NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
508907 | 2yrj | 11239 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2yrj save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 8 _TA_constraint_stats_list.Viol_count 14 _TA_constraint_stats_list.Viol_total 45.37 _TA_constraint_stats_list.Viol_max 0.38 _TA_constraint_stats_list.Viol_rms 0.06 _TA_constraint_stats_list.Viol_average_all_restraints 0.01 _TA_constraint_stats_list.Viol_average_violations_only 0.16 _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 PHI 1 10 GLU C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -118.50 -58.50 -112.20 -115.07 -115.79 . . 0 "[ . 1 . 2]" 2 PSI 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 PRO N 109.10 169.10 110.10 108.72 114.38 0.38 3 0 "[ . 1 . 2]" 3 PHI 1 20 LYS C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -161.60 -101.60 -149.54 -146.22 -148.28 . . 0 "[ . 1 . 2]" 4 PSI 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 PHE N 125.50 -174.50 159.33 159.63 159.52 . . 0 "[ . 1 . 2]" 5 PHI 1 21 ALA C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -159.80 -99.80 -159.15 -159.33 -159.48 0.10 17 0 "[ . 1 . 2]" 6 PSI 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ALA N 111.80 171.80 140.55 128.82 145.66 . . 0 "[ . 1 . 2]" 7 PHI 1 38 GLU C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -137.50 -77.50 -109.59 -130.13 -86.42 . . 0 "[ . 1 . 2]" 8 PSI 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 PRO N 114.80 174.80 148.76 137.00 157.41 . . 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 165 _TA_constraint_stats_list.Viol_count 93 _TA_constraint_stats_list.Viol_total 1858.64 _TA_constraint_stats_list.Viol_max 3.47 _TA_constraint_stats_list.Viol_rms 0.24 _TA_constraint_stats_list.Viol_average_all_restraints 0.03 _TA_constraint_stats_list.Viol_average_violations_only 1.00 _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 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG -90.00 -150.00 -112.62 50.39 -52.52 . . 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 -112.62 50.39 -52.52 . . 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 -112.62 50.39 -52.52 . . 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 -144.83 54.34 -61.03 . . 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 -144.83 54.34 -61.03 . . 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 -144.83 54.34 -61.03 . . 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 78.34 167.94 71.91 . . 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 78.34 167.94 71.91 . . 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 78.34 167.94 71.91 . . 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 -173.51 175.12 75.15 . . 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 -173.51 175.12 75.15 . . 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 -173.51 175.12 75.15 . . 0 "[ . 1 . 2]" 13 CHI1 1 8 THR N 1 8 THR CA 1 8 THR CB 1 8 THR OG1 -90.00 -150.00 20.24 -56.78 -179.04 . . 0 "[ . 1 . 