NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508043 |
2eod   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2eod
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 237
_TA_constraint_stats_list.Viol_count 79
_TA_constraint_stats_list.Viol_total 1598.44
_TA_constraint_stats_list.Viol_max 5.55
_TA_constraint_stats_list.Viol_rms 0.20
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 1.01
_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 -63.92 52.21 -53.88 . . 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 -63.92 52.21 -53.88 . . 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 -63.92 52.21 -53.88 . . 0 "[ . 1 . 2]"
4 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG -90.00 -150.00 132.76 52.78 -67.08 . . 0 "[ . 1 . 2]"
5 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 30.00 -30.00 132.76 52.78 -67.08 . . 0 "[ . 1 . 2]"
6 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 150.00 90.00 132.76 52.78 -67.08 . . 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 -113.63 -88.58 -150.06 . . 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 -113.63 -88.58 -150.06 . . 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 -113.63 -88.58 -150.06 . . 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 -134.43 56.61 -53.10 . . 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 -134.43 56.61 -53.10 . . 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 -134.43 56.61 -53.10 . . 0 "[ . 1 . 2]"
13 CHI1 1 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG -90.00 -150.00 -69.35 -89.94 -55.27 . . 0 "[ . 1 . 2]"
14 CHI1 1 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 30.00 -30.00 -69.35 -89.94 -55.27 . . 0 "[ . 1 . 2]"
15 CHI1 1 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 150.00 90.00 -69.35 -89.94 -55.27 . . 0 "[ . 1 . 2]"
16 CHI2 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD -90.00 -150.00 175.68 86.08 -70.10 . . 0 "[ . 1 . 2]"
17 CHI2 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 30.00 -30.00 175.68 86.08 -70.10 . . 0 "[ . 1 . 2]"
18 CHI2 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 150.00 90.00 175.68 86.08 -70.10 . . 0 "[ . 1 . 2]"
19 CHI3 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE -90.00 -150.00 157.83 150.72 89.83 . . 0 "[ . 1 . 2]"
20 CHI3 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 30.00 -30.00 157.83 150.72 89.83 . . 0 "[ . 1 . 2]"
21 CHI3 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 150.00 90.00 157.83 150.72 89.83 . . 0 "[ . 1 . 2]"
22 CHI4 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 1 8 LYS NZ -90.00 -150.00 121.71 158.21 90.02 . . 0 "[ . 1 . 2]"
23 CHI4 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 1 8 LYS NZ 30.00 -30.00 121.71 158.21 90.02 . . 0 "[ . 1 . 2]"
24 CHI4 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 1 8 LYS NZ 150.00 90.00 121.71 158.21 90.02 0.02 11 0 "[ . 1 . 2]"
25 CHI1 1 9 ARG N 1 9 ARG CA 1 9 ARG CB 1 9 ARG CG -90.00 -150.00 -113.34 57.54 -56.35 0.21 9 0 "[ . 1 . 2]"
26 CHI1 1 9 ARG N 1 9 ARG CA 1 9 ARG CB 1 9 ARG CG 30.00 -30.00 -113.34 57.54 -56.35 . . 0 "[ . 1 . 2]"
27 CHI1 1 9 ARG N 1 9 ARG CA 1 9 ARG CB 1 9 ARG CG 150.00 90.00 -113.34 57.54 -56.35 . . 0 "[ . 1 . 2]"
28 CHI2 1 9 ARG CA 1 9 ARG CB 1 9 ARG CG 1 9 ARG CD -90.00 -150.00 164.01 90.20 70.26 . . 0 "[ . 1 . 2]"
29 CHI2 1 9 ARG CA 1 9 ARG CB 1 9 ARG CG 1 9 ARG CD 30.00 -30.00 164.01 90.20 70.26 . . 0 "[ . 1 . 2]"
30 CHI2 1 9 ARG CA 1 9 ARG CB 1 9 ARG CG 1 9 ARG CD 150.00 90.00 164.01 90.20 70.26 0.88 2 0 "[ . 1 . 2]"
31 CHI3 1 9 ARG CB 1 9 ARG CG 1 9 ARG CD 1 9 ARG NE -90.00 -150.00 131.29 60.63 -68.21 0.07 16 0 "[ . 1 . 2]"
32 CHI3 1 9 ARG CB 1 9 ARG CG 1 9 ARG CD 1 9 ARG NE 30.00 -30.00 131.29 60.63 -68.21 . . 0 "[ . 1 . 2]"
33 CHI3 1 9 ARG CB 1 9 ARG CG 1 9 ARG CD 1 9 ARG NE 150.00 90.00 131.29 60.63 -68.21 . . 0 "[ . 1 . 2]"
34 CHI1 1 10 THR N 1 10 THR CA 1 10 THR CB 1 10 THR OG1 -90.00 -150.00 51.78 43.29 59.49 . . 0 "[ . 1 . 2]"
35 CHI1 1 10 THR N 1 10 THR CA 1 10 THR CB 1 10 THR OG1 30.00 -30.00 51.78 43.29 59.49 . . 0 "[ . 1 . 2]"
36 CHI1 1 10 THR N 1 10 THR CA 1 10 THR CB 1 10 THR OG1 150.00 90.00 51.78 43.29 59.49 . . 0 "[ . 1 . 2]"
37 CHI1 1 11 GLN N 1 11 GLN CA 1 11 GLN CB 1 11 GLN CG -90.00 -150.00 -87.32 -90.14 -152.52 0.14 6 0 "[ . 1 . 2]"
38 CHI1 1 11 GLN N 1 11 GLN CA 1 11 GLN CB 1 11 GLN CG 30.00 -30.00 -87.32 -90.14 -152.52 . . 0 "[ . 1 . 2]"
39 CHI1 1 11 GLN N 1 11 GLN CA 1 11 GLN CB 1 11 GLN CG 150.00 90.00 -87.32 -90.14 -152.52 . . 0 "[ . 1 . 2]"
40 CHI2 1 11 GLN CA 1 11 GLN CB 1 11 GLN CG 1 11 GLN CD -90.00 -150.00 -94.22 76.06 -44.88 0.12 2 0 "[ . 1 . 2]"
41 CHI2 1 11 GLN CA 1 11 GLN CB 1 11 GLN CG 1 11 GLN CD 30.00 -30.00 -94.22 76.06 -44.88 . . 0 "[ . 1 . 2]"
42 CHI2 1 11 GLN CA 1 11 GLN CB 1 11 GLN CG 1 11 GLN CD 150.00 90.00 -94.22 76.06 -44.88 0.05 6 0 "[ . 1 . 2]"
