30.00 -30.00 125.97 56.04 -76.84 . . 0 "[ . 1 . 2]"
129 CHI2 1 35 GLN CA 1 35 GLN CB 1 35 GLN CG 1 35 GLN CD 150.00 90.00 125.97 56.04 -76.84 . . 0 "[ . 1 . 2]"
130 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG -90.00 -150.00 -58.52 -58.28 -59.28 . . 0 "[ . 1 . 2]"
131 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 30.00 -30.00 -58.52 -58.28 -59.28 . . 0 "[ . 1 . 2]"
132 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 150.00 90.00 -58.52 -58.28 -59.28 . . 0 "[ . 1 . 2]"
133 CHI1 1 37 ASP N 1 37 ASP CA 1 37 ASP CB 1 37 ASP CG -90.00 -150.00 -81.04 -81.10 -83.53 . . 0 "[ . 1 . 2]"
134 CHI1 1 37 ASP N 1 37 ASP CA 1 37 ASP CB 1 37 ASP CG 30.00 -30.00 -81.04 -81.10 -83.53 . . 0 "[ . 1 . 2]"
135 CHI1 1 37 ASP N 1 37 ASP CA 1 37 ASP CB 1 37 ASP CG 150.00 90.00 -81.04 -81.10 -83.53 . . 0 "[ . 1 . 2]"
136 CHI1 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG -90.00 -150.00 -71.95 -76.27 -62.35 . . 0 "[ . 1 . 2]"
137 CHI1 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG 30.00 -30.00 -71.95 -76.27 -62.35 . . 0 "[ . 1 . 2]"
138 CHI1 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG 150.00 90.00 -71.95 -76.27 -62.35 . . 0 "[ . 1 . 2]"
139 CHI1 1 41 ASP N 1 41 ASP CA 1 41 ASP CB 1 41 ASP CG -90.00 -150.00 -130.52 42.50 -61.93 . . 0 "[ . 1 . 2]"
140 CHI1 1 41 ASP N 1 41 ASP CA 1 41 ASP CB 1 41 ASP CG 30.00 -30.00 -130.52 42.50 -61.93 . . 0 "[ . 1 . 2]"
141 CHI1 1 41 ASP N 1 41 ASP CA 1 41 ASP CB 1 41 ASP CG 150.00 90.00 -130.52 42.50 -61.93 . . 0 "[ . 1 . 2]"
142 CHI1 1 42 ILE N 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 -90.00 -150.00 -67.06 -74.90 -62.67 . . 0 "[ . 1 . 2]"
143 CHI1 1 42 ILE N 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 30.00 -30.00 -67.06 -74.90 -62.67 . . 0 "[ . 1 . 2]"
144 CHI1 1 42 ILE N 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 150.00 90.00 -67.06 -74.90 -62.67 . . 0 "[ . 1 . 2]"
145 CHI21 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 1 42 ILE CD1 -90.00 -150.00 -171.32 -161.08 -163.65 . . 0 "[ . 1 . 2]"
146 CHI21 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 1 42 ILE CD1 30.00 -30.00 -171.32 -161.08 -163.65 . . 0 "[ . 1 . 2]"
147 CHI21 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 1 42 ILE CD1 150.00 90.00 -171.32 -161.08 -163.65 . . 0 "[ . 1 . 2]"
148 CHI1 1 43 VAL N 1 43 VAL CA 1 43 VAL CB 1 43 VAL CG1 -90.00 -150.00 -179.88 177.14 -177.63 . . 0 "[ . 1 . 2]"
149 CHI1 1 43 VAL N 1 43 VAL CA 1 43 VAL CB 1 43 VAL CG1 30.00 -30.00 -179.88 177.14 -177.63 . . 0 "[ . 1 . 2]"
150 CHI1 1 43 VAL N 1 43 VAL CA 1 43 VAL CB 1 43 VAL CG1 150.00 90.00 -179.88 177.14 -177.63 . . 0 "[ . 1 . 2]"
151 CHI1 1 45 SER N 1 45 SER CA 1 45 SER CB 1 45 SER OG -90.00 -150.00 -96.05 -87.05 -149.95 0.05 14 0 "[ . 1 . 2]"