2]" 14 CHI1 1 8 THR N 1 8 THR CA 1 8 THR CB 1 8 THR OG1 30.00 -30.00 20.24 -56.78 -179.04 . . 0 "[ . 1 . 2]" 15 CHI1 1 8 THR N 1 8 THR CA 1 8 THR CB 1 8 THR OG1 150.00 90.00 20.24 -56.78 -179.04 . . 0 "[ . 1 . 2]" 16 CHI1 1 10 GLU N 1 10 GLU CA 1 10 GLU CB 1 10 GLU CG -90.00 -150.00 -78.40 -87.30 -60.57 . . 0 "[ . 1 . 2]" 17 CHI1 1 10 GLU N 1 10 GLU CA 1 10 GLU CB 1 10 GLU CG 30.00 -30.00 -78.40 -87.30 -60.57 . . 0 "[ . 1 . 2]" 18 CHI1 1 10 GLU N 1 10 GLU CA 1 10 GLU CB 1 10 GLU CG 150.00 90.00 -78.40 -87.30 -60.57 . . 0 "[ . 1 . 2]" 19 CHI2 1 10 GLU CA 1 10 GLU CB 1 10 GLU CG 1 10 GLU CD -90.00 -150.00 158.05 -83.42 -156.23 . . 0 "[ . 1 . 2]" 20 CHI2 1 10 GLU CA 1 10 GLU CB 1 10 GLU CG 1 10 GLU CD 30.00 -30.00 158.05 -83.42 -156.23 . . 0 "[ . 1 . 2]" 21 CHI2 1 10 GLU CA 1 10 GLU CB 1 10 GLU CG 1 10 GLU CD 150.00 90.00 158.05 -83.42 -156.23 . . 0 "[ . 1 . 2]" 22 CHI1 1 11 LYS N 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG -90.00 -150.00 -52.43 -56.77 -48.68 . . 0 "[ . 1 . 2]" 23 CHI1 1 11 LYS N 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG 30.00 -30.00 -52.43 -56.77 -48.68 . . 0 "[ . 1 . 2]" 24 CHI1 1 11 LYS N 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG 150.00 90.00 -52.43 -56.77 -48.68 . . 0 "[ . 1 . 2]" 25 CHI2 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG 1 11 LYS CD -90.00 -150.00 153.80 150.38 158.63 . . 0 "[ . 1 . 2]" 26 CHI2 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG 1 11 LYS CD 30.00 -30.00 153.80 150.38 158.63 . . 0 "[ . 1 . 2]" 27 CHI2 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG 1 11 LYS CD 150.00 90.00 153.80 150.38 158.63 . . 0 "[ . 1 . 2]" 28 CHI3 1 11 LYS CB 1 11 LYS CG 1 11 LYS CD 1 11 LYS CE -90.00 -150.00 166.39 153.44 -177.62 . . 0 "[ . 1 . 2]" 29 CHI3 1 11 LYS CB 1 11 LYS CG 1 11 LYS CD 1 11 LYS CE 30.00 -30.00 166.39 153.44 -177.62 . . 0 "[ . 1 . 2]" 30 CHI3 1 11 LYS CB 1 11 LYS CG 1 11 LYS CD 1 11 LYS CE 150.00 90.00 166.39 153.44 -177.62 . . 0 "[ . 1 . 2]" 31 CHI4 1 11 LYS CG 1 11 LYS CD 1 11 LYS CE 1 11 LYS NZ -90.00 -150.00 149.70 67.91 -90.62 0.62 12 0 "[ . 1 . 2]" 32 CHI4 1 11 LYS CG 1 11 LYS CD 1 11 LYS CE 1 11 LYS NZ 30.00 -30.00 149.70 67.91 -90.62 . . 0 "[ . 1 . 2]" 33 CHI4 1 11 LYS CG 1 11 LYS CD 1 11 LYS CE 1 11 LYS NZ 150.00 90.00 149.70 67.91 -90.62 . . 0 "[ . 1 . 2]" 34 CHI1 1 13 TYR N 1 13 TYR CA 1 13 TYR CB 1 13 TYR CG -90.00 -150.00 -45.51 -45.50 -45.80 . . 0 "[ . 1 . 2]" 35 CHI1 1 13 TYR N 1 13 TYR CA 1 13 TYR CB 1 13 TYR CG 30.00 -30.00 -45.51 -45.50 -45.80 . . 0 "[ . 1 . 2]" 36 CHI1 1 13 TYR N 1 13 TYR CA 1 13 TYR CB 1 13 TYR CG 150.00 90.00 -45.51 -45.50 -45.80 . . 0 "[ . 1 . 2]" 37 CHI1 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG -90.00 -150.00 -149.50 -149.26 -149.31 1.48 10 0 "[ . 1 . 2]" 38 CHI1 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 30.00 -30.00 -149.50 -149.26 -149.31 . . 0 "[ . 1 . 2]" 39 CHI1 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 150.00 90.00 -149.50 -149.26 -149.31 . . 0 "[ . 1 . 