43 CHI1 1 13 CYS N 1 13 CYS CA 1 13 CYS CB 1 13 CYS SG -90.00 -150.00 -170.94 -179.83 -157.65 . . 0 "[ . 1 . 2]"
44 CHI1 1 13 CYS N 1 13 CYS CA 1 13 CYS CB 1 13 CYS SG 30.00 -30.00 -170.94 -179.83 -157.65 . . 0 "[ . 1 . 2]"
45 CHI1 1 13 CYS N 1 13 CYS CA 1 13 CYS CB 1 13 CYS SG 150.00 90.00 -170.94 -179.83 -157.65 . . 0 "[ . 1 . 2]"
46 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 -90.00 -150.00 -61.03 -56.33 -57.14 . . 0 "[ . 1 . 2]"
47 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 30.00 -30.00 -61.03 -56.33 -57.14 . . 0 "[ . 1 . 2]"
48 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 150.00 90.00 -61.03 -56.33 -57.14 . . 0 "[ . 1 . 2]"
49 CHI1 1 15 TYR N 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG -90.00 -150.00 -71.04 -85.39 -40.82 . . 0 "[ . 1 . 2]"
50 CHI1 1 15 TYR N 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG 30.00 -30.00 -71.04 -85.39 -40.82 . . 0 "[ . 1 . 2]"
51 CHI1 1 15 TYR N 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG 150.00 90.00 -71.04 -85.39 -40.82 . . 0 "[ . 1 . 2]"
52 CHI1 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG -90.00 -150.00 57.97 58.78 57.70 . . 0 "[ . 1 . 2]"
53 CHI1 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG 30.00 -30.00 57.97 58.78 57.70 . . 0 "[ . 1 . 2]"
54 CHI1 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG 150.00 90.00 57.97 58.78 57.70 . . 0 "[ . 1 . 2]"
55 CHI1 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 -90.00 -150.00 60.88 64.91 64.72 . . 0 "[ . 1 . 2]"
56 CHI1 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 30.00 -30.00 60.88 64.91 64.72 . . 0 "[ . 1 . 2]"
57 CHI1 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 150.00 90.00 60.88 64.91 64.72 . . 0 "[ . 1 . 2]"
58 CHI1 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG -90.00 -150.00 -72.95 -69.59 -72.29 . . 0 "[ . 1 . 2]"
59 CHI1 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG 30.00 -30.00 -72.95 -69.59 -72.29 . . 0 "[ . 1 . 2]"
60 CHI1 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG 150.00 90.00 -72.95 -69.59 -72.29 . . 0 "[ . 1 . 2]"
61 CHI2 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG 1 18 LYS CD -90.00 -150.00 -145.33 179.73 -88.70 3.01 10 0 "[ . 1 . 2]"
62 CHI2 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG 1 18 LYS CD 30.00 -30.00 -145.33 179.73 -88.70 . . 0 "[ . 1 . 2]"
63 CHI2 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG 1 18 LYS CD 150.00 90.00 -145.33 179.73 -88.70 . . 0 "[ . 1 . 2]"
64 CHI3 1 18 LYS CB 1 18 LYS CG 1 18 LYS CD 1 18 LYS CE -90.00 -150.00 148.14 -88.66 -171.91 . . 0 "[ . 1 . 2]"
65 CHI3 1 18 LYS CB 1 18 LYS CG 1 18 LYS CD 1 18 LYS CE 30.00 -30.00 148.14 -88.66 -171.91 . . 0 "[ . 1 . 2]"
66 CHI3 1 18 LYS CB 1 18 LYS CG 1 18 LYS CD 1 18 LYS CE 150.00 90.00 148.14 -88.66 -171.91 2.34 10 0 "[ . 1 . 2]"
67 CHI4 1 18 LYS CG 1 18 LYS CD 1 18 LYS CE 1 18 LYS NZ -90.00 -150.00 165.53 60.39 -67.68 . . 0 "[ . 1 . 2]"
68 CHI4 1 18 LYS CG 1 18 LYS CD 1 18 LYS CE 1 18 LYS NZ 30.00 -30.00 165.53 60.39 -67.68 . . 0 "[ . 1 . 2]"
69 CHI4 1 18 LYS CG 1 18 LYS CD 1 18 LYS CE 1 18 LYS NZ 150.00 90.00 165.53 60.39 -67.68 0.01 3 0 "[ . 1 . 2]"
70 CHI1 1 19 GLU N 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG -90.00 -150.00 -57.17 -63.50 -50.93 . . 0 "[ . 1 . 2]"
71 CHI1 1 19 GLU N 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG 30.00 -30.00 -57.17 -63.50 -50.93 . . 0 "[ . 1 . 2]"
72 CHI1 1 19 GLU N 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG 150.00 90.00 -57.17 -63.50 -50.93 . . 0 "[ . 1 . 2]"
73 CHI2 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG 1 19 GLU CD -90.00 -150.00 -142.43 -158.13 -161.97 2.37 19 0 "[ . 1 . 2]"
74 CHI2 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG 1 19 GLU CD 30.00 -30.00 -142.43 -158.13 -161.97 . . 0 "[ . 1 . 2]"
75 CHI2 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG 1 19 GLU CD 150.00 90.00 -142.43 -158.13 -161.97 . . 0 "[ . 1 . 2]"
76 CHI1 1 20 PHE N 1 20 PHE CA 1 20 PHE CB 1 20 PHE CG -90.00 -150.00 -70.58 -77.89 -80.53 . . 0 "[ . 1 . 2]"
77 CHI1 1 20 PHE N 1 20 PHE CA 1 20 PHE CB 1 20 PHE CG 30.00 -30.00 -70.58 -77.89 -80.53 . . 0 "[ . 1 . 2]"
78 CHI1 1 20 PHE N 1 20 PHE CA 1 20 PHE CB 1 20 PHE CG 150.00 90.00 -70.58 -77.89 -80.53 . . 0 "[ . 1 . 2]"
79 CHI1 1 21 VAL N 1 21 VAL CA 1 21 VAL CB 1 21 VAL CG1 -90.00 -150.00 170.42 60.87 -67.87 . . 0 "[ . 1 . 2]"
80 CHI1 1 21 VAL N 1 21 VAL CA 1 21 VAL CB 1 21 VAL CG1 30.00 -30.00 170.42 60.87 -67.87 . . 0 "[ . 1 . 2]"
81 CHI1 1 21 VAL N 1 21 VAL CA 1 21 VAL CB 1 21 VAL CG1 150.00 90.00 170.42 60.87 -67.87 . . 0 "[ . 1 . 2]"
82 CHI1 1 22 PHE N 1 22 PHE CA 1 22 PHE CB 1 22 PHE CG -90.00 -150.00 92.31 90.05 95.55 . . 0 "[ . 1 . 2]"
83 CHI1 1 22 PHE N 1 22 PHE CA 1 22 PHE CB 1 22 PHE CG 30.00 -30.00 92.31 90.05 95.55 . . 0 "[ . 1 . 2]"
