NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
525941 | 2l45 | 17229 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l45 save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 171 _TA_constraint_stats_list.Viol_count 377 _TA_constraint_stats_list.Viol_total 92412.51 _TA_constraint_stats_list.Viol_max 29.99 _TA_constraint_stats_list.Viol_rms 5.10 _TA_constraint_stats_list.Viol_average_all_restraints 1.50 _TA_constraint_stats_list.Viol_average_violations_only 12.90 _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 1 LYS N 1 1 LYS CA 1 1 LYS CB 1 1 LYS CG -90.00 -150.00 -51.07 -66.99 -77.39 4.17 11 0 "[ . 1 . ]" 2 CHI1 1 1 LYS N 1 1 LYS CA 1 1 LYS CB 1 1 LYS CG 30.00 -30.00 -51.07 -66.99 -77.39 . . 0 "[ . 1 . ]" 3 CHI1 1 1 LYS N 1 1 LYS CA 1 1 LYS CB 1 1 LYS CG 150.00 90.00 -51.07 -66.99 -77.39 . . 0 "[ . 1 . ]" 4 CHI2 1 1 LYS CA 1 1 LYS CB 1 1 LYS CG 1 1 LYS CD -90.00 -150.00 177.44 161.98 98.58 7.24 14 1 "[ . 1 +. ]" 5 CHI2 1 1 LYS CA 1 1 LYS CB 1 1 LYS CG 1 1 LYS CD 30.00 -30.00 177.44 161.98 98.58 . . 0 "[ . 1 . ]" 6 CHI2 1 1 LYS CA 1 1 LYS CB 1 1 LYS CG 1 1 LYS CD 150.00 90.00 177.44 161.98 98.58 8.58 12 1 "[ . 1 + . ]" 7 CHI3 1 1 LYS CB 1 1 LYS CG 1 1 LYS CD 1 1 LYS CE -90.00 -150.00 -151.54 -178.24 176.45 6.57 11 1 "[ . 1+ . ]" 8 CHI3 1 1 LYS CB 1 1 LYS CG 1 1 LYS CD 1 1 LYS CE 30.00 -30.00 -151.54 -178.24 176.45 . . 0 "[ . 1 . ]" 9 CHI3 1 1 LYS CB 1 1 LYS CG 1 1 LYS CD 1 1 LYS CE 150.00 90.00 -151.54 -178.24 176.45 8.37 4 1 "[ +. 1 . ]" 10 CHI4 1 1 LYS CG 1 1 LYS CD 1 1 LYS CE 1 1 LYS NZ -90.00 -150.00 162.35 -76.36 -82.84 . . 0 "[ . 1 . ]" 11 CHI4 1 1 LYS CG 1 1 LYS CD 1 1 LYS CE 1 1 LYS NZ 30.00 -30.00 162.35 -76.36 -82.84 . . 0 "[ . 1 . ]" 12 CHI4 1 1 LYS CG 1 1 LYS CD 1 1 LYS CE 1 1 LYS NZ 150.00 90.00 162.35 -76.36 -82.84 . . 0 "[ . 1 . ]" 13 CHI1 1 4 TRP N 1 4 TRP CA 1 4 TRP CB 1 4 TRP CG -90.00 -150.00 152.44 157.30 156.51 . . 0 "[ . 1 . ]" 14 CHI1 1 4 TRP N 1 4 TRP CA 1 4 TRP CB 1 4 TRP CG 30.00 -30.00 152.44 157.30 156.51 . . 0 "[ . 1 . ]" 15 CHI1 1 4 TRP N 1 4 TRP CA 1 4 TRP CB 1 4 TRP CG 150.00 90.00 152.44 157.30 156.51 3.01 9 0 "[ . 1 . ]" 16 CHI1 1 5 LYS N 1 5 LYS CA 1 5 LYS CB 1 5 LYS CG -90.00 -150.00 77.29 82.70 79.72 . . 0 "[ . 1 . ]" 17 CHI1 1 5 LYS N 1 5 LYS CA 1 5 LYS CB 1 5 LYS CG 30.00 -30.00 77.29 82.70 79.72 . . 0 "[ . 1 . ]" 18 CHI1 1 5 LYS N 1 5 LYS CA 1 5 LYS CB 1 5 LYS CG 150.00 90.00 77.29 82.70 79.72 0.13 12 0 "[ . 1 . ]" 19 CHI2 1 5 LYS CA 1 5 LYS CB 1 5 LYS CG 1 5 LYS CD -90.00 -150.00 88.30 88.49 88.06 . . 