152 CHI1 1 45 SER N 1 45 SER CA 1 45 SER CB 1 45 SER OG 30.00 -30.00 -96.05 -87.05 -149.95 . . 0 "[ . 1 . 2]"
153 CHI1 1 45 SER N 1 45 SER CA 1 45 SER CB 1 45 SER OG 150.00 90.00 -96.05 -87.05 -149.95 . . 0 "[ . 1 . 2]"
154 CHI1 1 46 ASP N 1 46 ASP CA 1 46 ASP CB 1 46 ASP CG -90.00 -150.00 50.19 53.22 47.25 . . 0 "[ . 1 . 2]"
155 CHI1 1 46 ASP N 1 46 ASP CA 1 46 ASP CB 1 46 ASP CG 30.00 -30.00 50.19 53.22 47.25 . . 0 "[ . 1 . 2]"
156 CHI1 1 46 ASP N 1 46 ASP CA 1 46 ASP CB 1 46 ASP CG 150.00 90.00 50.19 53.22 47.25 . . 0 "[ . 1 . 2]"
157 CHI1 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 -90.00 -150.00 -51.78 -60.91 -44.19 . . 0 "[ . 1 . 2]"
158 CHI1 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 30.00 -30.00 -51.78 -60.91 -44.19 . . 0 "[ . 1 . 2]"
159 CHI1 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 150.00 90.00 -51.78 -60.91 -44.19 . . 0 "[ . 1 . 2]"
160 CHI1 1 48 LEU N 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG -90.00 -150.00 -77.95 -77.41 -78.77 . . 0 "[ . 1 . 2]"
161 CHI1 1 48 LEU N 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG 30.00 -30.00 -77.95 -77.41 -78.77 . . 0 "[ . 1 . 2]"
162 CHI1 1 48 LEU N 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG 150.00 90.00 -77.95 -77.41 -78.77 . . 0 "[ . 1 . 2]"
163 CHI2 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG 1 48 LEU CD1 -90.00 -150.00 58.55 59.31 58.99 . . 0 "[ . 1 . 2]"
164 CHI2 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG 1 48 LEU CD1 30.00 -30.00 58.55 59.31 58.99 . . 0 "[ . 1 . 2]"
165 CHI2 1 48 LEU CA 1 48 LEU CB 1 48 LEU CG 1 48 LEU CD1 150.00 90.00 58.55 59.31 58.99 . . 0 "[ . 1 . 2]"
166 CHI1 1 49 THR N 1 49 THR CA 1 49 THR CB 1 49 THR OG1 -90.00 -150.00 -46.85 -55.52 -33.27 . . 0 "[ . 1 . 2]"
167 CHI1 1 49 THR N 1 49 THR CA 1 49 THR CB 1 49 THR OG1 30.00 -30.00 -46.85 -55.52 -33.27 . . 0 "[ . 1 . 2]"
168 CHI1 1 49 THR N 1 49 THR CA 1 49 THR CB 1 49 THR OG1 150.00 90.00 -46.85 -55.52 -33.27 . . 0 "[ . 1 . 2]"
169 CHI1 1 50 CYS N 1 50 CYS CA 1 50 CYS CB 1 50 CYS SG -90.00 -150.00 -164.75 -156.12 -160.16 . . 0 "[ . 1 . 2]"
170 CHI1 1 50 CYS N 1 50 CYS CA 1 50 CYS CB 1 50 CYS SG 30.00 -30.00 -164.75 -156.12 -160.16 . . 0 "[ . 1 . 2]"
171 CHI1 1 50 CYS N 1 50 CYS CA 1 50 CYS CB 1 50 CYS SG 150.00 90.00 -164.75 -156.12 -160.16 . . 0 "[ . 1 . 2]"
172 CHI1 1 51 GLN N 1 51 GLN CA 1 51 GLN CB 1 51 GLN CG -90.00 -150.00 -66.72 -87.26 -57.87 . . 0 "[ . 1 . 2]"
173 CHI1 1 51 GLN N 1 51 GLN CA 1 51 GLN CB 1 51 GLN CG 30.00 -30.00 -66.72 -87.26 -57.87 . . 0 "[ . 1 . 2]"
174 CHI1 1 51 GLN N 1 51 GLN CA 1 51 GLN CB 1 51 GLN CG 150.00 90.00 -66.72 -87.26 -57.87 . . 0 "[ . 1 . 2]"
175 CHI2 1 51 GLN CA 1 51 GLN CB 1 51 GLN CG 1 51 GLN CD -90.00 -150.00 -165.35 -155.45 -158.27 . . 0 "[ . 1 . 2]"
