NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587999 |
2my1   |
25439 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2my1
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 57
_TA_constraint_stats_list.Viol_count 231
_TA_constraint_stats_list.Viol_total 1967.55
_TA_constraint_stats_list.Viol_max 1.24
_TA_constraint_stats_list.Viol_rms 0.12
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.24
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 18 PHE N 1 18 PHE CA 1 18 PHE CB 1 18 PHE CG 150.00 -150.00 -174.70 -172.44 -173.19 . . 0 "[ . 1 . 2 . 3 .]"
2 . 1 19 GLU N 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG 150.00 -150.00 -165.68 -163.09 -163.75 . . 0 "[ . 1 . 2 . 3 .]"
3 . 1 20 LYS N 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG -90.00 -30.00 -75.03 -90.09 -64.04 0.09 30 0 "[ . 1 . 2 . 3 .]"
4 . 1 22 LYS N 1 22 LYS CA 1 22 LYS CB 1 22 LYS CG 150.00 -150.00 -166.85 -165.88 -167.05 . . 0 "[ . 1 . 2 . 3 .]"
5 . 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -90.00 -30.00 -80.39 -90.08 -65.34 0.08 32 0 "[ . 1 . 2 . 3 .]"
6 . 1 28 PHE N 1 28 PHE CA 1 28 PHE CB 1 28 PHE CG -90.00 -30.00 -88.55 -88.65 -88.88 0.73 30 0 "[ . 1 . 2 . 3 .]"
7 . 1 34 ASP N 1 34 ASP CA 1 34 ASP CB 1 34 ASP CG -90.00 -30.00 -82.46 -90.02 -64.26 0.02 31 0 "[ . 1 . 2 . 3 .]"
8 . 1 36 GLN N 1 36 GLN CA 1 36 GLN CB 1 36 GLN CG -90.00 -30.00 -81.59 -89.26 -62.35 . . 0 "[ . 1 . 2 . 3 .]"
9 . 1 37 LYS N 1 37 LYS CA 1 37 LYS CB 1 37 LYS CG -90.00 -30.00 -75.17 -89.21 -60.22 . . 0 "[ . 1 . 2 . 3 .]"
10 . 1 49 GLU N 1 49 GLU CA 1 49 GLU CB 1 49 GLU CG -90.00 -30.00 -64.22 -72.87 -58.33 . . 0 "[ . 1 . 2 . 3 .]"
11 . 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG -90.00 -30.00 -82.98 -90.20 -61.20 0.20 15 0 "[ . 1 . 2 . 3 .]"
12 . 1 52 TRP N 1 52 TRP CA 1 52 TRP CB 1 52 TRP CG -90.00 -30.00 -60.25 -64.68 -56.15 . . 0 "[ . 1 . 2 . 3 .]"
13 . 1 55 MET N 1 55 MET CA 1 55 MET CB 1 55 MET CG 30.00 90.00 59.15 57.57 57.39 . . 0 "[ . 1 . 2 . 3 .]"
14 . 1 56 GLN N 1 56 GLN CA 1 56 GLN CB 1 56 GLN CG -90.00 -30.00 -83.92 -90.19 -75.91 0.19 17 0 "[ . 1 . 2 . 3 .]"
15 . 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG -90.00 -30.00 -88.74 -90.00 -90.02 0.25 35 0 "[ . 1 . 2 . 3 .]"
16 . 1 58 HIS N 1 58 HIS CA 1 58 HIS CB 1 58 HIS CG 150.00 -150.00 -161.39 -177.25 -151.07 . . 0 "[ . 1 . 2 . 3 .]"
17 . 1 59 HIS N 1 59 HIS CA 1 59 HIS CB 1 59 HIS CG -90.00 -30.00 -89.83 -90.51 -80.19 0.51 16 0 "[ . 1 . 2 . 3 .]"
18 . 1 62 SER N 1 62 SER CA 1 62 SER CB 1 62 SER OG 30.00 90.00 63.35 41.75 88.52 . . 0 "[ . 1 . 2 . 3 .]"
19 . 1 63 ARG N 1 63 ARG CA 1 63 ARG CB 1 63 ARG CG 150.00 -150.00 -166.08 179.90 -151.36 . . 0 "[ . 1 . 2 . 3 .]"
20 . 1 64 TYR N 1 64 TYR CA 1 64 TYR CB 1 64 TYR CG 150.00 -150.00 178.96 178.85 178.65 . . 0 "[ . 1 . 2 . 3 .]"