2]" 40 CHI2 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD -90.00 -150.00 174.92 167.59 179.76 . . 0 "[ . 1 . 2]" 41 CHI2 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 30.00 -30.00 174.92 167.59 179.76 . . 0 "[ . 1 . 2]" 42 CHI2 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 150.00 90.00 174.92 167.59 179.76 . . 0 "[ . 1 . 2]" 43 CHI3 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 1 14 ARG NE -90.00 -150.00 -149.15 -179.72 79.12 . . 0 "[ . 1 . 2]" 44 CHI3 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 1 14 ARG NE 30.00 -30.00 -149.15 -179.72 79.12 . . 0 "[ . 1 . 2]" 45 CHI3 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 1 14 ARG NE 150.00 90.00 -149.15 -179.72 79.12 . . 0 "[ . 1 . 2]" 46 CHI1 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG -90.00 -150.00 165.48 164.23 167.53 . . 0 "[ . 1 . 2]" 47 CHI1 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG 30.00 -30.00 165.48 164.23 167.53 . . 0 "[ . 1 . 2]" 48 CHI1 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG 150.00 90.00 165.48 164.23 167.53 . . 0 "[ . 1 . 2]" 49 CHI1 1 17 GLU N 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG -90.00 -150.00 -150.52 -161.46 -92.29 2.29 16 0 "[ . 1 . 2]" 50 CHI1 1 17 GLU N 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 30.00 -30.00 -150.52 -161.46 -92.29 . . 0 "[ . 1 . 2]" 51 CHI1 1 17 GLU N 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 150.00 90.00 -150.52 -161.46 -92.29 . . 0 "[ . 1 . 2]" 52 CHI2 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 1 17 GLU CD -90.00 -150.00 50.31 45.85 45.43 . . 0 "[ . 1 . 2]" 53 CHI2 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 1 17 GLU CD 30.00 -30.00 50.31 45.85 45.43 0.25 16 0 "[ . 1 . 2]" 54 CHI2 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 1 17 GLU CD 150.00 90.00 50.31 45.85 45.43 . . 0 "[ . 1 . 2]" 55 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG -90.00 -150.00 61.04 60.44 60.28 . . 0 "[ . 1 . 2]" 56 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 30.00 -30.00 61.04 60.44 60.28 . . 0 "[ . 1 . 2]" 57 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 150.00 90.00 61.04 60.44 60.28 . . 0 "[ . 1 . 2]" 58 CHI1 1 20 LYS N 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG -90.00 -150.00 -92.72 -93.47 -92.28 3.47 16 0 "[ . 1 . 2]" 59 CHI1 1 20 LYS N 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 30.00 -30.00 -92.72 -93.47 -92.28 . . 0 "[ . 1 . 2]" 60 CHI1 1 20 LYS N 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 150.00 90.00 -92.72 -93.47 -92.28 . . 0 "[ . 1 . 2]" 61 CHI2 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD -90.00 -150.00 -151.23 -150.18 -150.35 0.11 14 0 "[ . 1 . 2]" 62 CHI2 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 30.00 -30.00 -151.23 -150.18 -150.35 . . 0 "[ . 1 . 2]" 63 CHI2 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 150.00 90.00 -151.23 -150.18 -150.35 . . 0 "[ . 1 . 2]" 64 CHI3 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE -90.00 -150.00 141.33 167.26 165.83 . . 