176 CHI2 1 51 GLN CA 1 51 GLN CB 1 51 GLN CG 1 51 GLN CD 30.00 -30.00 -165.35 -155.45 -158.27 . . 0 "[ . 1 . 2]"
177 CHI2 1 51 GLN CA 1 51 GLN CB 1 51 GLN CG 1 51 GLN CD 150.00 90.00 -165.35 -155.45 -158.27 . . 0 "[ . 1 . 2]"
178 CHI1 1 52 TRP N 1 52 TRP CA 1 52 TRP CB 1 52 TRP CG -90.00 -150.00 28.30 -79.44 86.00 . . 0 "[ . 1 . 2]"
179 CHI1 1 52 TRP N 1 52 TRP CA 1 52 TRP CB 1 52 TRP CG 30.00 -30.00 28.30 -79.44 86.00 . . 0 "[ . 1 . 2]"
180 CHI1 1 52 TRP N 1 52 TRP CA 1 52 TRP CB 1 52 TRP CG 150.00 90.00 28.30 -79.44 86.00 . . 0 "[ . 1 . 2]"
181 CHI1 1 53 ASP N 1 53 ASP CA 1 53 ASP CB 1 53 ASP CG -90.00 -150.00 -114.28 38.93 -59.96 . . 0 "[ . 1 . 2]"
182 CHI1 1 53 ASP N 1 53 ASP CA 1 53 ASP CB 1 53 ASP CG 30.00 -30.00 -114.28 38.93 -59.96 . . 0 "[ . 1 . 2]"
183 CHI1 1 53 ASP N 1 53 ASP CA 1 53 ASP CB 1 53 ASP CG 150.00 90.00 -114.28 38.93 -59.96 . . 0 "[ . 1 . 2]"
184 CHI1 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG -90.00 -150.00 -52.95 -52.55 -54.58 . . 0 "[ . 1 . 2]"
185 CHI1 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 30.00 -30.00 -52.95 -52.55 -54.58 . . 0 "[ . 1 . 2]"
186 CHI1 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 150.00 90.00 -52.95 -52.55 -54.58 . . 0 "[ . 1 . 2]"
187 CHI2 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD1 -90.00 -150.00 178.61 169.66 -171.56 . . 0 "[ . 1 . 2]"
188 CHI2 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD1 30.00 -30.00 178.61 169.66 -171.56 . . 0 "[ . 1 . 2]"
189 CHI2 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD1 150.00 90.00 178.61 169.66 -171.56 . . 0 "[ . 1 . 2]"
190 CHI1 1 55 SER N 1 55 SER CA 1 55 SER CB 1 55 SER OG -90.00 -150.00 -110.65 65.26 -44.49 . . 0 "[ . 1 . 2]"
191 CHI1 1 55 SER N 1 55 SER CA 1 55 SER CB 1 55 SER OG 30.00 -30.00 -110.65 65.26 -44.49 . . 0 "[ . 1 . 2]"
192 CHI1 1 55 SER N 1 55 SER CA 1 55 SER CB 1 55 SER OG 150.00 90.00 -110.65 65.26 -44.49 . . 0 "[ . 1 . 2]"
193 CHI1 1 56 TRP N 1 56 TRP CA 1 56 TRP CB 1 56 TRP CG -90.00 -150.00 -63.71 -75.12 -55.27 . . 0 "[ . 1 . 2]"
194 CHI1 1 56 TRP N 1 56 TRP CA 1 56 TRP CB 1 56 TRP CG 30.00 -30.00 -63.71 -75.12 -55.27 . . 0 "[ . 1 . 2]"
195 CHI1 1 56 TRP N 1 56 TRP CA 1 56 TRP CB 1 56 TRP CG 150.00 90.00 -63.71 -75.12 -55.27 . . 0 "[ . 1 . 2]"
196 CHI1 1 57 SER N 1 57 SER CA 1 57 SER CB 1 57 SER OG -90.00 -150.00 -165.57 176.75 172.11 . . 0 "[ . 1 . 2]"
197 CHI1 1 57 SER N 1 57 SER CA 1 57 SER CB 1 57 SER OG 30.00 -30.00 -165.57 176.75 172.11 . . 0 "[ . 1 . 2]"
198 CHI1 1 57 SER N 1 57 SER CA 1 57 SER CB 1 57 SER OG 150.00 90.00 -165.57 176.75 172.11 . . 0 "[ . 1 . 2]"
199 CHI1 1 58 SER N 1 58 SER CA 1 58 SER CB 1 58 SER OG -90.00 -150.00 -105.50 -172.23 64.68 . . 0 "[ . 1 . 2]"