21 . 1 66 TYR N 1 66 TYR CA 1 66 TYR CB 1 66 TYR CG 150.00 -150.00 -169.97 -172.22 -172.59 . . 0 "[ . 1 . 2 . 3 .]"
22 . 1 68 LEU N 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG 30.00 90.00 71.07 70.17 72.34 . . 0 "[ . 1 . 2 . 3 .]"
23 . 1 70 TYR N 1 70 TYR CA 1 70 TYR CB 1 70 TYR CG -90.00 -30.00 -86.70 -90.03 -77.66 0.03 14 0 "[ . 1 . 2 . 3 .]"
24 . 1 71 LYS N 1 71 LYS CA 1 71 LYS CB 1 71 LYS CG -90.00 -30.00 -60.19 -68.57 -50.90 . . 0 "[ . 1 . 2 . 3 .]"
25 . 1 78 ASP N 1 78 ASP CA 1 78 ASP CB 1 78 ASP CG -90.00 -30.00 -76.15 -86.77 -61.03 . . 0 "[ . 1 . 2 . 3 .]"
26 . 1 80 TYR N 1 80 TYR CA 1 80 TYR CB 1 80 TYR CG 150.00 -150.00 177.21 175.72 179.64 . . 0 "[ . 1 . 2 . 3 .]"
27 . 1 81 ASP N 1 81 ASP CA 1 81 ASP CB 1 81 ASP CG 150.00 -150.00 -169.08 -176.54 -160.78 . . 0 "[ . 1 . 2 . 3 .]"
28 . 1 82 TRP N 1 82 TRP CA 1 82 TRP CB 1 82 TRP CG 150.00 -150.00 -179.39 -179.38 -179.69 . . 0 "[ . 1 . 2 . 3 .]"
29 . 1 83 LEU N 1 83 LEU CA 1 83 LEU CB 1 83 LEU CG -90.00 -30.00 -63.89 -88.69 -59.69 . . 0 "[ . 1 . 2 . 3 .]"
30 . 1 86 GLU N 1 86 GLU CA 1 86 GLU CB 1 86 GLU CG -90.00 -30.00 -64.82 -64.28 -64.45 . . 0 "[ . 1 . 2 . 3 .]"
31 . 1 88 TYR N 1 88 TYR CA 1 88 TYR CB 1 88 TYR CG -90.00 -30.00 -77.51 -76.39 -76.53 . . 0 "[ . 1 . 2 . 3 .]"
32 . 1 90 ASP N 1 90 ASP CA 1 90 ASP CB 1 90 ASP CG 150.00 -150.00 -164.64 -177.09 -149.99 0.01 3 0 "[ . 1 . 2 . 3 .]"
33 . 1 91 LYS N 1 91 LYS CA 1 91 LYS CB 1 91 LYS CG -90.00 -30.00 -86.64 -85.24 -86.40 0.14 20 0 "[ . 1 . 2 . 3 .]"
34 . 1 93 LEU N 1 93 LEU CA 1 93 LEU CB 1 93 LEU CG 150.00 -150.00 -176.40 176.91 -151.92 . . 0 "[ . 1 . 2 . 3 .]"
35 . 1 96 LYS N 1 96 LYS CA 1 96 LYS CB 1 96 LYS CG -90.00 -30.00 -89.20 -90.43 -90.52 0.70 31 0 "[ . 1 . 2 . 3 .]"
36 . 1 97 TRP N 1 97 TRP CA 1 97 TRP CB 1 97 TRP CG -90.00 -30.00 -87.12 -85.98 -86.39 0.40 10 0 "[ . 1 . 2 . 3 .]"
37 . 1 98 ARG N 1 98 ARG CA 1 98 ARG CB 1 98 ARG CG -90.00 -30.00 -81.92 -76.84 -78.00 0.57 28 0 "[ . 1 . 2 . 3 .]"
38 . 1 99 LYS N 1 99 LYS CA 1 99 LYS CB 1 99 LYS CG -90.00 -30.00 -89.96 -90.38 -82.90 0.38 18 0 "[ . 1 . 2 . 3 .]"
39 . 1 102 TYR N 1 102 TYR CA 1 102 TYR CB 1 102 TYR CG -90.00 -30.00 -69.46 -73.11 -73.51 . . 0 "[ . 1 . 2 . 3 .]"
40 . 1 104 LYS N 1 104 LYS CA 1 104 LYS CB 1 104 LYS CG -90.00 -30.00 -75.67 -86.53 -61.60 . . 0 "[ . 1 . 2 . 3 .]"