84 CHI1 1 22 PHE N 1 22 PHE CA 1 22 PHE CB 1 22 PHE CG 150.00 90.00 92.31 90.05 95.55 5.55 19 1 "[ . 1 . +2]"
85 CHI1 1 23 ASP N 1 23 ASP CA 1 23 ASP CB 1 23 ASP CG -90.00 -150.00 -172.21 -160.10 -169.26 . . 0 "[ . 1 . 2]"
86 CHI1 1 23 ASP N 1 23 ASP CA 1 23 ASP CB 1 23 ASP CG 30.00 -30.00 -172.21 -160.10 -169.26 . . 0 "[ . 1 . 2]"
87 CHI1 1 23 ASP N 1 23 ASP CA 1 23 ASP CB 1 23 ASP CG 150.00 90.00 -172.21 -160.10 -169.26 . . 0 "[ . 1 . 2]"
88 CHI1 1 24 THR N 1 24 THR CA 1 24 THR CB 1 24 THR OG1 -90.00 -150.00 64.50 56.15 71.26 . . 0 "[ . 1 . 2]"
89 CHI1 1 24 THR N 1 24 THR CA 1 24 THR CB 1 24 THR OG1 30.00 -30.00 64.50 56.15 71.26 . . 0 "[ . 1 . 2]"
90 CHI1 1 24 THR N 1 24 THR CA 1 24 THR CB 1 24 THR OG1 150.00 90.00 64.50 56.15 71.26 . . 0 "[ . 1 . 2]"
91 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 -90.00 -150.00 -160.95 -173.96 -153.66 . . 0 "[ . 1 . 2]"
92 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 30.00 -30.00 -160.95 -173.96 -153.66 . . 0 "[ . 1 . 2]"
93 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 150.00 90.00 -160.95 -173.96 -153.66 . . 0 "[ . 1 . 2]"
94 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 -90.00 -150.00 83.29 68.46 91.60 . . 0 "[ . 1 . 2]"
95 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 30.00 -30.00 83.29 68.46 91.60 . . 0 "[ . 1 . 2]"
96 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 150.00 90.00 83.29 68.46 91.60 1.60 16 0 "[ . 1 . 2]"
97 CHI1 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG -90.00 -150.00 -71.64 -69.89 -70.79 0.49 17 0 "[ . 1 . 2]"
98 CHI1 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 30.00 -30.00 -71.64 -69.89 -70.79 . . 0 "[ . 1 . 2]"
99 CHI1 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 150.00 90.00 -71.64 -69.89 -70.79 . . 0 "[ . 1 . 2]"
100 CHI2 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 1 26 GLN CD -90.00 -150.00 -104.00 89.16 -53.54 0.09 18 0 "[ . 1 . 2]"
101 CHI2 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 1 26 GLN CD 30.00 -30.00 -104.00 89.16 -53.54 . . 0 "[ . 1 . 2]"
102 CHI2 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 1 26 GLN CD 150.00 90.00 -104.00 89.16 -53.54 . . 0 "[ . 1 . 2]"
103 CHI1 1 27 SER N 1 27 SER CA 1 27 SER CB 1 27 SER OG -90.00 -150.00 -143.59 -153.48 63.26 0.43 18 0 "[ . 1 . 2]"
104 CHI1 1 27 SER N 1 27 SER CA 1 27 SER CB 1 27 SER OG 30.00 -30.00 -143.59 -153.48 63.26 . . 0 "[ . 1 . 2]"
105 CHI1 1 27 SER N 1 27 SER CA 1 27 SER CB 1 27 SER OG 150.00 90.00 -143.59 -153.48 63.26 . . 0 "[ . 1 . 2]"
106 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG -90.00 -150.00 155.38 159.68 155.99 . . 0 "[ . 1 . 2]"
107 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 30.00 -30.00 155.38 159.68 155.99 . . 0 "[ . 1 . 2]"
108 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 150.00 90.00 155.38 159.68 155.99 . . 0 "[ . 1 . 2]"
109 CHI1 1 29 GLN N 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG -90.00 -150.00 -83.18 -90.05 -74.69 0.05 20 0 "[ . 1 . 2]"
110 CHI1 1 29 GLN N 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG 30.00 -30.00 -83.18 -90.05 -74.69 . . 0 "[ . 1 . 2]"
111 CHI1 1 29 GLN N 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG 150.00 90.00 -83.18 -90.05 -74.69 . . 0 "[ . 1 . 2]"
112 CHI2 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG 1 29 GLN CD -90.00 -150.00 -164.94 157.55 -80.99 . . 0 "[ . 1 . 2]"
113 CHI2 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG 1 29 GLN CD 30.00 -30.00 -164.94 157.55 -80.99 . . 0 "[ . 1 . 2]"
114 CHI2 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG 1 29 GLN CD 150.00 90.00 -164.94 157.55 -80.99 . . 0 "[ . 1 . 2]"
115 CHI1 1 30 TYR N 1 30 TYR CA 1 30 TYR CB 1 30 TYR CG -90.00 -150.00 -82.43 -88.94 -89.44 0.03 19 0 "[ . 1 . 2]"
116 CHI1 1 30 TYR N 1 30 TYR CA 1 30 TYR CB 1 30 TYR CG 30.00 -30.00 -82.43 -88.94 -89.44 . . 0 "[ . 1 . 2]"
117 CHI1 1 30 TYR N 1 30 TYR CA 1 30 TYR CB 1 30 TYR CG 150.00 90.00 -82.43 -88.94 -89.44 . . 0 "[ . 1 . 2]"
118 CHI1 1 31 GLN N 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG -90.00 -150.00 -65.62 -66.46 -69.90 . . 0 "[ . 1 . 2]"
119 CHI1 1 31 GLN N 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG 30.00 -30.00 -65.62 -66.46 -69.90 . . 0 "[ . 1 . 2]"
120 CHI1 1 31 GLN N 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG 150.00 90.00 -65.62 -66.46 -69.90 . . 0 "[ . 1 . 2]"
121 CHI2 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG 1 31 GLN CD -90.00 -150.00 -120.98 154.39 -48.91 . . 0 "[ . 1 . 2]"
122 CHI2 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG 1 31 GLN CD 30.00 -30.00 -120.98 154.39 -48.91 . . 0 "[ . 1 . 2]"
123 CHI2 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG 1 31 GLN CD 150.00 90.00 -120.98 154.39 -48.91 . . 0 "[ . 1 . 2]"