0 "[ . 1 . ]" 20 CHI2 1 5 LYS CA 1 5 LYS CB 1 5 LYS CG 1 5 LYS CD 30.00 -30.00 88.30 88.49 88.06 . . 0 "[ . 1 . ]" 21 CHI2 1 5 LYS CA 1 5 LYS CB 1 5 LYS CG 1 5 LYS CD 150.00 90.00 88.30 88.49 88.06 6.42 7 1 "[ . + 1 . ]" 22 CHI3 1 5 LYS CB 1 5 LYS CG 1 5 LYS CD 1 5 LYS CE -90.00 -150.00 72.17 72.61 71.56 . . 0 "[ . 1 . ]" 23 CHI3 1 5 LYS CB 1 5 LYS CG 1 5 LYS CD 1 5 LYS CE 30.00 -30.00 72.17 72.61 71.56 . . 0 "[ . 1 . ]" 24 CHI3 1 5 LYS CB 1 5 LYS CG 1 5 LYS CD 1 5 LYS CE 150.00 90.00 72.17 72.61 71.56 . . 0 "[ . 1 . ]" 25 CHI4 1 5 LYS CG 1 5 LYS CD 1 5 LYS CE 1 5 LYS NZ -90.00 -150.00 -156.44 -98.32 -105.96 23.52 5 6 "[** *+ 1 * .- ]" 26 CHI4 1 5 LYS CG 1 5 LYS CD 1 5 LYS CE 1 5 LYS NZ 30.00 -30.00 -156.44 -98.32 -105.96 . . 0 "[ . 1 . ]" 27 CHI4 1 5 LYS CG 1 5 LYS CD 1 5 LYS CE 1 5 LYS NZ 150.00 90.00 -156.44 -98.32 -105.96 26.55 17 1 "[ . 1 . + ]" 28 CHI1 1 6 CYS N 1 6 CYS CA 1 6 CYS CB 1 6 CYS SG -90.00 -150.00 -45.33 -47.39 -49.36 . . 0 "[ . 1 . ]" 29 CHI1 1 6 CYS N 1 6 CYS CA 1 6 CYS CB 1 6 CYS SG 30.00 -30.00 -45.33 -47.39 -49.36 . . 0 "[ . 1 . ]" 30 CHI1 1 6 CYS N 1 6 CYS CA 1 6 CYS CB 1 6 CYS SG 150.00 90.00 -45.33 -47.39 -49.36 . . 0 "[ . 1 . ]" 31 CHI1 1 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG -90.00 -150.00 -44.92 -50.67 -37.80 . . 0 "[ . 1 . ]" 32 CHI1 1 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 30.00 -30.00 -44.92 -50.67 -37.80 . . 0 "[ . 1 . ]" 33 CHI1 1 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 150.00 90.00 -44.92 -50.67 -37.80 . . 0 "[ . 1 . ]" 34 CHI2 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD -90.00 -150.00 -179.14 -175.54 -177.16 . . 0 "[ . 1 . ]" 35 CHI2 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 30.00 -30.00 -179.14 -175.54 -177.16 . . 0 "[ . 1 . ]" 36 CHI2 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 150.00 90.00 -179.14 -175.54 -177.16 . . 0 "[ . 1 . ]" 37 CHI3 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE -90.00 -150.00 -85.34 -86.62 -87.14 . . 0 "[ . 1 . ]" 38 CHI3 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 30.00 -30.00 -85.34 -86.62 -87.14 . . 0 "[ . 1 . ]" 39 CHI3 1 8 LYS CB 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 150.00 90.00 -85.34 -86.62 -87.14 . . 0 "[ . 1 . ]" 40 CHI4 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 1 8 LYS NZ -90.00 -150.00 57.96 44.21 66.58 . . 0 "[ . 1 . ]" 41 CHI4 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 1 8 LYS NZ 30.00 -30.00 57.96 44.21 66.58 . . 