41 . 1 106 CYS N 1 106 CYS CA 1 106 CYS CB 1 106 CYS SG 30.00 90.00 59.94 58.39 62.29 . . 0 "[ . 1 . 2 . 3 .]"
42 . 1 108 LEU N 1 108 LEU CA 1 108 LEU CB 1 108 LEU CG -90.00 -30.00 -84.06 -90.29 -62.01 0.29 28 0 "[ . 1 . 2 . 3 .]"
43 . 1 109 ARG N 1 109 ARG CA 1 109 ARG CB 1 109 ARG CG 150.00 -150.00 -161.77 -175.67 -150.55 . . 0 "[ . 1 . 2 . 3 .]"
44 . 1 110 CYS N 1 110 CYS CA 1 110 CYS CB 1 110 CYS SG 150.00 -150.00 -149.32 -149.60 -148.76 1.24 23 0 "[ . 1 . 2 . 3 .]"
45 . 1 120 SER N 1 120 SER CA 1 120 SER CB 1 120 SER OG -90.00 -30.00 -67.46 -77.45 -81.43 . . 0 "[ . 1 . 2 . 3 .]"
46 . 1 122 CYS N 1 122 CYS CA 1 122 CYS CB 1 122 CYS SG 150.00 -150.00 -173.72 -174.45 -174.56 . . 0 "[ . 1 . 2 . 3 .]"
47 . 1 124 CYS N 1 124 CYS CA 1 124 CYS CB 1 124 CYS SG 30.00 90.00 78.37 75.21 82.24 . . 0 "[ . 1 . 2 . 3 .]"
48 . 1 131 LEU N 1 131 LEU CA 1 131 LEU CB 1 131 LEU CG -90.00 -30.00 -83.48 -90.08 -66.86 0.08 2 0 "[ . 1 . 2 . 3 .]"
49 . 1 141 GLN N 1 141 GLN CA 1 141 GLN CB 1 141 GLN CG -90.00 -30.00 -83.11 -90.33 -62.77 0.33 22 0 "[ . 1 . 2 . 3 .]"
50 . 1 144 PHE N 1 144 PHE CA 1 144 PHE CB 1 144 PHE CG 150.00 -150.00 169.48 171.26 169.06 . . 0 "[ . 1 . 2 . 3 .]"
51 . 1 147 CYS N 1 147 CYS CA 1 147 CYS CB 1 147 CYS SG 30.00 90.00 66.25 64.95 67.40 . . 0 "[ . 1 . 2 . 3 .]"
52 . 1 149 HIS N 1 149 HIS CA 1 149 HIS CB 1 149 HIS CG -90.00 -30.00 -63.49 -64.64 -62.21 . . 0 "[ . 1 . 2 . 3 .]"
53 . 1 150 CYS N 1 150 CYS CA 1 150 CYS CB 1 150 CYS SG 30.00 90.00 66.75 67.64 67.40 . . 0 "[ . 1 . 2 . 3 .]"
54 . 1 152 CYS N 1 152 CYS CA 1 152 CYS CB 1 152 CYS SG 150.00 -150.00 172.11 173.02 172.86 . . 0 "[ . 1 . 2 . 3 .]"
55 . 1 155 CYS N 1 155 CYS CA 1 155 CYS CB 1 155 CYS SG 30.00 90.00 67.55 65.98 68.38 . . 0 "[ . 1 . 2 . 3 .]"
56 . 1 157 SER N 1 157 SER CA 1 157 SER CB 1 157 SER OG -90.00 -30.00 -31.68 -45.12 -29.81 0.19 32 0 "[ . 1 . 2 . 3 .]"
57 . 1 159 ASP N 1 159 ASP CA 1 159 ASP CB 1 159 ASP CG -90.00 -30.00 -82.31 -87.56 -89.39 0.12 26 0 "[ . 1 . 2 . 3 .]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 140
_TA_constraint_stats_list.Viol_count 171
_TA_constraint_stats_list.Viol_total 2491.61
_TA_constraint_stats_list.Viol_max 1.10
_TA_constraint_stats_list.Viol_rms 0.10
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.42
_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 17 GLY C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -80.10 -32.70 -55.23 -58.03 -52.01 . . 0 "[ . 1 . 2 . 3 .]"
2 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 GLU N -68.70 -4.30 -32.58 -33.28 -33.40 . . 0 "[ . 1 . 2 . 3 .]"
3 . 1 18 PHE C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -83.40 -38.60 -54.09 -55.21 -52.58 . . 0 "[ . 1 . 2 . 3 .]"
4 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 LYS N -59.30 -9.10 -37.45 -38.95 -33.81 . . 0 "[ . 1 . 2 . 3 .]"