0 "[ . 1 . 2]" 65 CHI3 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 30.00 -30.00 141.33 167.26 165.83 . . 0 "[ . 1 . 2]" 66 CHI3 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 150.00 90.00 141.33 167.26 165.83 0.09 11 0 "[ . 1 . 2]" 67 CHI4 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 1 20 LYS NZ -90.00 -150.00 158.62 -68.81 -167.60 . . 0 "[ . 1 . 2]" 68 CHI4 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 1 20 LYS NZ 30.00 -30.00 158.62 -68.81 -167.60 . . 0 "[ . 1 . 2]" 69 CHI4 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 1 20 LYS NZ 150.00 90.00 158.62 -68.81 -167.60 . . 0 "[ . 1 . 2]" 70 CHI1 1 22 PHE N 1 22 PHE CA 1 22 PHE CB 1 22 PHE CG -90.00 -150.00 -53.02 -52.82 -53.42 . . 0 "[ . 1 . 2]" 71 CHI1 1 22 PHE N 1 22 PHE CA 1 22 PHE CB 1 22 PHE CG 30.00 -30.00 -53.02 -52.82 -53.42 . . 0 "[ . 1 . 2]" 72 CHI1 1 22 PHE N 1 22 PHE CA 1 22 PHE CB 1 22 PHE CG 150.00 90.00 -53.02 -52.82 -53.42 . . 0 "[ . 1 . 2]" 73 CHI1 1 24 GLN N 1 24 GLN CA 1 24 GLN CB 1 24 GLN CG -90.00 -150.00 -80.99 -80.91 -83.46 . . 0 "[ . 1 . 2]" 74 CHI1 1 24 GLN N 1 24 GLN CA 1 24 GLN CB 1 24 GLN CG 30.00 -30.00 -80.99 -80.91 -83.46 . . 0 "[ . 1 . 2]" 75 CHI1 1 24 GLN N 1 24 GLN CA 1 24 GLN CB 1 24 GLN CG 150.00 90.00 -80.99 -80.91 -83.46 . . 0 "[ . 1 . 2]" 76 CHI2 1 24 GLN CA 1 24 GLN CB 1 24 GLN CG 1 24 GLN CD -90.00 -150.00 113.53 71.59 159.54 . . 0 "[ . 1 . 2]" 77 CHI2 1 24 GLN CA 1 24 GLN CB 1 24 GLN CG 1 24 GLN CD 30.00 -30.00 113.53 71.59 159.54 . . 0 "[ . 1 . 2]" 78 CHI2 1 24 GLN CA 1 24 GLN CB 1 24 GLN CG 1 24 GLN CD 150.00 90.00 113.53 71.59 159.54 0.02 12 0 "[ . 1 . 2]" 79 CHI1 1 25 LYS N 1 25 LYS CA 1 25 LYS CB 1 25 LYS CG -90.00 -150.00 -89.76 -90.93 -87.61 0.93 16 0 "[ . 1 . 2]" 80 CHI1 1 25 LYS N 1 25 LYS CA 1 25 LYS CB 1 25 LYS CG 30.00 -30.00 -89.76 -90.93 -87.61 . . 0 "[ . 1 . 2]" 81 CHI1 1 25 LYS N 1 25 LYS CA 1 25 LYS CB 1 25 LYS CG 150.00 90.00 -89.76 -90.93 -87.61 . . 0 "[ . 1 . 2]" 82 CHI2 1 25 LYS CA 1 25 LYS CB 1 25 LYS CG 1 25 LYS CD -90.00 -150.00 -68.28 -65.69 -66.61 2.32 16 0 "[ . 1 . 2]" 83 CHI2 1 25 LYS CA 1 25 LYS CB 1 25 LYS CG 1 25 LYS CD 30.00 -30.00 -68.28 -65.69 -66.61 . . 0 "[ . 1 . 2]" 84 CHI2 1 25 LYS CA 1 25 LYS CB 1 25 LYS CG 1 25 LYS CD 150.00 90.00 -68.28 -65.69 -66.61 . . 0 "[ . 1 . 2]" 85 CHI3 1 25 LYS CB 1 25 LYS CG 1 25 LYS CD 1 25 LYS CE -90.00 -150.00 -50.45 -55.40 -56.25 . . 0 "[ . 1 . 2]" 86 CHI3 1 25 LYS CB 1 25 LYS CG 1 25 LYS CD 1 25 LYS CE 30.00 -30.00 -50.45 -55.40 -56.25 . . 0 "[ . 1 . 2]" 87 CHI3 1 25 LYS CB 1 25 LYS CG 1 25 LYS CD 1 25 LYS CE 150.00 90.00 -50.45 -55.40 -56.25 . . 0 "[ . 1 . 2]" 88 CHI4 1 25 LYS CG 1 25 LYS CD 1 25 LYS CE 1 25 LYS NZ -90.00 -150.00 -96.20 162.51 -50.31 . . 0 "[ . 1 . 2]" 89 CHI4 1 25 LYS CG 1 25 LYS CD 1 25 LYS CE 1 25 LYS NZ 30.00 -30.00 -96.20 162.51 -50.31 . . 0 "[ . 1 . 2]" 90 CHI4 1 25 LYS CG 1 25 LYS CD 1 25 LYS CE 1 25 LYS NZ 150.00 90.00 -96.20 162.51 -50.31 . . 0 "[ . 1 . 