124 CHI1 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG -90.00 -150.00 -157.32 -154.93 -158.12 0.04 7 0 "[ . 1 . 2]"
125 CHI1 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG 30.00 -30.00 -157.32 -154.93 -158.12 . . 0 "[ . 1 . 2]"
126 CHI1 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG 150.00 90.00 -157.32 -154.93 -158.12 . . 0 "[ . 1 . 2]"
127 CHI1 1 34 ARG N 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG -90.00 -150.00 -76.40 -89.79 -57.72 . . 0 "[ . 1 . 2]"
128 CHI1 1 34 ARG N 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 30.00 -30.00 -76.40 -89.79 -57.72 . . 0 "[ . 1 . 2]"
129 CHI1 1 34 ARG N 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 150.00 90.00 -76.40 -89.79 -57.72 . . 0 "[ . 1 . 2]"
130 CHI2 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 1 34 ARG CD -90.00 -150.00 -73.46 -69.15 -69.30 0.07 6 0 "[ . 1 . 2]"
131 CHI2 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 1 34 ARG CD 30.00 -30.00 -73.46 -69.15 -69.30 . . 0 "[ . 1 . 2]"
132 CHI2 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 1 34 ARG CD 150.00 90.00 -73.46 -69.15 -69.30 . . 0 "[ . 1 . 2]"
133 CHI3 1 34 ARG CB 1 34 ARG CG 1 34 ARG CD 1 34 ARG NE -90.00 -150.00 -128.69 -89.57 -149.79 0.21 9 0 "[ . 1 . 2]"
134 CHI3 1 34 ARG CB 1 34 ARG CG 1 34 ARG CD 1 34 ARG NE 30.00 -30.00 -128.69 -89.57 -149.79 . . 0 "[ . 1 . 2]"
135 CHI3 1 34 ARG CB 1 34 ARG CG 1 34 ARG CD 1 34 ARG NE 150.00 90.00 -128.69 -89.57 -149.79 . . 0 "[ . 1 . 2]"
136 CHI1 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG -90.00 -150.00 -177.37 -172.63 -174.64 . . 0 "[ . 1 . 2]"
137 CHI1 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 30.00 -30.00 -177.37 -172.63 -174.64 . . 0 "[ . 1 . 2]"
138 CHI1 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 150.00 90.00 -177.37 -172.63 -174.64 . . 0 "[ . 1 . 2]"
139 CHI2 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD1 -90.00 -150.00 87.23 78.05 91.94 . . 0 "[ . 1 . 2]"
140 CHI2 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD1 30.00 -30.00 87.23 78.05 91.94 . . 0 "[ . 1 . 2]"
141 CHI2 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD1 150.00 90.00 87.23 78.05 91.94 1.94 14 0 "[ . 1 . 2]"
142 CHI1 1 37 VAL N 1 37 VAL CA 1 37 VAL CB 1 37 VAL CG1 -90.00 -150.00 -62.47 -70.04 -54.33 . . 0 "[ . 1 . 2]"
143 CHI1 1 37 VAL N 1 37 VAL CA 1 37 VAL CB 1 37 VAL CG1 30.00 -30.00 -62.47 -70.04 -54.33 . . 0 "[ . 1 . 2]"
144 CHI1 1 37 VAL N 1 37 VAL CA 1 37 VAL CB 1 37 VAL CG1 150.00 90.00 -62.47 -70.04 -54.33 . . 0 "[ . 1 . 2]"
145 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG -90.00 -150.00 -178.09 170.56 -167.43 . . 0 "[ . 1 . 2]"
146 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 30.00 -30.00 -178.09 170.56 -167.43 . . 0 "[ . 1 . 2]"
147 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 150.00 90.00 -178.09 170.56 -167.43 . . 0 "[ . 1 . 2]"
148 CHI1 1 41 ASN N 1 41 ASN CA 1 41 ASN CB 1 41 ASN CG -90.00 -150.00 -76.91 -89.04 -57.93 . . 0 "[ . 1 . 2]"
149 CHI1 1 41 ASN N 1 41 ASN CA 1 41 ASN CB 1 41 ASN CG 30.00 -30.00 -76.91 -89.04 -57.93 . . 0 "[ . 1 . 2]"
150 CHI1 1 41 ASN N 1 41 ASN CA 1 41 ASN CB 1 41 ASN CG 150.00 90.00 -76.91 -89.04 -57.93 . . 0 "[ . 1 . 2]"
151 CHI1 1 42 GLN N 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG -90.00 -150.00 -74.43 -89.78 -56.59 . . 0 "[ . 1 . 2]"
152 CHI1 1 42 GLN N 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 30.00 -30.00 -74.43 -89.78 -56.59 . . 0 "[ . 1 . 2]"
153 CHI1 1 42 GLN N 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 150.00 90.00 -74.43 -89.78 -56.59 . . 0 "[ . 1 . 2]"
154 CHI2 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 1 42 GLN CD -90.00 -150.00 -138.41 81.49 -62.71 0.06 3 0 "[ . 1 . 2]"
155 CHI2 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 1 42 GLN CD 30.00 -30.00 -138.41 81.49 -62.71 . . 0 "[ . 1 . 2]"
156 CHI2 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 1 42 GLN CD 150.00 90.00 -138.41 81.49 -62.71 . . 0 "[ . 1 . 2]"
157 CHI1 1 43 CYS N 1 43 CYS CA 1 43 CYS CB 1 43 CYS SG -90.00 -150.00 50.04 50.00 49.37 . . 0 "[ . 1 . 2]"
158 CHI1 1 43 CYS N 1 43 CYS CA 1 43 CYS CB 1 43 CYS SG 30.00 -30.00 50.04 50.00 49.37 . . 0 "[ . 1 . 2]"
159 CHI1 1 43 CYS N 1 43 CYS CA 1 43 CYS CB 1 43 CYS SG 150.00 90.00 50.04 50.00 49.37 . . 0 "[ . 1 . 2]"
160 CHI1 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 -90.00 -150.00 57.91 56.13 55.87 . . 0 "[ . 1 . 2]"
161 CHI1 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 30.00 -30.00 57.91 56.13 55.87 . . 0 "[ . 1 . 2]"
162 CHI1 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 150.00 90.00 57.91 56.13 55.87 . . 0 "[ . 1 . 2]"
163 CHI1 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 -90.00 -150.00 51.56 60.96 57.06 . . 0 "[ . 1 . 2]"
164 CHI1 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 30.00 -30.00 51.56 60.96 57.06 . . 0 "[ . 1 . 2]"