5 . 1 19 GLU C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -90.10 -41.70 -58.55 -60.73 -57.12 . . 0 "[ . 1 . 2 . 3 .]"
6 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ILE N -53.20 1.00 -36.59 -39.77 -35.02 . . 0 "[ . 1 . 2 . 3 .]"
7 . 1 24 THR C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -81.10 -44.30 -64.08 -68.18 -60.09 . . 0 "[ . 1 . 2 . 3 .]"
8 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 THR N -59.00 -12.40 -39.29 -41.30 -35.42 . . 0 "[ . 1 . 2 . 3 .]"
9 . 1 25 LEU C 1 26 THR N 1 26 THR CA 1 26 THR C -90.90 -42.70 -57.92 -58.08 -58.23 . . 0 "[ . 1 . 2 . 3 .]"
10 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 ASP N -62.70 -18.10 -35.48 -37.51 -33.95 . . 0 "[ . 1 . 2 . 3 .]"
11 . 1 26 THR C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -78.80 -40.00 -57.08 -59.91 -55.57 . . 0 "[ . 1 . 2 . 3 .]"
12 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 PHE N -64.50 -30.10 -36.59 -38.82 -34.31 . . 0 "[ . 1 . 2 . 3 .]"
13 . 1 27 ASP C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -82.50 -43.70 -57.66 -59.34 -55.32 . . 0 "[ . 1 . 2 . 3 .]"
14 . 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 GLU N -62.30 -17.50 -39.21 -44.17 -35.76 . . 0 "[ . 1 . 2 . 3 .]"
15 . 1 28 PHE C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -83.10 -46.50 -59.34 -63.07 -56.45 . . 0 "[ . 1 . 2 . 3 .]"
16 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ILE N -59.40 -22.60 -31.90 -38.91 -39.36 0.12 3 0 "[ . 1 . 2 . 3 .]"
17 . 1 29 GLU C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -81.10 -44.30 -70.96 -81.26 -62.82 0.16 3 0 "[ . 1 . 2 . 3 .]"
18 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 GLN N -64.30 -23.70 -40.14 -40.31 -40.73 . . 0 "[ . 1 . 2 . 3 .]"
19 . 1 30 ILE C 1 31 GLN N 1 31 GLN CA 1 31 GLN C -83.10 -41.50 -72.96 -82.53 -64.23 . . 0 "[ . 1 . 2 . 3 .]"
20 . 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 LEU N -62.70 -19.70 -45.06 -49.59 -50.33 . . 0 "[ . 1 . 2 . 3 .]"
21 . 1 31 GLN C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -82.00 -41.40 -65.21 -76.64 -54.74 . . 0 "[ . 1 . 2 . 3 .]"
22 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 ARG N -67.50 -19.90 -34.13 -35.28 -35.29 . . 0 "[ . 1 . 2 . 3 .]"
23 . 1 32 LEU C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -87.40 -43.20 -61.97 -57.38 -57.62 . . 0 "[ . 1 . 2 . 3 .]"
24 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 ASP N -63.70 -10.10 -38.36 -44.90 -34.84 . . 0 "[ . 1 . 2 . 3 .]"
25 . 1 33 ARG C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -86.90 -42.90 -63.73 -62.61 -62.68 . . 0 "[ . 1 . 2 . 3 .]"
26 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 ALA N -65.40 -13.80 -46.11 -50.55 -51.09 . . 0 "[ . 1 . 2 . 3 .]"
27 . 1 34 ASP C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -89.80 -43.20 -69.04 -68.43 -68.62 . . 0 "[ . 1 . 2 . 3 .]"
28 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 GLN N -57.60 -4.60 -41.01 -43.35 -36.57 . . 0 "[ . 1 . 2 . 3 .]"
29 . 1 35 ALA C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -117.60 -50.80 -63.15 -72.20 -58.33 . . 0 "[ . 1 . 2 . 3 .]"
30 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 LYS N -50.30 5.10 -33.70 -38.79 -29.97 . . 0 "[ . 1 . 2 . 3 .]"
31 . 1 36 GLN C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -100.50 -45.70 -87.92 -98.02 -57.70 . . 0 "[ . 1 . 2 . 3 .]"
32 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 ASP N -62.90 -5.50 -34.67 -37.09 -38.03 . . 0 "[ . 1 . 2 . 3 .]"
33 . 1 37 LYS C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -93.80 -40.00 -57.23 -57.86 -58.04 . . 0 "[ . 1 . 2 . 3 .]"