200 CHI1 1 58 SER N 1 58 SER CA 1 58 SER CB 1 58 SER OG 30.00 -30.00 -105.50 -172.23 64.68 . . 0 "[ . 1 . 2]"
201 CHI1 1 58 SER N 1 58 SER CA 1 58 SER CB 1 58 SER OG 150.00 90.00 -105.50 -172.23 64.68 . . 0 "[ . 1 . 2]"
202 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG -90.00 -150.00 -2.09 -83.76 -85.37 . . 0 "[ . 1 . 2]"
203 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG 30.00 -30.00 -2.09 -83.76 -85.37 . . 0 "[ . 1 . 2]"
204 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG 150.00 90.00 -2.09 -83.76 -85.37 . . 0 "[ . 1 . 2]"
205 CHI1 1 62 PHE N 1 62 PHE CA 1 62 PHE CB 1 62 PHE CG -90.00 -150.00 40.13 34.33 46.32 . . 0 "[ . 1 . 2]"
206 CHI1 1 62 PHE N 1 62 PHE CA 1 62 PHE CB 1 62 PHE CG 30.00 -30.00 40.13 34.33 46.32 . . 0 "[ . 1 . 2]"
207 CHI1 1 62 PHE N 1 62 PHE CA 1 62 PHE CB 1 62 PHE CG 150.00 90.00 40.13 34.33 46.32 . . 0 "[ . 1 . 2]"
208 CHI1 1 63 CYS N 1 63 CYS CA 1 63 CYS CB 1 63 CYS SG -90.00 -150.00 -41.45 -40.44 -42.19 . . 0 "[ . 1 . 2]"
209 CHI1 1 63 CYS N 1 63 CYS CA 1 63 CYS CB 1 63 CYS SG 30.00 -30.00 -41.45 -40.44 -42.19 . . 0 "[ . 1 . 2]"
210 CHI1 1 63 CYS N 1 63 CYS CA 1 63 CYS CB 1 63 CYS SG 150.00 90.00 -41.45 -40.44 -42.19 . . 0 "[ . 1 . 2]"
211 CHI1 1 64 GLU N 1 64 GLU CA 1 64 GLU CB 1 64 GLU CG -90.00 -150.00 -165.10 170.89 -87.67 . . 0 "[ . 1 . 2]"
212 CHI1 1 64 GLU N 1 64 GLU CA 1 64 GLU CB 1 64 GLU CG 30.00 -30.00 -165.10 170.89 -87.67 . . 0 "[ . 1 . 2]"
213 CHI1 1 64 GLU N 1 64 GLU CA 1 64 GLU CB 1 64 GLU CG 150.00 90.00 -165.10 170.89 -87.67 . . 0 "[ . 1 . 2]"
214 CHI2 1 64 GLU CA 1 64 GLU CB 1 64 GLU CG 1 64 GLU CD -90.00 -150.00 96.86 53.11 -57.95 . . 0 "[ . 1 . 2]"
215 CHI2 1 64 GLU CA 1 64 GLU CB 1 64 GLU CG 1 64 GLU CD 30.00 -30.00 96.86 53.11 -57.95 . . 0 "[ . 1 . 2]"
216 CHI2 1 64 GLU CA 1 64 GLU CB 1 64 GLU CG 1 64 GLU CD 150.00 90.00 96.86 53.11 -57.95 . . 0 "[ . 1 . 2]"
217 CHI1 1 65 LYS N 1 65 LYS CA 1 65 LYS CB 1 65 LYS CG -90.00 -150.00 -166.22 172.12 -149.12 0.88 18 0 "[ . 1 . 2]"
218 CHI1 1 65 LYS N 1 65 LYS CA 1 65 LYS CB 1 65 LYS CG 30.00 -30.00 -166.22 172.12 -149.12 . . 0 "[ . 1 . 2]"
219 CHI1 1 65 LYS N 1 65 LYS CA 1 65 LYS CB 1 65 LYS CG 150.00 90.00 -166.22 172.12 -149.12 . . 0 "[ . 1 . 2]"
220 CHI2 1 65 LYS CA 1 65 LYS CB 1 65 LYS CG 1 65 LYS CD -90.00 -150.00 176.28 89.68 -84.03 1.01 18 0 "[ . 1 . 2]"
221 CHI2 1 65 LYS CA 1 65 LYS CB 1 65 LYS CG 1 65 LYS CD 30.00 -30.00 176.28 89.68 -84.03 . . 0 "[ . 1 . 2]"
222 CHI2 1 65 LYS CA 1 65 LYS CB 1 65 LYS CG 1 65 LYS CD 150.00 90.00 176.28 89.68 -84.03 0.00 20 0 "[ . 1 . 2]"
223 CHI3 1 65 LYS CB 1 65 LYS CG 1 65 LYS CD 1 65 LYS CE -90.00 -150.00 164.27 77.99 -77.08 0.09 18 0 "[ . 1 . 2]"
224 CHI3 1 65 LYS CB 1 65 LYS CG 1 65 LYS CD 1 65 LYS CE 30.00 -30.00 164.27 77.99 -77.08 . . 0 "[ . 1 . 2]"