165 CHI1 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 150.00 90.00 51.56 60.96 57.06 . . 0 "[ . 1 . 2]"
166 CHI1 1 48 VAL N 1 48 VAL CA 1 48 VAL CB 1 48 VAL CG1 -90.00 -150.00 64.67 68.90 66.90 . . 0 "[ . 1 . 2]"
167 CHI1 1 48 VAL N 1 48 VAL CA 1 48 VAL CB 1 48 VAL CG1 30.00 -30.00 64.67 68.90 66.90 . . 0 "[ . 1 . 2]"
168 CHI1 1 48 VAL N 1 48 VAL CA 1 48 VAL CB 1 48 VAL CG1 150.00 90.00 64.67 68.90 66.90 . . 0 "[ . 1 . 2]"
169 CHI1 1 50 ARG N 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG -90.00 -150.00 177.35 167.80 -178.95 . . 0 "[ . 1 . 2]"
170 CHI1 1 50 ARG N 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG 30.00 -30.00 177.35 167.80 -178.95 . . 0 "[ . 1 . 2]"
171 CHI1 1 50 ARG N 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG 150.00 90.00 177.35 167.80 -178.95 . . 0 "[ . 1 . 2]"
172 CHI2 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG 1 50 ARG CD -90.00 -150.00 -166.56 90.13 -83.60 0.74 10 0 "[ . 1 . 2]"
173 CHI2 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG 1 50 ARG CD 30.00 -30.00 -166.56 90.13 -83.60 . . 0 "[ . 1 . 2]"
174 CHI2 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG 1 50 ARG CD 150.00 90.00 -166.56 90.13 -83.60 2.36 9 0 "[ . 1 . 2]"
175 CHI3 1 50 ARG CB 1 50 ARG CG 1 50 ARG CD 1 50 ARG NE -90.00 -150.00 -169.49 70.41 -63.62 . . 0 "[ . 1 . 2]"
176 CHI3 1 50 ARG CB 1 50 ARG CG 1 50 ARG CD 1 50 ARG NE 30.00 -30.00 -169.49 70.41 -63.62 . . 0 "[ . 1 . 2]"
177 CHI3 1 50 ARG CB 1 50 ARG CG 1 50 ARG CD 1 50 ARG NE 150.00 90.00 -169.49 70.41 -63.62 . . 0 "[ . 1 . 2]"
178 CHI1 1 51 GLU N 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG -90.00 -150.00 66.92 56.66 76.17 . . 0 "[ . 1 . 2]"
179 CHI1 1 51 GLU N 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG 30.00 -30.00 66.92 56.66 76.17 . . 0 "[ . 1 . 2]"
180 CHI1 1 51 GLU N 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG 150.00 90.00 66.92 56.66 76.17 . . 0 "[ . 1 . 2]"
181 CHI2 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG 1 51 GLU CD -90.00 -150.00 162.97 -173.76 179.23 1.54 6 0 "[ . 1 . 2]"
182 CHI2 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG 1 51 GLU CD 30.00 -30.00 162.97 -173.76 179.23 . . 0 "[ . 1 . 2]"
183 CHI2 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG 1 51 GLU CD 150.00 90.00 162.97 -173.76 179.23 . . 0 "[ . 1 . 2]"
184 CHI1 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG -90.00 -150.00 -82.23 -84.37 -85.17 . . 0 "[ . 1 . 2]"
185 CHI1 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG 30.00 -30.00 -82.23 -84.37 -85.17 . . 0 "[ . 1 . 2]"
186 CHI1 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG 150.00 90.00 -82.23 -84.37 -85.17 . . 0 "[ . 1 . 2]"
187 CHI1 1 53 LEU N 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG -90.00 -150.00 -154.98 -149.53 -149.56 0.56 20 0 "[ . 1 . 2]"
188 CHI1 1 53 LEU N 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG 30.00 -30.00 -154.98 -149.53 -149.56 . . 0 "[ . 1 . 2]"
189 CHI1 1 53 LEU N 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG 150.00 90.00 -154.98 -149.53 -149.56 . . 0 "[ . 1 . 2]"
190 CHI2 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG 1 53 LEU CD1 -90.00 -150.00 64.55 65.41 64.33 . . 0 "[ . 1 . 2]"
191 CHI2 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG 1 53 LEU CD1 30.00 -30.00 64.55 65.41 64.33 . . 0 "[ . 1 . 2]"
192 CHI2 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG 1 53 LEU CD1 150.00 90.00 64.55 65.41 64.33 . . 0 "[ . 1 . 2]"
193 CHI1 1 56 HIS N 1 56 HIS CA 1 56 HIS CB 1 56 HIS CG -90.00 -150.00 156.51 159.68 157.13 . . 0 "[ . 1 . 2]"
194 CHI1 1 56 HIS N 1 56 HIS CA 1 56 HIS CB 1 56 HIS CG 30.00 -30.00 156.51 159.68 157.13 . . 0 "[ . 1 . 2]"
195 CHI1 1 56 HIS N 1 56 HIS CA 1 56 HIS CB 1 56 HIS CG 150.00 90.00 156.51 159.68 157.13 . . 0 "[ . 1 . 2]"
196 CHI1 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG -90.00 -150.00 -75.02 -80.81 -68.65 . . 0 "[ . 1 . 2]"
197 CHI1 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 30.00 -30.00 -75.02 -80.81 -68.65 . . 0 "[ . 1 . 2]"
198 CHI1 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 150.00 90.00 -75.02 -80.81 -68.65 . . 0 "[ . 1 . 2]"
199 CHI2 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 1 57 LEU CD1 -90.00 -150.00 164.99 151.31 175.12 . . 0 "[ . 1 . 2]"
200 CHI2 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 1 57 LEU CD1 30.00 -30.00 164.99 151.31 175.12 . . 0 "[ . 1 . 2]"
201 CHI2 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 1 57 LEU CD1 150.00 90.00 164.99 151.31 175.12 . . 0 "[ . 1 . 2]"
202 CHI1 1 58 LYS N 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG -90.00 -150.00 -137.35 -149.92 -157.10 0.24 20 0 "[ . 1 . 2]"
203 CHI1 1 58 LYS N 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG 30.00 -30.00 -137.35 -149.92 -157.10 . . 0 "[ . 1 . 2]"