34 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 LYS N -60.40 -11.40 -37.45 -38.74 -38.96 . . 0 "[ . 1 . 2 . 3 .]"
35 . 1 38 ASP C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -95.50 -39.70 -60.16 -55.79 -56.28 . . 0 "[ . 1 . 2 . 3 .]"
36 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 SER N -70.00 5.20 -40.74 -51.67 -33.70 . . 0 "[ . 1 . 2 . 3 .]"
37 . 1 47 SER C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -84.60 -36.00 -57.41 -56.41 -56.65 . . 0 "[ . 1 . 2 . 3 .]"
38 . 1 48 ASN N 1 48 ASN CA 1 48 ASN C 1 49 GLU N -58.30 -13.90 -39.42 -37.19 -37.88 . . 0 "[ . 1 . 2 . 3 .]"
39 . 1 48 ASN C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -81.90 -40.70 -61.42 -59.05 -59.55 . . 0 "[ . 1 . 2 . 3 .]"
40 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 GLN N -60.60 -19.40 -40.07 -45.64 -34.67 . . 0 "[ . 1 . 2 . 3 .]"
41 . 1 49 GLU C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -82.30 -46.30 -62.29 -68.51 -57.46 . . 0 "[ . 1 . 2 . 3 .]"
42 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 LEU N -61.90 -23.10 -42.10 -44.05 -44.59 . . 0 "[ . 1 . 2 . 3 .]"
43 . 1 50 GLN C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -86.40 -44.80 -62.08 -61.46 -62.66 . . 0 "[ . 1 . 2 . 3 .]"
44 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 TRP N -62.60 -16.20 -37.06 -39.99 -31.69 . . 0 "[ . 1 . 2 . 3 .]"
45 . 1 51 LEU C 1 52 TRP N 1 52 TRP CA 1 52 TRP C -91.40 -43.20 -58.51 -61.17 -54.00 . . 0 "[ . 1 . 2 . 3 .]"
46 . 1 52 TRP N 1 52 TRP CA 1 52 TRP C 1 53 GLU N -62.50 -20.50 -37.42 -37.03 -37.19 . . 0 "[ . 1 . 2 . 3 .]"
47 . 1 52 TRP C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -84.70 -43.90 -63.01 -61.22 -61.81 . . 0 "[ . 1 . 2 . 3 .]"
48 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ILE N -62.90 -21.10 -32.09 -31.25 -31.95 . . 0 "[ . 1 . 2 . 3 .]"
49 . 1 53 GLU C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -84.50 -47.30 -71.00 -72.58 -64.86 . . 0 "[ . 1 . 2 . 3 .]"
50 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 MET N -60.50 -20.50 -56.78 -60.64 -42.84 0.14 4 0 "[ . 1 . 2 . 3 .]"
51 . 1 54 ILE C 1 55 MET N 1 55 MET CA 1 55 MET C -82.10 -41.90 -61.08 -68.68 -57.34 . . 0 "[ . 1 . 2 . 3 .]"
52 . 1 55 MET N 1 55 MET CA 1 55 MET C 1 56 GLN N -64.30 -22.30 -29.24 -33.31 -24.36 . . 0 "[ . 1 . 2 . 3 .]"
53 . 1 55 MET C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -81.80 -46.80 -66.82 -68.85 -69.11 . . 0 "[ . 1 . 2 . 3 .]"
54 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 LEU N -60.10 -21.30 -38.11 -37.69 -37.82 . . 0 "[ . 1 . 2 . 3 .]"
55 . 1 56 GLN C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -83.00 -47.20 -53.67 -53.38 -53.63 . . 0 "[ . 1 . 2 . 3 .]"
56 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 HIS N -61.20 -24.60 -33.12 -32.33 -32.50 . . 0 "[ . 1 . 2 . 3 .]"
57 . 1 57 LEU C 1 58 HIS N 1 58 HIS CA 1 58 HIS C -82.20 -44.60 -55.58 -54.63 -54.73 . . 0 "[ . 1 . 2 . 3 .]"
58 . 1 58 HIS N 1 58 HIS CA 1 58 HIS C 1 59 HIS N -60.00 -21.60 -38.26 -40.83 -35.39 . . 0 "[ . 1 . 2 . 3 .]"
59 . 1 58 HIS C 1 59 HIS N 1 59 HIS CA 1 59 HIS C -82.70 -43.70 -61.60 -71.20 -58.57 . . 0 "[ . 1 . 2 . 3 .]"
60 . 1 59 HIS N 1 59 HIS CA 1 59 HIS C 1 60 GLN N -64.80 -17.40 -49.39 -54.79 -46.14 . . 0 "[ . 1 . 2 . 3 .]"