0 "[ . 1 . ]" 42 CHI4 1 8 LYS CG 1 8 LYS CD 1 8 LYS CE 1 8 LYS NZ 150.00 90.00 57.96 44.21 66.58 . . 0 "[ . 1 . ]" 43 CHI1 1 9 GLU N 1 9 GLU CA 1 9 GLU CB 1 9 GLU CG -90.00 -150.00 -62.80 -69.84 -74.96 . . 0 "[ . 1 . ]" 44 CHI1 1 9 GLU N 1 9 GLU CA 1 9 GLU CB 1 9 GLU CG 30.00 -30.00 -62.80 -69.84 -74.96 . . 0 "[ . 1 . ]" 45 CHI1 1 9 GLU N 1 9 GLU CA 1 9 GLU CB 1 9 GLU CG 150.00 90.00 -62.80 -69.84 -74.96 . . 0 "[ . 1 . ]" 46 CHI2 1 9 GLU CA 1 9 GLU CB 1 9 GLU CG 1 9 GLU CD -90.00 -150.00 179.06 154.01 -156.73 . . 0 "[ . 1 . ]" 47 CHI2 1 9 GLU CA 1 9 GLU CB 1 9 GLU CG 1 9 GLU CD 30.00 -30.00 179.06 154.01 -156.73 . . 0 "[ . 1 . ]" 48 CHI2 1 9 GLU CA 1 9 GLU CB 1 9 GLU CG 1 9 GLU CD 150.00 90.00 179.06 154.01 -156.73 . . 0 "[ . 1 . ]" 49 CHI1 1 11 HIS N 1 11 HIS CA 1 11 HIS CB 1 11 HIS CG -90.00 -150.00 47.62 46.65 45.51 . . 0 "[ . 1 . ]" 50 CHI1 1 11 HIS N 1 11 HIS CA 1 11 HIS CB 1 11 HIS CG 30.00 -30.00 47.62 46.65 45.51 . . 0 "[ . 1 . ]" 51 CHI1 1 11 HIS N 1 11 HIS CA 1 11 HIS CB 1 11 HIS CG 150.00 90.00 47.62 46.65 45.51 . . 0 "[ . 1 . ]" 52 CHI1 1 12 GLN N 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG -90.00 -150.00 -135.52 -176.84 -99.50 27.08 2 11 "[*+**.*** - * .* *]" 53 CHI1 1 12 GLN N 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG 30.00 -30.00 -135.52 -176.84 -99.50 . . 0 "[ . 1 . ]" 54 CHI1 1 12 GLN N 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG 150.00 90.00 -135.52 -176.84 -99.50 . . 0 "[ . 1 . ]" 55 CHI2 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG 1 12 GLN CD -90.00 -150.00 160.30 66.64 -165.95 . . 0 "[ . 1 . ]" 56 CHI2 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG 1 12 GLN CD 30.00 -30.00 160.30 66.64 -165.95 . . 0 "[ . 1 . ]" 57 CHI2 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG 1 12 GLN CD 150.00 90.00 160.30 66.64 -165.95 23.35 18 3 "[ . 1 * -+ ]" 58 CHI1 1 13 MET N 1 13 MET CA 1 13 MET CB 1 13 MET CG -90.00 -150.00 -52.76 -37.46 -42.24 . . 0 "[ . 1 . ]" 59 CHI1 1 13 MET N 1 13 MET CA 1 13 MET CB 1 13 MET CG 30.00 -30.00 -52.76 -37.46 -42.24 . . 0 "[ . 1 . ]" 60 CHI1 1 13 MET N 1 13 MET CA 1 13 MET CB 1 13 MET CG 150.00 90.00 -52.76 -37.46 -42.24 . . 0 "[ . 1 . ]" 61 CHI2 1 13 MET CA 1 13 MET CB 1 13 MET CG 1 13 MET SD -90.00 -150.00 131.71 84.80 -163.83 . . 0 "[ . 1 . ]" 62 CHI2 1 13 MET CA 1 13 MET CB 1 13 MET CG 1 13 MET SD 30.00 -30.00 131.71 84.80 -163.83 . . 0 "[ . 1 . ]" 63 CHI2 1 13 MET CA 1 13 MET CB 1 13 MET CG 1 13 MET SD 150.00 90.00 131.71 84.80 -163.83 28.39 16 9 "[* * -*** *.