225 CHI3 1 65 LYS CB 1 65 LYS CG 1 65 LYS CD 1 65 LYS CE 150.00 90.00 164.27 77.99 -77.08 . . 0 "[ . 1 . 2]"
226 CHI4 1 65 LYS CG 1 65 LYS CD 1 65 LYS CE 1 65 LYS NZ -90.00 -150.00 -152.96 -85.35 -155.37 . . 0 "[ . 1 . 2]"
227 CHI4 1 65 LYS CG 1 65 LYS CD 1 65 LYS CE 1 65 LYS NZ 30.00 -30.00 -152.96 -85.35 -155.37 . . 0 "[ . 1 . 2]"
228 CHI4 1 65 LYS CG 1 65 LYS CD 1 65 LYS CE 1 65 LYS NZ 150.00 90.00 -152.96 -85.35 -155.37 . . 0 "[ . 1 . 2]"
229 CHI1 1 66 THR N 1 66 THR CA 1 66 THR CB 1 66 THR OG1 -90.00 -150.00 5.64 -42.71 -46.74 . . 0 "[ . 1 . 2]"
230 CHI1 1 66 THR N 1 66 THR CA 1 66 THR CB 1 66 THR OG1 30.00 -30.00 5.64 -42.71 -46.74 . . 0 "[ . 1 . 2]"
231 CHI1 1 66 THR N 1 66 THR CA 1 66 THR CB 1 66 THR OG1 150.00 90.00 5.64 -42.71 -46.74 . . 0 "[ . 1 . 2]"
232 CHI1 1 67 GLU N 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG -90.00 -150.00 -79.10 58.85 -56.66 . . 0 "[ . 1 . 2]"
233 CHI1 1 67 GLU N 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG 30.00 -30.00 -79.10 58.85 -56.66 . . 0 "[ . 1 . 2]"
234 CHI1 1 67 GLU N 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG 150.00 90.00 -79.10 58.85 -56.66 . . 0 "[ . 1 . 2]"
235 CHI2 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG 1 67 GLU CD -90.00 -150.00 170.26 48.69 -71.62 . . 0 "[ . 1 . 2]"
236 CHI2 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG 1 67 GLU CD 30.00 -30.00 170.26 48.69 -71.62 . . 0 "[ . 1 . 2]"
237 CHI2 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG 1 67 GLU CD 150.00 90.00 170.26 48.69 -71.62 . . 0 "[ . 1 . 2]"
238 CHI1 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG -90.00 -150.00 -169.66 172.47 72.44 . . 0 "[ . 1 . 2]"
239 CHI1 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 30.00 -30.00 -169.66 172.47 72.44 . . 0 "[ . 1 . 2]"
240 CHI1 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 150.00 90.00 -169.66 172.47 72.44 . . 0 "[ . 1 . 2]"
241 CHI2 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 1 68 GLU CD -90.00 -150.00 -179.37 154.24 89.20 . . 0 "[ . 1 . 2]"
242 CHI2 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 1 68 GLU CD 30.00 -30.00 -179.37 154.24 89.20 . . 0 "[ . 1 . 2]"
243 CHI2 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 1 68 GLU CD 150.00 90.00 -179.37 154.24 89.20 . . 0 "[ . 1 . 2]"
244 CHI1 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG -90.00 -150.00 -132.58 -173.17 78.68 . . 0 "[ . 1 . 2]"
245 CHI1 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG 30.00 -30.00 -132.58 -173.17 78.68 . . 0 "[ . 1 . 2]"
246 CHI1 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG 150.00 90.00 -132.58 -173.17 78.68 . . 0 "[ . 1 . 2]"
247 CHI1 1 72 SER N 1 72 SER CA 1 72 SER CB 1 72 SER OG -90.00 -150.00 178.07 177.19 73.78 . . 0 "[ . 1 . 2]"