2]" 91 CHI1 1 27 ASN N 1 27 ASN CA 1 27 ASN CB 1 27 ASN CG -90.00 -150.00 -162.46 -169.27 -149.99 0.01 11 0 "[ . 1 . 2]" 92 CHI1 1 27 ASN N 1 27 ASN CA 1 27 ASN CB 1 27 ASN CG 30.00 -30.00 -162.46 -169.27 -149.99 . . 0 "[ . 1 . 2]" 93 CHI1 1 27 ASN N 1 27 ASN CA 1 27 ASN CB 1 27 ASN CG 150.00 90.00 -162.46 -169.27 -149.99 . . 0 "[ . 1 . 2]" 94 CHI1 1 28 LEU N 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG -90.00 -150.00 157.28 155.17 160.30 . . 0 "[ . 1 . 2]" 95 CHI1 1 28 LEU N 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 30.00 -30.00 157.28 155.17 160.30 . . 0 "[ . 1 . 2]" 96 CHI1 1 28 LEU N 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 150.00 90.00 157.28 155.17 160.30 . . 0 "[ . 1 . 2]" 97 CHI2 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 1 28 LEU CD1 -90.00 -150.00 68.55 68.73 67.98 . . 0 "[ . 1 . 2]" 98 CHI2 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 1 28 LEU CD1 30.00 -30.00 68.55 68.73 67.98 . . 0 "[ . 1 . 2]" 99 CHI2 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 1 28 LEU CD1 150.00 90.00 68.55 68.73 67.98 . . 0 "[ . 1 . 2]" 100 CHI1 1 29 THR N 1 29 THR CA 1 29 THR CB 1 29 THR OG1 -90.00 -150.00 -67.64 -73.86 -63.56 . . 0 "[ . 1 . 2]" 101 CHI1 1 29 THR N 1 29 THR CA 1 29 THR CB 1 29 THR OG1 30.00 -30.00 -67.64 -73.86 -63.56 . . 0 "[ . 1 . 2]" 102 CHI1 1 29 THR N 1 29 THR CA 1 29 THR CB 1 29 THR OG1 150.00 90.00 -67.64 -73.86 -63.56 . . 0 "[ . 1 . 2]" 103 CHI1 1 30 GLN N 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG -90.00 -150.00 74.35 75.40 75.21 . . 0 "[ . 1 . 2]" 104 CHI1 1 30 GLN N 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG 30.00 -30.00 74.35 75.40 75.21 . . 0 "[ . 1 . 2]" 105 CHI1 1 30 GLN N 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG 150.00 90.00 74.35 75.40 75.21 . . 0 "[ . 1 . 2]" 106 CHI2 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG 1 30 GLN CD -90.00 -150.00 159.72 150.16 172.48 . . 0 "[ . 1 . 2]" 107 CHI2 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG 1 30 GLN CD 30.00 -30.00 159.72 150.16 172.48 . . 0 "[ . 1 . 2]" 108 CHI2 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG 1 30 GLN CD 150.00 90.00 159.72 150.16 172.48 . . 0 "[ . 1 . 2]" 109 CHI1 1 31 HIS N 1 31 HIS CA 1 31 HIS CB 1 31 HIS CG -90.00 -150.00 149.46 148.64 150.33 . . 0 "[ . 1 . 2]" 110 CHI1 1 31 HIS N 1 31 HIS CA 1 31 HIS CB 1 31 HIS CG 30.00 -30.00 149.46 148.64 150.33 . . 0 "[ . 1 . 2]" 111 CHI1 1 31 HIS N 1 31 HIS CA 1 31 HIS CB 1 31 HIS CG 150.00 90.00 149.46 148.64 150.33 1.36 11 0 "[ . 1 . 2]" 112 CHI1 1 32 GLN N 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG -90.00 -150.00 -49.26 -52.17 -46.21 . . 0 "[ . 1 . 2]" 113 CHI1 1 32 GLN N 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 30.00 -30.00 -49.26 -52.17 -46.21 . . 0 "[ . 1 . 2]" 114 CHI1 1 32 GLN N 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 150.00 90.00 -49.26 -52.17 -46.21 . . 0 "[ . 1 . 2]" 115 CHI2 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 1 32 GLN CD -90.00 -150.00 -157.07 -161.67 -164.19 . . 0 "[ . 