61 . 1 59 HIS C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -87.80 -34.80 -59.93 -63.20 -56.76 . . 0 "[ . 1 . 2 . 3 .]"
62 . 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 ARG N -65.30 -22.90 -36.35 -34.19 -34.46 . . 0 "[ . 1 . 2 . 3 .]"
63 . 1 60 GLN C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -82.00 -40.60 -65.16 -74.39 -61.18 . . 0 "[ . 1 . 2 . 3 .]"
64 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 SER N -61.70 -21.90 -49.60 -50.32 -50.46 . . 0 "[ . 1 . 2 . 3 .]"
65 . 1 61 ARG C 1 62 SER N 1 62 SER CA 1 62 SER C -82.90 -42.10 -63.41 -63.38 -63.46 . . 0 "[ . 1 . 2 . 3 .]"
66 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 ARG N -59.10 -17.90 -39.34 -38.78 -39.02 . . 0 "[ . 1 . 2 . 3 .]"
67 . 1 62 SER C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -91.70 -46.70 -64.10 -65.73 -62.14 . . 0 "[ . 1 . 2 . 3 .]"
68 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 TYR N -55.40 -13.00 -39.49 -42.61 -37.16 . . 0 "[ . 1 . 2 . 3 .]"
69 . 1 63 ARG C 1 64 TYR N 1 64 TYR CA 1 64 TYR C -105.20 -41.20 -62.15 -63.05 -63.19 . . 0 "[ . 1 . 2 . 3 .]"
70 . 1 64 TYR N 1 64 TYR CA 1 64 TYR C 1 65 ILE N -67.10 -13.90 -50.22 -51.70 -52.28 . . 0 "[ . 1 . 2 . 3 .]"
71 . 1 64 TYR C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -80.20 -43.00 -72.19 -69.81 -70.20 . . 0 "[ . 1 . 2 . 3 .]"
72 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 TYR N -63.00 -23.80 -39.69 -44.25 -34.71 . . 0 "[ . 1 . 2 . 3 .]"
73 . 1 65 ILE C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -80.10 -44.70 -63.81 -66.57 -66.83 . . 0 "[ . 1 . 2 . 3 .]"
74 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 THR N -58.80 -21.80 -36.99 -43.25 -22.06 . . 0 "[ . 1 . 2 . 3 .]"
75 . 1 66 TYR C 1 67 THR N 1 67 THR CA 1 67 THR C -90.70 -44.30 -70.11 -61.27 -61.35 0.32 21 0 "[ . 1 . 2 . 3 .]"
76 . 1 67 THR N 1 67 THR CA 1 67 THR C 1 68 LEU N -62.50 -20.10 -39.31 -42.28 -34.69 . . 0 "[ . 1 . 2 . 3 .]"
77 . 1 67 THR C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -82.30 -41.50 -83.10 -83.35 -82.87 1.05 18 0 "[ . 1 . 2 . 3 .]"
78 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 TYR N -67.90 -15.90 -33.44 -36.72 -30.28 . . 0 "[ . 1 . 2 . 3 .]"
79 . 1 68 LEU C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -85.60 -38.60 -86.40 -86.33 -86.35 1.10 26 0 "[ . 1 . 2 . 3 .]"
80 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 TYR N -64.70 -24.90 -34.39 -41.47 -32.02 . . 0 "[ . 1 . 2 . 3 .]"
81 . 1 69 TYR C 1 70 TYR N 1 70 TYR CA 1 70 TYR C -98.30 -45.10 -96.94 -98.56 -89.65 0.26 10 0 "[ . 1 . 2 . 3 .]"
82 . 1 70 TYR N 1 70 TYR CA 1 70 TYR C 1 71 LYS N -66.50 -3.50 -17.16 -17.11 -17.90 0.15 17 0 "[ . 1 . 2 . 3 .]"
83 . 1 76 SER C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -79.40 -38.80 -45.86 -45.60 -45.79 . . 0 "[ . 1 . 2 . 3 .]"
84 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 ASP N -60.60 -16.80 -32.38 -33.83 -30.60 . . 0 "[ . 1 . 2 . 3 .]"
85 . 1 77 LYS C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -81.90 -41.70 -62.07 -65.49 -60.44 . . 0 "[ . 1 . 2 . 3 .]"
86 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 LEU N -61.10 -22.50 -50.26 -52.01 -47.02 . . 0 "[ . 1 . 2 . 3 .]"