+* ]" 64 CHI1 1 14 LYS N 1 14 LYS CA 1 14 LYS CB 1 14 LYS CG -90.00 -150.00 -73.10 -88.23 48.95 . . 0 "[ . 1 . ]" 65 CHI1 1 14 LYS N 1 14 LYS CA 1 14 LYS CB 1 14 LYS CG 30.00 -30.00 -73.10 -88.23 48.95 . . 0 "[ . 1 . ]" 66 CHI1 1 14 LYS N 1 14 LYS CA 1 14 LYS CB 1 14 LYS CG 150.00 90.00 -73.10 -88.23 48.95 . . 0 "[ . 1 . ]" 67 CHI2 1 14 LYS CA 1 14 LYS CB 1 14 LYS CG 1 14 LYS CD -90.00 -150.00 -168.12 142.63 -40.95 11.51 11 1 "[ . 1+ . ]" 68 CHI2 1 14 LYS CA 1 14 LYS CB 1 14 LYS CG 1 14 LYS CD 30.00 -30.00 -168.12 142.63 -40.95 . . 0 "[ . 1 . ]" 69 CHI2 1 14 LYS CA 1 14 LYS CB 1 14 LYS CG 1 14 LYS CD 150.00 90.00 -168.12 142.63 -40.95 7.37 9 1 "[ . +1 . ]" 70 CHI3 1 14 LYS CB 1 14 LYS CG 1 14 LYS CD 1 14 LYS CE -90.00 -150.00 -131.87 -115.11 -118.94 29.02 1 7 "[+*-*.* * * . ]" 71 CHI3 1 14 LYS CB 1 14 LYS CG 1 14 LYS CD 1 14 LYS CE 30.00 -30.00 -131.87 -115.11 -118.94 . . 0 "[ . 1 . ]" 72 CHI3 1 14 LYS CB 1 14 LYS CG 1 14 LYS CD 1 14 LYS CE 150.00 90.00 -131.87 -115.11 -118.94 2.99 7 0 "[ . 1 . ]" 73 CHI4 1 14 LYS CG 1 14 LYS CD 1 14 LYS CE 1 14 LYS NZ -90.00 -150.00 -14.55 51.51 48.96 . . 0 "[ . 1 . ]" 74 CHI4 1 14 LYS CG 1 14 LYS CD 1 14 LYS CE 1 14 LYS NZ 30.00 -30.00 -14.55 51.51 48.96 . . 0 "[ . 1 . ]" 75 CHI4 1 14 LYS CG 1 14 LYS CD 1 14 LYS CE 1 14 LYS NZ 150.00 90.00 -14.55 51.51 48.96 12.54 14 1 "[ . 1 +. ]" 76 CHI1 1 15 ASP N 1 15 ASP CA 1 15 ASP CB 1 15 ASP CG -90.00 -150.00 -102.85 -122.38 -94.52 27.62 11 17 "[*** *****1+-*******]" 77 CHI1 1 15 ASP N 1 15 ASP CA 1 15 ASP CB 1 15 ASP CG 30.00 -30.00 -102.85 -122.38 -94.52 . . 0 "[ . 1 . ]" 78 CHI1 1 15 ASP N 1 15 ASP CA 1 15 ASP CB 1 15 ASP CG 150.00 90.00 -102.85 -122.38 -94.52 . . 0 "[ . 1 . ]" 79 CHI1 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG -90.00 -150.00 -169.21 178.41 -161.46 . . 0 "[ . 1 . ]" 80 CHI1 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG 30.00 -30.00 -169.21 178.41 -161.46 . . 0 "[ . 1 . ]" 81 CHI1 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG 150.00 90.00 -169.21 178.41 -161.46 . . 0 "[ . 1 . ]" 82 CHI1 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 -90.00 -150.00 122.15 168.46 95.06 . . 0 "[ . 1 . ]" 83 CHI1 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 30.00 -30.00 122.15 168.46 95.06 . . 0 "[ . 1 . ]" 84 CHI1 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 150.00 90.00 122.15 168.46 95.06 5.06 7 1 "[ . + 1 . ]" 85 CHI1 1 18 GLU N 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG -90.00 -150.00 -66.15 -68.10 -70.12 . . 