248 CHI1 1 72 SER N 1 72 SER CA 1 72 SER CB 1 72 SER OG 30.00 -30.00 178.07 177.19 73.78 . . 0 "[ . 1 . 2]"
249 CHI1 1 72 SER N 1 72 SER CA 1 72 SER CB 1 72 SER OG 150.00 90.00 178.07 177.19 73.78 . . 0 "[ . 1 . 2]"
250 CHI1 1 73 SER N 1 73 SER CA 1 73 SER CB 1 73 SER OG -90.00 -150.00 -169.30 166.09 74.40 . . 0 "[ . 1 . 2]"
251 CHI1 1 73 SER N 1 73 SER CA 1 73 SER CB 1 73 SER OG 30.00 -30.00 -169.30 166.09 74.40 . . 0 "[ . 1 . 2]"
252 CHI1 1 73 SER N 1 73 SER CA 1 73 SER CB 1 73 SER OG 150.00 90.00 -169.30 166.09 74.40 . . 0 "[ . 1 . 2]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 62
_TA_constraint_stats_list.Viol_count 23
_TA_constraint_stats_list.Viol_total 28.21
_TA_constraint_stats_list.Viol_max 0.16
_TA_constraint_stats_list.Viol_rms 0.01
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.06
_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 CHI1 1 18 TRP N 1 18 TRP CA 1 18 TRP CB 1 18 TRP CG 30.00 90.00 64.17 68.99 60.49 . . 0 "[ . 1 . 2]"
2 CHI1 1 50 CYS N 1 50 CYS CA 1 50 CYS CB 1 50 CYS SG 150.00 -150.00 -164.75 -156.12 -160.16 . . 0 "[ . 1 . 2]"
3 PHI 1 10 ASP C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -119.40 -59.40 -95.59 -119.02 -69.42 . . 0 "[ . 1 . 2]"
4 PSI 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 PRO N 99.30 159.30 148.24 144.28 144.10 . . 0 "[ . 1 . 2]"
5 PHI 1 13 GLU C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -160.70 -100.70 -102.64 -109.06 -100.54 0.16 20 0 "[ . 1 . 2]"
6 PSI 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 GLN N 114.80 174.80 147.55 145.76 144.37 . . 0 "[ . 1 . 2]"
7 PHI 1 17 GLY C 1 18 TRP N 1 18 TRP CA 1 18 TRP C -159.50 -99.50 -153.76 -158.34 -145.93 . . 0 "[ . 1 . 2]"
8 PSI 1 18 TRP N 1 18 TRP CA 1 18 TRP C 1 19 LYS N 124.20 -175.80 163.71 168.56 166.11 . . 0 "[ . 1 . 2]"
9 PHI 1 18 TRP C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -145.90 -85.90 -118.82 -144.54 -91.54 . . 0 "[ . 1 . 2]"
10 PSI 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 THR N 113.20 173.20 162.25 156.20 153.38 . . 0 "[ . 1 . 2]"
11 PHI 1 26 LEU C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -144.50 -84.50 -110.96 -113.24 -120.62 . . 0 "[ . 1 . 2]"
12 PSI 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 ARG N 134.50 -165.50 169.47 174.06 172.09 . . 0 "[ . 1 . 2]"
13 PHI 1 28 ARG C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 63.20 123.20 97.05 82.38 112.61 . . 0 "[ . 1 . 2]"
14 PSI 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 ALA N -42.70 17.30 -26.25 -39.99 10.41 . . 0 "[ . 1 . 2]"
15 PHI 1 30 ALA C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -165.40 -105.40 -123.69 -135.46 -111.23 . . 0 "[ . 1 . 2]"
16 PSI 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 ILE N 116.30 176.30 141.38 140.87 136.65 . . 0 "[ . 1 . 2]"