87 . 1 78 ASP C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -81.80 -47.00 -66.91 -67.51 -67.90 . . 0 "[ . 1 . 2 . 3 .]"
88 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 TYR N -63.80 -20.20 -43.95 -43.85 -44.02 . . 0 "[ . 1 . 2 . 3 .]"
89 . 1 79 LEU C 1 80 TYR N 1 80 TYR CA 1 80 TYR C -85.10 -41.10 -60.82 -67.85 -57.41 . . 0 "[ . 1 . 2 . 3 .]"
90 . 1 80 TYR N 1 80 TYR CA 1 80 TYR C 1 81 ASP N -71.60 -23.60 -38.98 -41.72 -36.56 . . 0 "[ . 1 . 2 . 3 .]"
91 . 1 80 TYR C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -85.00 -41.60 -72.88 -76.17 -69.59 . . 0 "[ . 1 . 2 . 3 .]"
92 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 TRP N -58.90 -21.70 -42.15 -41.38 -41.58 . . 0 "[ . 1 . 2 . 3 .]"
93 . 1 81 ASP C 1 82 TRP N 1 82 TRP CA 1 82 TRP C -92.30 -44.30 -57.70 -60.21 -55.11 . . 0 "[ . 1 . 2 . 3 .]"
94 . 1 82 TRP N 1 82 TRP CA 1 82 TRP C 1 83 LEU N -62.60 -21.20 -37.29 -39.59 -34.68 . . 0 "[ . 1 . 2 . 3 .]"
95 . 1 82 TRP C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -81.00 -40.20 -67.70 -67.60 -67.81 . . 0 "[ . 1 . 2 . 3 .]"
96 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 ILE N -59.50 -13.90 -52.21 -59.89 -46.06 0.39 14 0 "[ . 1 . 2 . 3 .]"
97 . 1 83 LEU C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -87.80 -50.20 -57.01 -56.27 -56.40 . . 0 "[ . 1 . 2 . 3 .]"
98 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 LYS N -56.50 -14.90 -30.43 -27.73 -29.27 . . 0 "[ . 1 . 2 . 3 .]"
99 . 1 84 ILE C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -89.10 -45.10 -87.66 -88.20 -88.75 0.42 18 0 "[ . 1 . 2 . 3 .]"
100 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 GLU N -57.50 -4.30 -16.85 -23.90 -5.80 . . 0 "[ . 1 . 2 . 3 .]"
101 . 1 85 LYS C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -114.90 -72.90 -105.53 -102.91 -103.68 0.11 5 0 "[ . 1 . 2 . 3 .]"
102 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 LYS N -7.10 39.70 22.68 22.90 22.73 . . 0 "[ . 1 . 2 . 3 .]"
103 . 1 88 TYR C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -165.10 -101.90 -127.97 -137.41 -114.68 . . 0 "[ . 1 . 2 . 3 .]"
104 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 ASP N 131.40 -170.80 173.71 160.15 -171.23 . . 0 "[ . 1 . 2 . 3 .]"
105 . 1 89 ALA C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -144.90 -48.50 -118.74 -127.60 -130.91 . . 0 "[ . 1 . 2 . 3 .]"
106 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 LYS N 102.90 171.90 111.48 121.10 120.25 0.33 19 0 "[ . 1 . 2 . 3 .]"
107 . 1 90 ASP C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -78.10 -37.10 -62.40 -70.11 -73.65 . . 0 "[ . 1 . 2 . 3 .]"
108 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 LEU N -62.20 -9.40 -38.44 -35.76 -36.75 . . 0 "[ . 1 . 2 . 3 .]"
109 . 1 91 LYS C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -83.80 -48.60 -59.92 -59.78 -59.97 . . 0 "[ . 1 . 2 . 3 .]"
110 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 LEU N -61.90 -18.90 -39.72 -46.60 -37.12 . . 0 "[ . 1 . 2 . 3 .]"
111 . 1 92 LEU C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -85.40 -46.00 -69.15 -72.81 -63.73 . . 0 "[ . 1 . 2 . 3 .]"
112 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ILE N -65.00 -24.40 -49.57 -56.71 -43.44 . . 0 "[ . 1 . 2 . 3 .]"
113 . 1 93 LEU C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -85.90 -40.10 -59.75 -58.60 -58.86 . . 0 "[ . 1 . 2 . 3 .]"
114 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 ALA N -63.00 -26.60 -35.64 -40.00 -29.88 . . 0 "[ . 1 . 2 . 3 .]"
115 . 1 94 ILE C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -83.50 -43.10 -66.86 -68.48 -69.68 . . 0 "[ . 1 . 2 . 3 .]"