0 "[ . 1 . ]" 86 CHI1 1 18 GLU N 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 30.00 -30.00 -66.15 -68.10 -70.12 . . 0 "[ . 1 . ]" 87 CHI1 1 18 GLU N 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 150.00 90.00 -66.15 -68.10 -70.12 . . 0 "[ . 1 . ]" 88 CHI2 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 1 18 GLU CD -90.00 -150.00 -78.88 -62.78 -64.75 23.54 17 4 "[ .* * 1- . + ]" 89 CHI2 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 1 18 GLU CD 30.00 -30.00 -78.88 -62.78 -64.75 . . 0 "[ . 1 . ]" 90 CHI2 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 1 18 GLU CD 150.00 90.00 -78.88 -62.78 -64.75 . . 0 "[ . 1 . ]" 91 CHI1 1 19 ARG N 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG -90.00 -150.00 -179.81 -54.18 -154.69 . . 0 "[ . 1 . ]" 92 CHI1 1 19 ARG N 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG 30.00 -30.00 -179.81 -54.18 -154.69 . . 0 "[ . 1 . ]" 93 CHI1 1 19 ARG N 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG 150.00 90.00 -179.81 -54.18 -154.69 22.31 8 1 "[ . + 1 . ]" 94 CHI2 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG 1 19 ARG CD -90.00 -150.00 -170.39 140.00 -114.78 27.80 6 5 "[* .+ -1 . **]" 95 CHI2 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG 1 19 ARG CD 30.00 -30.00 -170.39 140.00 -114.78 . . 0 "[ . 1 . ]" 96 CHI2 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG 1 19 ARG CD 150.00 90.00 -170.39 140.00 -114.78 10.00 15 1 "[ . 1 + ]" 97 CHI3 1 19 ARG CB 1 19 ARG CG 1 19 ARG CD 1 19 ARG NE -90.00 -150.00 157.68 55.08 -57.62 18.87 3 4 "[ +-. 1 * . * ]" 98 CHI3 1 19 ARG CB 1 19 ARG CG 1 19 ARG CD 1 19 ARG NE 30.00 -30.00 157.68 55.08 -57.62 . . 0 "[ . 1 . ]" 99 CHI3 1 19 ARG CB 1 19 ARG CG 1 19 ARG CD 1 19 ARG NE 150.00 90.00 157.68 55.08 -57.62 29.29 7 4 "[ . + ** - . ]" 100 GAMMA 2 1 DT O5' 2 1 DT C5' 2 1 DT C4' 2 1 DT C3' -90.00 -150.00 58.60 45.14 74.89 . . 0 "[ . 1 . ]" 101 GAMMA 2 1 DT O5' 2 1 DT C5' 2 1 DT C4' 2 1 DT C3' 30.00 -30.00 58.60 45.14 74.89 . . 0 "[ . 1 . ]" 102 GAMMA 2 1 DT O5' 2 1 DT C5' 2 1 DT C4' 2 1 DT C3' 150.00 90.00 58.60 45.14 74.89 . . 0 "[ . 1 . ]" 103 DELTA 2 1 DT C5' 2 1 DT C4' 2 1 DT C3' 2 1 DT O3' -90.00 -150.00 121.49 113.13 135.12 . . 0 "[ . 1 . ]" 104 DELTA 2 1 DT C5' 2 1 DT C4' 2 1 DT C3' 2 1 DT O3' 30.00 -30.00 121.49 113.13 135.12 . . 0 "[ . 1 . ]" 105 DELTA 2 1 DT C5' 2 1 DT C4' 2 1 DT C3' 2 1 DT O3' 150.00 90.00 121.49 113.13 135.12 29.83 16 19 [-**************+***] 106 NU2 2 1 DT C4' 2 1 DT C3' 2 1 DT C2' 2 1 DT C1' -90.00 -150.00 -25.78 -26.02 -28.03 . . 