1 . 2]" 116 CHI2 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 1 32 GLN CD 30.00 -30.00 -157.07 -161.67 -164.19 . . 0 "[ . 1 . 2]" 117 CHI2 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 1 32 GLN CD 150.00 90.00 -157.07 -161.67 -164.19 . . 0 "[ . 1 . 2]" 118 CHI1 1 33 ARG N 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG -90.00 -150.00 -50.43 -42.44 -45.77 . . 0 "[ . 1 . 2]" 119 CHI1 1 33 ARG N 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 30.00 -30.00 -50.43 -42.44 -45.77 . . 0 "[ . 1 . 2]" 120 CHI1 1 33 ARG N 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 150.00 90.00 -50.43 -42.44 -45.77 . . 0 "[ . 1 . 2]" 121 CHI2 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD -90.00 -150.00 -120.27 -160.91 -64.75 1.03 15 0 "[ . 1 . 2]" 122 CHI2 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 30.00 -30.00 -120.27 -160.91 -64.75 . . 0 "[ . 1 . 2]" 123 CHI2 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 150.00 90.00 -120.27 -160.91 -64.75 . . 0 "[ . 1 . 2]" 124 CHI3 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 1 33 ARG NE -90.00 -150.00 -101.01 -89.71 -90.06 0.22 18 0 "[ . 1 . 2]" 125 CHI3 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 1 33 ARG NE 30.00 -30.00 -101.01 -89.71 -90.06 . . 0 "[ . 1 . 2]" 126 CHI3 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 1 33 ARG NE 150.00 90.00 -101.01 -89.71 -90.06 0.78 15 0 "[ . 1 . 2]" 127 CHI1 1 34 ILE N 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 -90.00 -150.00 79.19 78.60 78.27 . . 0 "[ . 1 . 2]" 128 CHI1 1 34 ILE N 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 30.00 -30.00 79.19 78.60 78.27 . . 0 "[ . 1 . 2]" 129 CHI1 1 34 ILE N 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 150.00 90.00 79.19 78.60 78.27 . . 0 "[ . 1 . 2]" 130 CHI21 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 1 34 ILE CD1 -90.00 -150.00 177.23 174.80 -179.64 . . 0 "[ . 1 . 2]" 131 CHI21 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 1 34 ILE CD1 30.00 -30.00 177.23 174.80 -179.64 . . 0 "[ . 1 . 2]" 132 CHI21 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 1 34 ILE CD1 150.00 90.00 177.23 174.80 -179.64 . . 0 "[ . 1 . 2]" 133 CHI1 1 35 HIS N 1 35 HIS CA 1 35 HIS CB 1 35 HIS CG -90.00 -150.00 -53.77 -57.49 -49.85 . . 0 "[ . 1 . 2]" 134 CHI1 1 35 HIS N 1 35 HIS CA 1 35 HIS CB 1 35 HIS CG 30.00 -30.00 -53.77 -57.49 -49.85 . . 0 "[ . 1 . 2]" 135 CHI1 1 35 HIS N 1 35 HIS CA 1 35 HIS CB 1 35 HIS CG 150.00 90.00 -53.77 -57.49 -49.85 . . 0 "[ . 1 . 2]" 136 CHI1 1 36 THR N 1 36 THR CA 1 36 THR CB 1 36 THR OG1 -90.00 -150.00 67.59 64.80 63.14 . . 0 "[ . 1 . 2]" 137 CHI1 1 36 THR N 1 36 THR CA 1 36 THR CB 1 36 THR OG1 30.00 -30.00 67.59 64.80 63.14 . . 0 "[ . 1 . 2]" 138 CHI1 1 36 THR N 1 36 THR CA 1 36 THR CB 1 36 THR OG1 150.00 90.00 67.59 64.80 63.14 . . 0 "[ . 1 . 2]" 139 CHI1 1 38 GLU N 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG -90.00 -150.00 -124.97 58.70 -64.27 . . 0 "[ . 1 . 