204 CHI1 1 58 LYS N 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG 150.00 90.00 -137.35 -149.92 -157.10 . . 0 "[ . 1 . 2]"
205 CHI2 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG 1 58 LYS CD -90.00 -150.00 -154.69 -165.33 -172.46 . . 0 "[ . 1 . 2]"
206 CHI2 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG 1 58 LYS CD 30.00 -30.00 -154.69 -165.33 -172.46 . . 0 "[ . 1 . 2]"
207 CHI2 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG 1 58 LYS CD 150.00 90.00 -154.69 -165.33 -172.46 . . 0 "[ . 1 . 2]"
208 CHI3 1 58 LYS CB 1 58 LYS CG 1 58 LYS CD 1 58 LYS CE -90.00 -150.00 159.20 68.86 -74.47 . . 0 "[ . 1 . 2]"
209 CHI3 1 58 LYS CB 1 58 LYS CG 1 58 LYS CD 1 58 LYS CE 30.00 -30.00 159.20 68.86 -74.47 . . 0 "[ . 1 . 2]"
210 CHI3 1 58 LYS CB 1 58 LYS CG 1 58 LYS CD 1 58 LYS CE 150.00 90.00 159.20 68.86 -74.47 . . 0 "[ . 1 . 2]"
211 CHI4 1 58 LYS CG 1 58 LYS CD 1 58 LYS CE 1 58 LYS NZ -90.00 -150.00 -161.37 177.80 171.91 . . 0 "[ . 1 . 2]"
212 CHI4 1 58 LYS CG 1 58 LYS CD 1 58 LYS CE 1 58 LYS NZ 30.00 -30.00 -161.37 177.80 171.91 . . 0 "[ . 1 . 2]"
213 CHI4 1 58 LYS CG 1 58 LYS CD 1 58 LYS CE 1 58 LYS NZ 150.00 90.00 -161.37 177.80 171.91 . . 0 "[ . 1 . 2]"
214 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG -90.00 -150.00 -168.58 174.92 70.28 . . 0 "[ . 1 . 2]"
215 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG 30.00 -30.00 -168.58 174.92 70.28 . . 0 "[ . 1 . 2]"
216 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG 150.00 90.00 -168.58 174.92 70.28 . . 0 "[ . 1 . 2]"
217 CHI1 1 60 SER N 1 60 SER CA 1 60 SER CB 1 60 SER OG -90.00 -150.00 -115.59 -162.60 -52.71 . . 0 "[ . 1 . 2]"
218 CHI1 1 60 SER N 1 60 SER CA 1 60 SER CB 1 60 SER OG 30.00 -30.00 -115.59 -162.60 -52.71 . . 0 "[ . 1 . 2]"
219 CHI1 1 60 SER N 1 60 SER CA 1 60 SER CB 1 60 SER OG 150.00 90.00 -115.59 -162.60 -52.71 . . 0 "[ . 1 . 2]"
220 CHI1 1 61 CYS N 1 61 CYS CA 1 61 CYS CB 1 61 CYS SG -90.00 -150.00 -156.63 170.86 -149.93 0.07 17 0 "[ . 1 . 2]"
221 CHI1 1 61 CYS N 1 61 CYS CA 1 61 CYS CB 1 61 CYS SG 30.00 -30.00 -156.63 170.86 -149.93 . . 0 "[ . 1 . 2]"
222 CHI1 1 61 CYS N 1 61 CYS CA 1 61 CYS CB 1 61 CYS SG 150.00 90.00 -156.63 170.86 -149.93 . . 0 "[ . 1 . 2]"
223 CHI1 1 62 ASN N 1 62 ASN CA 1 62 ASN CB 1 62 ASN CG -90.00 -150.00 -138.44 -161.18 -170.36 . . 0 "[ . 1 . 2]"
224 CHI1 1 62 ASN N 1 62 ASN CA 1 62 ASN CB 1 62 ASN CG 30.00 -30.00 -138.44 -161.18 -170.36 . . 0 "[ . 1 . 2]"
225 CHI1 1 62 ASN N 1 62 ASN CA 1 62 ASN CB 1 62 ASN CG 150.00 90.00 -138.44 -161.18 -170.36 . . 0 "[ . 1 . 2]"
226 CHI1 1 63 THR N 1 63 THR CA 1 63 THR CB 1 63 THR OG1 -90.00 -150.00 141.00 -60.80 -171.98 . . 0 "[ . 1 . 2]"
227 CHI1 1 63 THR N 1 63 THR CA 1 63 THR CB 1 63 THR OG1 30.00 -30.00 141.00 -60.80 -171.98 . . 0 "[ . 1 . 2]"
228 CHI1 1 63 THR N 1 63 THR CA 1 63 THR CB 1 63 THR OG1 150.00 90.00 141.00 -60.80 -171.98 . . 0 "[ . 1 . 2]"
229 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG -90.00 -150.00 -122.39 68.71 -66.48 0.73 5 0 "[ . 1 . 2]"
230 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 30.00 -30.00 -122.39 68.71 -66.48 . . 0 "[ . 1 . 2]"
231 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 150.00 90.00 -122.39 68.71 -66.48 . . 0 "[ . 1 . 2]"
232 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 -90.00 -150.00 148.19 65.91 -57.06 . . 0 "[ . 1 . 2]"
233 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 30.00 -30.00 148.19 65.91 -57.06 . . 0 "[ . 1 . 2]"
234 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 150.00 90.00 148.19 65.91 -57.06 . . 0 "[ . 1 . 2]"
235 CHI1 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 -90.00 -150.00 125.31 -60.48 -175.07 . . 0 "[ . 1 . 2]"
236 CHI1 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 30.00 -30.00 125.31 -60.48 -175.07 . . 0 "[ . 1 . 2]"
237 CHI1 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 150.00 90.00 125.31 -60.48 -175.07 . . 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 86
_TA_constraint_stats_list.Viol_count 38
_TA_constraint_stats_list.Viol_total 154.05
_TA_constraint_stats_list.Viol_max 0.69
_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 0.20
_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 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG -90.00 -30.00 -69.35 -89.94 -55.27 . . 0 "[ . 1 . 2]"
2 CHI1 1 10 THR N 1 10 THR CA 1 10 THR CB 1 10 THR OG1 30.00 90.00 51.78 43.29 59.49 . . 0 "[ . 1 . 2]"
3 CHI1 1 13 CYS N 1 13 CYS CA 1 13 CYS CB 1 13 CYS SG 150.00 -150.00 -170.94 -179.83 -157.65 . . 0 "[ . 1 . 2]"
4 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 -90.00 -30.00 -61.03 -56.33 -57.14 . . 0 "[ . 1 . 2]"
5 CHI1 1 15 TYR N 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG -90.00 -30.00 -71.04 -85.39 -40.82 . . 0 "[ . 1 . 2]"