0 "[ . 1 . ]" 107 NU2 2 1 DT C4' 2 1 DT C3' 2 1 DT C2' 2 1 DT C1' 30.00 -30.00 -25.78 -26.02 -28.03 11.74 8 10 "[ * * *+** **-* ]" 108 NU2 2 1 DT C4' 2 1 DT C3' 2 1 DT C2' 2 1 DT C1' 150.00 90.00 -25.78 -26.02 -28.03 . . 0 "[ . 1 . ]" 109 NU1 2 1 DT C3' 2 1 DT C2' 2 1 DT C1' 2 1 DT O4' -90.00 -150.00 39.84 27.95 45.96 . . 0 "[ . 1 . ]" 110 NU1 2 1 DT C3' 2 1 DT C2' 2 1 DT C1' 2 1 DT O4' 30.00 -30.00 39.84 27.95 45.96 2.05 8 0 "[ . 1 . ]" 111 NU1 2 1 DT C3' 2 1 DT C2' 2 1 DT C1' 2 1 DT O4' 150.00 90.00 39.84 27.95 45.96 . . 0 "[ . 1 . ]" 112 GAMMA 2 2 DA O5' 2 2 DA C5' 2 2 DA C4' 2 2 DA C3' -90.00 -150.00 51.05 54.17 48.52 . . 0 "[ . 1 . ]" 113 GAMMA 2 2 DA O5' 2 2 DA C5' 2 2 DA C4' 2 2 DA C3' 30.00 -30.00 51.05 54.17 48.52 . . 0 "[ . 1 . ]" 114 GAMMA 2 2 DA O5' 2 2 DA C5' 2 2 DA C4' 2 2 DA C3' 150.00 90.00 51.05 54.17 48.52 . . 0 "[ . 1 . ]" 115 DELTA 2 2 DA C5' 2 2 DA C4' 2 2 DA C3' 2 2 DA O3' -90.00 -150.00 100.48 97.59 96.15 . . 0 "[ . 1 . ]" 116 DELTA 2 2 DA C5' 2 2 DA C4' 2 2 DA C3' 2 2 DA O3' 30.00 -30.00 100.48 97.59 96.15 . . 0 "[ . 1 . ]" 117 DELTA 2 2 DA C5' 2 2 DA C4' 2 2 DA C3' 2 2 DA O3' 150.00 90.00 100.48 97.59 96.15 27.00 12 14 "[ ****** 1*+****- *]" 118 NU2 2 2 DA C4' 2 2 DA C3' 2 2 DA C2' 2 2 DA C1' -90.00 -150.00 22.92 1.01 34.09 . . 0 "[ . 1 . ]" 119 NU2 2 2 DA C4' 2 2 DA C3' 2 2 DA C2' 2 2 DA C1' 30.00 -30.00 22.92 1.01 34.09 28.99 18 11 "[ *** 1 ******+-]" 120 NU2 2 2 DA C4' 2 2 DA C3' 2 2 DA C2' 2 2 DA C1' 150.00 90.00 22.92 1.01 34.09 . . 0 "[ . 1 . ]" 121 NU1 2 2 DA C3' 2 2 DA C2' 2 2 DA C1' 2 2 DA O4' -90.00 -150.00 -26.99 -35.86 20.74 . . 0 "[ . 1 . ]" 122 NU1 2 2 DA C3' 2 2 DA C2' 2 2 DA C1' 2 2 DA O4' 30.00 -30.00 -26.99 -35.86 20.74 21.19 12 2 "[ . 1 + . - ]" 123 NU1 2 2 DA C3' 2 2 DA C2' 2 2 DA C1' 2 2 DA O4' 150.00 90.00 -26.99 -35.86 20.74 . . 0 "[ . 1 . ]" 124 GAMMA 2 3 DC O5' 2 3 DC C5' 2 3 DC C4' 2 3 DC C3' -90.00 -150.00 25.59 21.52 17.91 . . 0 "[ . 1 . ]" 125 GAMMA 2 3 DC O5' 2 3 DC C5' 2 3 DC C4' 2 3 DC C3' 30.00 -30.00 25.59 21.52 17.91 29.99 8 10 "[*- ****+ 1 **. *]" 126 GAMMA 2 3 DC O5' 2 3 DC C5' 2 3 DC C4' 2 3 DC C3' 150.00 90.00 25.59 21.52 17.91 . . 0 "[ . 1 . ]" 127 DELTA 2 3 DC C5' 2 3 DC C4' 2 3 DC C3' 2 3 DC O3' -90.00 -150.00 130.99 104.96 155.35 . . 0 "[ . 1 . ]" 128 DELTA 2 3 DC C5' 2 3 DC C4' 2 3 DC C3' 2 3 DC O3' 30.00 -30.00 130.99 104.96 155.35 . . 0 "[ . 