2]" 140 CHI1 1 38 GLU N 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 30.00 -30.00 -124.97 58.70 -64.27 . . 0 "[ . 1 . 2]" 141 CHI1 1 38 GLU N 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 150.00 90.00 -124.97 58.70 -64.27 . . 0 "[ . 1 . 2]" 142 CHI2 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 1 38 GLU CD -90.00 -150.00 -136.08 60.44 -57.06 0.29 16 0 "[ . 1 . 2]" 143 CHI2 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 1 38 GLU CD 30.00 -30.00 -136.08 60.44 -57.06 . . 0 "[ . 1 . 2]" 144 CHI2 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 1 38 GLU CD 150.00 90.00 -136.08 60.44 -57.06 . . 0 "[ . 1 . 2]" 145 CHI1 1 39 LYS N 1 39 LYS CA 1 39 LYS CB 1 39 LYS CG -90.00 -150.00 43.13 55.04 -65.40 . . 0 "[ . 1 . 2]" 146 CHI1 1 39 LYS N 1 39 LYS CA 1 39 LYS CB 1 39 LYS CG 30.00 -30.00 43.13 55.04 -65.40 . . 0 "[ . 1 . 2]" 147 CHI1 1 39 LYS N 1 39 LYS CA 1 39 LYS CB 1 39 LYS CG 150.00 90.00 43.13 55.04 -65.40 . . 0 "[ . 1 . 2]" 148 CHI2 1 39 LYS CA 1 39 LYS CB 1 39 LYS CG 1 39 LYS CD -90.00 -150.00 147.11 163.42 90.01 . . 0 "[ . 1 . 2]" 149 CHI2 1 39 LYS CA 1 39 LYS CB 1 39 LYS CG 1 39 LYS CD 30.00 -30.00 147.11 163.42 90.01 . . 0 "[ . 1 . 2]" 150 CHI2 1 39 LYS CA 1 39 LYS CB 1 39 LYS CG 1 39 LYS CD 150.00 90.00 147.11 163.42 90.01 0.01 12 0 "[ . 1 . 2]" 151 CHI3 1 39 LYS CB 1 39 LYS CG 1 39 LYS CD 1 39 LYS CE -90.00 -150.00 176.40 150.22 89.46 . . 0 "[ . 1 . 2]" 152 CHI3 1 39 LYS CB 1 39 LYS CG 1 39 LYS CD 1 39 LYS CE 30.00 -30.00 176.40 150.22 89.46 . . 0 "[ . 1 . 2]" 153 CHI3 1 39 LYS CB 1 39 LYS CG 1 39 LYS CD 1 39 LYS CE 150.00 90.00 176.40 150.22 89.46 . . 0 "[ . 1 . 2]" 154 CHI4 1 39 LYS CG 1 39 LYS CD 1 39 LYS CE 1 39 LYS NZ -90.00 -150.00 -146.04 64.84 -68.96 . . 0 "[ . 1 . 2]" 155 CHI4 1 39 LYS CG 1 39 LYS CD 1 39 LYS CE 1 39 LYS NZ 30.00 -30.00 -146.04 64.84 -68.96 . . 0 "[ . 1 . 2]" 156 CHI4 1 39 LYS CG 1 39 LYS CD 1 39 LYS CE 1 39 LYS NZ 150.00 90.00 -146.04 64.84 -68.96 . . 0 "[ . 1 . 2]" 157 CHI1 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG -90.00 -150.00 147.45 50.85 -67.38 . . 0 "[ . 1 . 2]" 158 CHI1 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG 30.00 -30.00 147.45 50.85 -67.38 . . 0 "[ . 1 . 2]" 159 CHI1 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG 150.00 90.00 147.45 50.85 -67.38 . . 0 "[ . 1 . 2]" 160 CHI1 1 44 SER N 1 44 SER CA 1 44 SER CB 1 44 SER OG -90.00 -150.00 -101.89 62.87 -51.68 . . 0 "[ . 1 . 2]" 161 CHI1 1 44 SER N 1 44 SER CA 1 44 SER CB 1 44 SER OG 30.00 -30.00 -101.89 62.87 -51.68 . . 0 "[ . 1 . 2]" 162 CHI1 1 44 SER N 1 44 SER CA 1 44 SER CB 1 44 SER OG 150.00 90.00 -101.89 62.87 -51.68 . . 0 "[ . 1 . 2]" 163 CHI1 1 45 SER N 1 45 SER CA 1 45 SER CB 1 45 SER OG -90.00 -150.00 21.09 55.25 55.01 . . 0 "[ . 1 . 2]" 164 CHI1 1 45 SER N 1 45 SER CA 1 45 SER CB 1 45 SER OG 30.00 -30.00 21.09 55.25 55.01 . . 0 "[ . 1 . 2]" 165 CHI1 1 45 SER N 1 45 SER CA 1 45 SER CB 1 45 SER OG 150.00 90.00 21.09 55.25 55.01 . . 0 "[ . 1 . 2]" stop_ save_
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