6 CHI1 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG 30.00 90.00 57.97 58.78 57.70 . . 0 "[ . 1 . 2]"
7 CHI1 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 30.00 90.00 60.88 64.91 64.72 . . 0 "[ . 1 . 2]"
8 CHI1 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG -90.00 -30.00 -72.95 -69.59 -72.29 . . 0 "[ . 1 . 2]"
9 CHI1 1 19 GLU N 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG -90.00 -30.00 -57.17 -63.50 -50.93 . . 0 "[ . 1 . 2]"
10 CHI1 1 20 PHE N 1 20 PHE CA 1 20 PHE CB 1 20 PHE CG -90.00 -30.00 -70.58 -77.89 -80.53 . . 0 "[ . 1 . 2]"
11 CHI1 1 23 ASP N 1 23 ASP CA 1 23 ASP CB 1 23 ASP CG 150.00 -150.00 -172.21 -160.10 -169.26 . . 0 "[ . 1 . 2]"
12 CHI1 1 24 THR N 1 24 THR CA 1 24 THR CB 1 24 THR OG1 30.00 90.00 64.50 56.15 71.26 . . 0 "[ . 1 . 2]"
13 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 150.00 -150.00 -160.95 -173.96 -153.66 . . 0 "[ . 1 . 2]"
14 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 150.00 -150.00 155.38 159.68 155.99 . . 0 "[ . 1 . 2]"
15 CHI1 1 29 GLN N 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG -90.00 -30.00 -83.18 -90.05 -74.69 0.05 20 0 "[ . 1 . 2]"
16 CHI1 1 30 TYR N 1 30 TYR CA 1 30 TYR CB 1 30 TYR CG -90.00 -30.00 -82.43 -88.94 -89.44 0.03 19 0 "[ . 1 . 2]"
17 CHI1 1 31 GLN N 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG -90.00 -30.00 -65.62 -66.46 -69.90 . . 0 "[ . 1 . 2]"
18 CHI1 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG 150.00 -150.00 -157.32 -154.93 -158.12 0.04 7 0 "[ . 1 . 2]"
19 CHI1 1 34 ARG N 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG -90.00 -30.00 -76.40 -89.79 -57.72 . . 0 "[ . 1 . 2]"
20 CHI1 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 150.00 -150.00 -177.37 -172.63 -174.64 . . 0 "[ . 1 . 2]"
21 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 150.00 -150.00 -178.09 170.56 -167.43 . . 0 "[ . 1 . 2]"
22 CHI1 1 41 ASN N 1 41 ASN CA 1 41 ASN CB 1 41 ASN CG -90.00 -30.00 -76.91 -89.04 -57.93 . . 0 "[ . 1 . 2]"
23 CHI1 1 42 GLN N 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG -90.00 -30.00 -74.43 -89.78 -56.59 . . 0 "[ . 1 . 2]"
24 CHI1 1 43 CYS N 1 43 CYS CA 1 43 CYS CB 1 43 CYS SG 30.00 90.00 50.04 50.00 49.37 . . 0 "[ . 1 . 2]"
25 CHI1 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 30.00 90.00 51.56 60.96 57.06 . . 0 "[ . 1 . 2]"
26 CHI1 1 50 ARG N 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG 150.00 -150.00 177.35 167.80 -178.95 . . 0 "[ . 1 . 2]"
27 CHI1 1 51 GLU N 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG 30.00 90.00 66.92 56.66 76.17 . . 0 "[ . 1 . 2]"
28 CHI1 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG -90.00 -30.00 -82.23 -84.37 -85.17 . . 0 "[ . 1 . 2]"
29 CHI1 1 53 LEU N 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG 150.00 -150.00 -154.98 -149.53 -149.56 0.56 20 0 "[ . 1 . 2]"
30 CHI1 1 56 HIS N 1 56 HIS CA 1 56 HIS CB 1 56 HIS CG 150.00 -150.00 156.51 159.68 157.13 . . 0 "[ . 1 . 2]"
31 CHI1 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG -90.00 -30.00 -75.02 -80.81 -68.65 . . 0 "[ . 1 . 2]"
32 CHI1 1 61 CYS N 1 61 CYS CA 1 61 CYS CB 1 61 CYS SG 150.00 -150.00 -156.63 170.86 -149.93 0.07 17 0 "[ . 1 . 2]"
33 PHI 1 8 LYS C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -120.60 -60.60 -73.09 -65.01 -65.06 0.07 18 0 "[ . 1 . 2]"
34 PSI 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 THR N 111.70 171.70 157.07 168.94 166.06 0.08 19 0 "[ . 1 . 2]"
35 PHI 1 9 ARG C 1 10 THR N 1 10 THR CA 1 10 THR C -154.40 -94.40 -121.95 -141.68 -110.27 . . 0 "[ . 1 . 2]"
36 PSI 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 GLN N 122.80 -177.20 139.35 123.80 151.14 . . 0 "[ . 1 . 2]"
37 PHI 1 10 THR C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -166.90 -106.90 -112.43 -110.54 -112.59 . . 0 "[ . 1 . 2]"
38 PSI 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 PRO N 103.70 163.70 112.21 103.31 127.06 0.39 5 0 "[ . 1 . 2]"
39 PHI 1 12 PRO C 1 13 CYS N 1 13 CYS CA 1 13 CYS C -110.70 -50.70 -53.76 -55.23 -56.41 0.08 7 0 "[ . 1 . 2]"
40 PSI 1 13 CYS N 1 13 CYS CA 1 13 CYS C 1 14 THR N 103.50 163.50 137.88 140.70 138.44 . . 0 "[ . 1 . 2]"
41 PHI 1 13 CYS C 1 14 THR N 1 14 THR CA 1 14 THR C -89.90 -29.90 -84.78 -90.59 -72.17 0.69 20 0 "[ . 1 . 2]"
42 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 TYR N -55.50 4.60 -15.77 -41.08 4.20 . . 0 "[ . 1 . 2]"
43 PHI 1 19 GLU C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -138.60 -78.60 -133.86 -137.38 -137.82 0.12 9 0 "[ . 1 . 2]"
44 PSI 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 VAL N 120.10 -179.90 164.32 173.64 171.24 . . 0 "[ . 1 . 2]"
45 PHI 1 21 VAL C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -90.70 -30.70 -56.77 -77.16 -38.21 . . 0 "[ . 1 . 2]"
46 PSI 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ASP N -70.90 -10.90 -28.17 -25.78 -26.51 . . 0 "[ . 1 . 2]"