1 . ]" 129 DELTA 2 3 DC C5' 2 3 DC C4' 2 3 DC C3' 2 3 DC O3' 150.00 90.00 130.99 104.96 155.35 29.41 11 14 "[-** . ***+* ******]" 130 NU2 2 3 DC C4' 2 3 DC C3' 2 3 DC C2' 2 3 DC C1' -90.00 -150.00 1.01 -1.25 -6.48 . . 0 "[ . 1 . ]" 131 NU2 2 3 DC C4' 2 3 DC C3' 2 3 DC C2' 2 3 DC C1' 30.00 -30.00 1.01 -1.25 -6.48 29.33 2 19 [*+-****************] 132 NU2 2 3 DC C4' 2 3 DC C3' 2 3 DC C2' 2 3 DC C1' 150.00 90.00 1.01 -1.25 -6.48 . . 0 "[ . 1 . ]" 133 NU1 2 3 DC C3' 2 3 DC C2' 2 3 DC C1' 2 3 DC O4' -90.00 -150.00 -19.39 -39.05 -2.56 . . 0 "[ . 1 . ]" 134 NU1 2 3 DC C3' 2 3 DC C2' 2 3 DC C1' 2 3 DC O4' 30.00 -30.00 -19.39 -39.05 -2.56 27.44 4 11 "[*- +**** 1 **. **]" 135 NU1 2 3 DC C3' 2 3 DC C2' 2 3 DC C1' 2 3 DC O4' 150.00 90.00 -19.39 -39.05 -2.56 . . 0 "[ . 1 . ]" 136 GAMMA 2 4 DG O5' 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' -90.00 -150.00 89.98 78.70 102.69 . . 0 "[ . 1 . ]" 137 GAMMA 2 4 DG O5' 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' 30.00 -30.00 89.98 78.70 102.69 . . 0 "[ . 1 . ]" 138 GAMMA 2 4 DG O5' 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' 150.00 90.00 89.98 78.70 102.69 12.69 15 6 "[- * . * 1 *+ * ]" 139 DELTA 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' 2 4 DG O3' -90.00 -150.00 93.27 95.81 94.37 . . 0 "[ . 1 . ]" 140 DELTA 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' 2 4 DG O3' 30.00 -30.00 93.27 95.81 94.37 . . 0 "[ . 1 . ]" 141 DELTA 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' 2 4 DG O3' 150.00 90.00 93.27 95.81 94.37 14.57 11 6 "[ * . * 1+ ** -]" 142 NU2 2 4 DG C4' 2 4 DG C3' 2 4 DG C2' 2 4 DG C1' -90.00 -150.00 23.19 16.26 13.70 . . 0 "[ . 1 . ]" 143 NU2 2 4 DG C4' 2 4 DG C3' 2 4 DG C2' 2 4 DG C1' 30.00 -30.00 23.19 16.26 13.70 16.46 11 11 "[**- . ** *+ ** **]" 144 NU2 2 4 DG C4' 2 4 DG C3' 2 4 DG C2' 2 4 DG C1' 150.00 90.00 23.19 16.26 13.70 . . 0 "[ . 1 . ]" 145 NU1 2 4 DG C3' 2 4 DG C2' 2 4 DG C1' 2 4 DG O4' -90.00 -150.00 -12.31 -18.85 -1.96 . . 0 "[ . 1 . ]" 146 NU1 2 4 DG C3' 2 4 DG C2' 2 4 DG C1' 2 4 DG O4' 30.00 -30.00 -12.31 -18.85 -1.96 28.04 1 19 [+**-***************] 147 NU1 2 4 DG C3' 2 4 DG C2' 2 4 DG C1' 2 4 DG O4' 150.00 90.00 -12.31 -18.85 -1.96 . . 0 "[ . 1 . ]" 148 GAMMA 2 5 DC O5' 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' -90.00 -150.00 85.29 -46.60 138.90 . . 0 "[ . 