17 PHI 1 31 ARG C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -152.20 -92.20 -114.01 -143.12 -99.87 . . 0 "[ . 1 . 2]"
18 PSI 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 THR N 95.80 155.80 141.05 129.95 150.33 . . 0 "[ . 1 . 2]"
19 PHI 1 32 ILE C 1 33 THR N 1 33 THR CA 1 33 THR C -141.10 -81.10 -109.67 -113.52 -118.31 . . 0 "[ . 1 . 2]"
20 PSI 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 TYR N 94.50 154.50 129.62 113.56 154.27 . . 0 "[ . 1 . 2]"
21 PHI 1 33 THR C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -156.80 -96.80 -105.06 -99.67 -101.66 0.06 10 0 "[ . 1 . 2]"
22 PSI 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 GLN N 116.50 176.50 125.90 126.01 124.24 . . 0 "[ . 1 . 2]"
23 PHI 1 34 TYR C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -158.20 -98.20 -123.25 -146.91 -110.28 . . 0 "[ . 1 . 2]"
24 PSI 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 CYS N 121.50 -178.50 132.22 135.12 132.48 . . 0 "[ . 1 . 2]"
25 PHI 1 35 GLN C 1 36 CYS N 1 36 CYS CA 1 36 CYS C -158.20 -98.20 -113.10 -124.36 -103.86 . . 0 "[ . 1 . 2]"
26 PSI 1 36 CYS N 1 36 CYS CA 1 36 CYS C 1 37 ASP N 114.40 174.40 173.30 171.10 174.51 0.11 15 0 "[ . 1 . 2]"
27 PHI 1 36 CYS C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -120.50 -60.50 -60.93 -60.66 -60.75 0.15 15 0 "[ . 1 . 2]"
28 PSI 1 37 ASP N 1 37 ASP CA 1 37 ASP C 1 38 PRO N 110.00 170.00 158.39 153.08 161.51 . . 0 "[ . 1 . 2]"
29 PHI 1 39 GLY C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -132.80 -72.80 -100.26 -116.99 -86.50 . . 0 "[ . 1 . 2]"
30 PSI 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 ASP N 119.30 179.30 174.61 176.31 174.39 0.16 15 0 "[ . 1 . 2]"
31 PHI 1 40 TYR C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -157.20 -97.20 -133.89 -143.75 -125.72 . . 0 "[ . 1 . 2]"
32 PSI 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 ILE N 109.60 169.60 153.66 157.79 156.86 . . 0 "[ . 1 . 2]"
33 PHI 1 41 ASP C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -129.80 -69.80 -93.38 -104.44 -74.54 . . 0 "[ . 1 . 2]"
34 PSI 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 VAL N 102.50 162.50 138.95 133.70 150.42 . . 0 "[ . 1 . 2]"
35 PHI 1 42 ILE C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -128.80 -68.80 -114.09 -128.49 -103.06 . . 0 "[ . 1 . 2]"
36 PSI 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 GLY N 104.90 164.90 108.16 113.66 111.51 . . 0 "[ . 1 . 2]"
37 PHI 1 46 ASP C 1 47 THR N 1 47 THR CA 1 47 THR C -135.80 -75.80 -102.22 -96.89 -101.27 . . 0 "[ . 1 . 2]"
38 PSI 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 LEU N 101.20 161.20 132.31 139.39 136.12 . . 0 "[ . 1 . 2]"
39 PHI 1 47 THR C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -153.40 -93.40 -120.75 -133.50 -103.30 . . 0 "[ . 1 . 2]"