116 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 LYS N -62.10 -9.70 -41.13 -40.21 -41.10 . . 0 "[ . 1 . 2 . 3 .]"
117 . 1 95 ALA C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -108.00 -43.20 -58.41 -57.48 -57.62 . . 0 "[ . 1 . 2 . 3 .]"
118 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 TRP N -61.10 19.30 -43.33 -47.97 -38.94 . . 0 "[ . 1 . 2 . 3 .]"
119 . 1 96 LYS C 1 97 TRP N 1 97 TRP CA 1 97 TRP C -122.40 -47.60 -63.51 -67.01 -68.10 . . 0 "[ . 1 . 2 . 3 .]"
120 . 1 97 TRP N 1 97 TRP CA 1 97 TRP C 1 98 ARG N -44.60 44.80 -34.85 -36.68 -37.46 . . 0 "[ . 1 . 2 . 3 .]"
121 . 1 127 PRO C 1 128 ARG N 1 128 ARG CA 1 128 ARG C -74.90 -35.30 -75.10 -75.26 -74.98 0.36 9 0 "[ . 1 . 2 . 3 .]"
122 . 1 128 ARG N 1 128 ARG CA 1 128 ARG C 1 129 ALA N -60.90 -18.10 -37.48 -40.26 -35.93 . . 0 "[ . 1 . 2 . 3 .]"
123 . 1 128 ARG C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -79.60 -38.60 -58.11 -57.56 -57.61 . . 0 "[ . 1 . 2 . 3 .]"
124 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 GLN N -61.40 -20.00 -41.38 -40.37 -40.54 . . 0 "[ . 1 . 2 . 3 .]"
125 . 1 129 ALA C 1 130 GLN N 1 130 GLN CA 1 130 GLN C -85.40 -44.40 -68.34 -68.80 -69.19 . . 0 "[ . 1 . 2 . 3 .]"
126 . 1 130 GLN N 1 130 GLN CA 1 130 GLN C 1 131 LEU N -61.80 -23.20 -41.58 -42.59 -40.71 . . 0 "[ . 1 . 2 . 3 .]"
127 . 1 130 GLN C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -85.00 -42.20 -64.41 -67.14 -61.00 . . 0 "[ . 1 . 2 . 3 .]"
128 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 GLU N -55.20 -18.40 -39.27 -40.92 -38.44 . . 0 "[ . 1 . 2 . 3 .]"
129 . 1 131 LEU C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -86.80 -43.40 -60.19 -59.32 -59.68 . . 0 "[ . 1 . 2 . 3 .]"
130 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 GLU N -57.90 -17.10 -39.24 -39.15 -39.35 . . 0 "[ . 1 . 2 . 3 .]"
131 . 1 132 GLU C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -85.70 -45.30 -59.45 -58.44 -58.58 . . 0 "[ . 1 . 2 . 3 .]"
132 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 GLU N -61.70 -20.10 -37.96 -40.07 -35.88 . . 0 "[ . 1 . 2 . 3 .]"
133 . 1 133 GLU C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -83.60 -43.40 -62.09 -68.37 -59.37 . . 0 "[ . 1 . 2 . 3 .]"
134 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 ALA N -62.40 -11.60 -44.01 -50.38 -39.55 . . 0 "[ . 1 . 2 . 3 .]"
135 . 1 134 GLU C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -97.00 -38.40 -62.03 -59.21 -59.81 . . 0 "[ . 1 . 2 . 3 .]"
136 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 ARG N -62.30 -12.10 -41.69 -46.41 -48.23 . . 0 "[ . 1 . 2 . 3 .]"
137 . 1 135 ALA C 1 136 ARG N 1 136 ARG CA 1 136 ARG C -93.20 -33.40 -62.03 -68.96 -57.94 . . 0 "[ . 1 . 2 . 3 .]"
138 . 1 136 ARG N 1 136 ARG CA 1 136 ARG C 1 137 LYS N -63.00 -23.60 -36.29 -40.27 -30.96 . . 0 "[ . 1 . 2 . 3 .]"
139 . 1 136 ARG C 1 137 LYS N 1 137 LYS CA 1 137 LYS C -87.00 -41.40 -73.02 -87.13 -57.87 0.13 22 0 "[ . 1 . 2 . 3 .]"
140 . 1 137 LYS N 1 137 LYS CA 1 137 LYS C 1 138 LYS N -58.60 -9.60 -33.90 -42.14 -29.03 . . 0 "[ . 1 . 2 . 3 .]"
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