1 . ]" 149 GAMMA 2 5 DC O5' 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' 30.00 -30.00 85.29 -46.60 138.90 14.20 9 1 "[ . +1 . ]" 150 GAMMA 2 5 DC O5' 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' 150.00 90.00 85.29 -46.60 138.90 28.86 10 11 "[ *** ** +** **- ]" 151 DELTA 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' 2 5 DC O3' -90.00 -150.00 92.41 74.81 144.76 . . 0 "[ . 1 . ]" 152 DELTA 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' 2 5 DC O3' 30.00 -30.00 92.41 74.81 144.76 . . 0 "[ . 1 . ]" 153 DELTA 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' 2 5 DC O3' 150.00 90.00 92.41 74.81 144.76 24.13 18 5 "[** . *1 . -+ ]" 154 NU2 2 5 DC C4' 2 5 DC C3' 2 5 DC C2' 2 5 DC C1' -90.00 -150.00 26.75 -45.88 45.20 . . 0 "[ . 1 . ]" 155 NU2 2 5 DC C4' 2 5 DC C3' 2 5 DC C2' 2 5 DC C1' 30.00 -30.00 26.75 -45.88 45.20 1.15 13 0 "[ . 1 . ]" 156 NU2 2 5 DC C4' 2 5 DC C3' 2 5 DC C2' 2 5 DC C1' 150.00 90.00 26.75 -45.88 45.20 . . 0 "[ . 1 . ]" 157 NU1 2 5 DC C3' 2 5 DC C2' 2 5 DC C1' 2 5 DC O4' -90.00 -150.00 -18.48 52.31 51.20 . . 0 "[ . 1 . ]" 158 NU1 2 5 DC C3' 2 5 DC C2' 2 5 DC C1' 2 5 DC O4' 30.00 -30.00 -18.48 52.31 51.20 27.31 13 3 "[ .* 1 + . -]" 159 NU1 2 5 DC C3' 2 5 DC C2' 2 5 DC C1' 2 5 DC O4' 150.00 90.00 -18.48 52.31 51.20 . . 0 "[ . 1 . ]" 160 GAMMA 2 6 DC O5' 2 6 DC C5' 2 6 DC C4' 2 6 DC C3' -90.00 -150.00 56.72 36.63 68.58 . . 0 "[ . 1 . ]" 161 GAMMA 2 6 DC O5' 2 6 DC C5' 2 6 DC C4' 2 6 DC C3' 30.00 -30.00 56.72 36.63 68.58 . . 0 "[ . 1 . ]" 162 GAMMA 2 6 DC O5' 2 6 DC C5' 2 6 DC C4' 2 6 DC C3' 150.00 90.00 56.72 36.63 68.58 . . 0 "[ . 1 . ]" 163 DELTA 2 6 DC C5' 2 6 DC C4' 2 6 DC C3' 2 6 DC O3' -90.00 -150.00 107.35 76.04 127.72 . . 0 "[ . 1 . ]" 164 DELTA 2 6 DC C5' 2 6 DC C4' 2 6 DC C3' 2 6 DC O3' 30.00 -30.00 107.35 76.04 127.72 . . 0 "[ . 1 . ]" 165 DELTA 2 6 DC C5' 2 6 DC C4' 2 6 DC C3' 2 6 DC O3' 150.00 90.00 107.35 76.04 127.72 28.50 12 14 "[** ** ****+**.*- *]" 166 NU2 2 6 DC C4' 2 6 DC C3' 2 6 DC C2' 2 6 DC C1' -90.00 -150.00 -8.32 -24.56 -27.43 . . 0 "[ . 1 . ]" 167 NU2 2 6 DC C4' 2 6 DC C3' 2 6 DC C2' 2 6 DC C1' 30.00 -30.00 -8.32 -24.56 -27.43 27.45 17 12 "[ ***- ***** .*+ *]" 168 NU2 2 6 DC C4' 2 6 DC C3' 2 6 DC C2' 2 6 DC C1' 150.00 90.00 -8.32 -24.56 -27.43 . . 0 "[ . 1 . ]" 169 NU1 2 6 DC C3' 2 6 DC C2' 2 6 DC C1' 2 6 DC O4' -90.00 -150.00 25.68 -17.28 46.10 . . 0 "[ . 1 . ]" 170 NU1 2 6 DC C3' 2 6 DC C2' 2 6 DC C1' 2 6 DC O4' 30.00 -30.00 25.68 -17.28 46.10 29.53 3 6 "[ + .** 1 * -* ]" 171 NU1 2 6 DC C3' 2 6 DC C2' 2 6 DC C1' 2 6 DC O4' 150.00 90.00 25.68 -17.28 46.10 . . 0 "[ . 1 . ]" stop_ save_
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