40 PSI 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 THR N 106.30 166.30 122.41 108.84 148.68 . . 0 "[ . 1 . 2]"
41 PHI 1 48 LEU C 1 49 THR N 1 49 THR CA 1 49 THR C -144.80 -84.80 -108.53 -101.32 -105.83 . . 0 "[ . 1 . 2]"
42 PSI 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 CYS N 100.90 160.90 153.34 144.59 160.79 . . 0 "[ . 1 . 2]"
43 PHI 1 49 THR C 1 50 CYS N 1 50 CYS CA 1 50 CYS C -152.50 -92.50 -94.53 -98.05 -92.44 0.06 3 0 "[ . 1 . 2]"
44 PSI 1 50 CYS N 1 50 CYS CA 1 50 CYS C 1 51 GLN N 105.80 165.80 118.62 107.08 140.18 . . 0 "[ . 1 . 2]"
45 PHI 1 51 GLN C 1 52 TRP N 1 52 TRP CA 1 52 TRP C -90.40 -30.40 -66.06 -71.42 -72.44 . . 0 "[ . 1 . 2]"
46 PSI 1 52 TRP N 1 52 TRP CA 1 52 TRP C 1 53 ASP N -53.50 6.40 -15.64 -26.80 -3.55 . . 0 "[ . 1 . 2]"
47 PHI 1 52 TRP C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -117.60 -57.60 -95.88 -89.67 -91.92 . . 0 "[ . 1 . 2]"
48 PSI 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 LEU N -27.40 32.60 21.24 15.77 12.94 . . 0 "[ . 1 . 2]"
49 PHI 1 53 ASP C 1 54 LEU N 1 54 LEU CA 1 54 LEU C 31.20 91.20 52.14 45.38 61.78 . . 0 "[ . 1 . 2]"
50 PSI 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 SER N 2.50 62.50 32.68 31.31 29.55 . . 0 "[ . 1 . 2]"
51 PHI 1 55 SER C 1 56 TRP N 1 56 TRP CA 1 56 TRP C -112.50 -52.50 -74.32 -96.05 -58.09 . . 0 "[ . 1 . 2]"
52 PSI 1 56 TRP N 1 56 TRP CA 1 56 TRP C 1 57 SER N 129.00 -171.00 138.70 133.07 147.11 . . 0 "[ . 1 . 2]"
53 PHI 1 56 TRP C 1 57 SER N 1 57 SER CA 1 57 SER C -93.30 -33.30 -37.75 -48.54 -34.47 . . 0 "[ . 1 . 2]"
54 PSI 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 SER N -50.50 9.50 -45.90 -50.56 -39.48 0.06 16 0 "[ . 1 . 2]"
55 PHI 1 61 PRO C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -170.80 -110.80 -154.91 -161.90 -142.95 . . 0 "[ . 1 . 2]"
56 PSI 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 CYS N 125.30 -174.70 169.10 164.20 173.95 . . 0 "[ . 1 . 2]"
57 PHI 1 62 PHE C 1 63 CYS N 1 63 CYS CA 1 63 CYS C -161.70 -101.70 -102.63 -101.76 -101.94 0.07 12 0 "[ . 1 . 2]"
58 PSI 1 63 CYS N 1 63 CYS CA 1 63 CYS C 1 64 GLU N 113.10 173.10 128.91 113.49 145.80 . . 0 "[ . 1 . 2]"
59 PHI 1 63 CYS C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -155.60 -95.60 -134.42 -148.02 -117.68 . . 0 "[ . 1 . 2]"
60 PSI 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 LYS N 96.40 156.40 134.16 112.79 151.00 . . 0 "[ . 1 . 2]"
61 PHI 1 64 GLU C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -102.50 -42.50 -64.04 -59.81 -65.36 . . 0 "[ . 1 . 2]"
62 PSI 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 THR N 105.30 165.30 129.87 110.53 145.56 . . 0 "[ . 1 . 2]"
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