47 PHI 1 22 PHE C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -108.00 -48.00 -72.63 -69.00 -70.76 . . 0 "[ . 1 . 2]"
48 PSI 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 THR N -43.70 16.30 -32.28 -20.01 -22.78 0.31 3 0 "[ . 1 . 2]"
49 PHI 1 24 THR C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -93.30 -33.40 -37.32 -52.45 -33.15 0.25 10 0 "[ . 1 . 2]"
50 PSI 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 GLN N -64.20 -4.20 -31.47 -35.49 -38.03 . . 0 "[ . 1 . 2]"
51 PHI 1 25 ILE C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -97.70 -37.70 -61.01 -78.21 -45.40 . . 0 "[ . 1 . 2]"
52 PSI 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 SER N -65.90 -5.90 -52.97 -60.68 -42.19 . . 0 "[ . 1 . 2]"
53 PHI 1 26 GLN C 1 27 SER N 1 27 SER CA 1 27 SER C -89.20 -29.20 -79.62 -85.06 -86.06 . . 0 "[ . 1 . 2]"
54 PSI 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 HIS N -73.70 -13.70 -41.90 -44.50 -45.30 . . 0 "[ . 1 . 2]"
55 PHI 1 27 SER C 1 28 HIS N 1 28 HIS CA 1 28 HIS C -96.00 -36.00 -45.24 -45.02 -45.28 . . 0 "[ . 1 . 2]"
56 PSI 1 28 HIS N 1 28 HIS CA 1 28 HIS C 1 29 GLN N -73.70 -13.70 -49.07 -52.54 -45.71 . . 0 "[ . 1 . 2]"
57 PHI 1 28 HIS C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -91.30 -31.30 -34.59 -33.03 -33.73 . . 0 "[ . 1 . 2]"
58 PSI 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 TYR N -67.00 -7.00 -37.97 -45.20 -33.51 . . 0 "[ . 1 . 2]"
59 PHI 1 29 GLN C 1 30 TYR N 1 30 TYR CA 1 30 TYR C -97.00 -37.00 -73.81 -80.41 -62.51 . . 0 "[ . 1 . 2]"
60 PSI 1 30 TYR N 1 30 TYR CA 1 30 TYR C 1 31 GLN N -55.30 4.70 -46.47 -52.72 -39.76 . . 0 "[ . 1 . 2]"
61 PHI 1 36 PRO C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -160.40 -100.40 -132.17 -136.10 -137.31 . . 0 "[ . 1 . 2]"
62 PSI 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ALA N 123.60 -176.40 133.42 140.39 138.44 . . 0 "[ . 1 . 2]"
63 PHI 1 37 VAL C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -111.80 -51.80 -63.28 -67.29 -69.03 . . 0 "[ . 1 . 2]"
64 PSI 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 CYS N 110.10 170.10 135.37 127.87 143.68 . . 0 "[ . 1 . 2]"
65 PHI 1 38 ALA C 1 39 CYS N 1 39 CYS CA 1 39 CYS C -118.10 -58.10 -62.36 -63.72 -65.19 0.14 13 0 "[ . 1 . 2]"
66 PSI 1 39 CYS N 1 39 CYS CA 1 39 CYS C 1 40 PRO N 123.70 -176.30 134.13 136.69 135.59 . . 0 "[ . 1 . 2]"
67 PHI 1 46 GLY C 1 47 THR N 1 47 THR CA 1 47 THR C -155.00 -95.00 -127.17 -147.54 -112.67 . . 0 "[ . 1 . 2]"
68 PSI 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 VAL N 119.30 179.30 145.30 148.75 147.59 . . 0 "[ . 1 . 2]"
69 PHI 1 47 THR C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -158.00 -98.00 -154.98 -158.27 -132.45 0.27 9 0 "[ . 1 . 2]"
70 PSI 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ALA N 123.20 -176.80 134.10 133.76 132.43 . . 0 "[ . 1 . 2]"
71 PHI 1 49 ALA C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -90.80 -30.80 -58.20 -56.11 -58.24 . . 0 "[ . 1 . 2]"
72 PSI 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 GLU N -72.90 -12.90 -41.14 -54.74 -30.53 . . 0 "[ . 1 . 2]"
73 PHI 1 50 ARG C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -101.60 -41.60 -78.38 -78.93 -80.45 . . 0 "[ . 1 . 2]"
74 PSI 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ASP N -46.00 14.10 -1.70 6.10 3.22 . . 0 "[ . 1 . 2]"
75 PHI 1 51 GLU C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -125.00 -65.00 -107.81 -116.23 -91.37 . . 0 "[ . 1 . 2]"
76 PSI 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 LEU N -42.60 17.40 -13.92 -11.09 -12.54 . . 0 "[ . 1 . 2]"
77 PHI 1 52 ASP C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -80.30 -20.30 -62.00 -76.44 -48.27 . . 0 "[ . 1 . 2]"
78 PSI 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 PRO N -80.50 -20.50 -43.90 -44.48 -44.50 . . 0 "[ . 1 . 2]"
79 PHI 1 54 PRO C 1 55 GLY N 1 55 GLY CA 1 55 GLY C -94.60 -34.60 -59.17 -59.89 -60.78 . . 0 "[ . 1 . 2]"
80 PSI 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 HIS N -71.20 -11.20 -33.28 -47.79 -20.72 . . 0 "[ . 1 . 2]"
81 PHI 1 55 GLY C 1 56 HIS N 1 56 HIS CA 1 56 HIS C -93.40 -33.40 -65.19 -52.00 -53.59 . . 0 "[ . 1 . 2]"
82 PSI 1 56 HIS N 1 56 HIS CA 1 56 HIS C 1 57 LEU N -71.50 -11.50 -51.70 -61.24 -44.65 . . 0 "[ . 1 . 2]"
83 PHI 1 56 HIS C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -92.90 -32.90 -57.53 -67.56 -49.07 . . 0 "[ . 1 . 2]"
84 PSI 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 LYS N -67.10 -7.10 -21.84 -15.90 -17.34 . . 0 "[ . 1 . 2]"
85 PHI 1 57 LEU C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -101.70 -41.70 -61.44 -77.27 -48.95 . . 0 "[ . 1 . 2]"
86 PSI 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 ASP N -67.10 -7.10 -66.05 -65.67 -65.93 0.17 19 0 "[ . 1 . 2]"
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