NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
424804 | 2g4a | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2g4a save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 146 _TA_constraint_stats_list.Viol_count 364 _TA_constraint_stats_list.Viol_total 2325.96 _TA_constraint_stats_list.Viol_max 1.31 _TA_constraint_stats_list.Viol_rms 0.12 _TA_constraint_stats_list.Viol_average_all_restraints 0.04 _TA_constraint_stats_list.Viol_average_violations_only 0.30 _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 1 GLU C 1 2 GLN N 1 2 GLN CA 1 2 GLN C -100.00 -20.00 -74.65 -97.83 -60.88 . . 0 "[ . 1 . 2 ]" 2 . 1 2 GLN N 1 2 GLN CA 1 2 GLN C 1 3 LEU N -100.00 0.00 -33.89 -49.11 -23.46 . . 0 "[ . 1 . 2 ]" 3 . 1 2 GLN C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -69.53 -56.79 -58.67 -67.07 -56.28 0.51 21 0 "[ . 1 . 2 ]" 4 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 LYS N -42.65 -22.35 -38.70 -43.25 -32.71 0.60 7 0 "[ . 1 . 2 ]" 5 . 1 3 LEU C 1 4 LYS N 1 4 LYS CA 1 4 LYS C -70.58 -60.12 -61.96 -61.23 -62.41 0.43 4 0 "[ . 1 . 2 ]" 6 . 1 4 LYS N 1 4 LYS CA 1 4 LYS C 1 5 HIS N -47.04 -33.52 -41.72 -36.65 -39.77 0.11 18 0 "[ . 1 . 2 ]" 7 . 1 4 LYS C 1 5 HIS N 1 5 HIS CA 1 5 HIS C -70.05 -58.95 -62.14 -61.01 -61.61 0.13 7 0 "[ . 1 . 2 ]" 8 . 1 5 HIS N 1 5 HIS CA 1 5 HIS C 1 6 CYS N -45.05 -35.97 -41.27 -45.01 -36.35 . . 0 "[ . 1 . 2 ]" 9 . 1 5 HIS C 1 6 CYS N 1 6 CYS CA 1 6 CYS C -73.39 -55.07 -61.20 -69.35 -57.61 . . 0 "[ . 1 . 2 ]" 10 . 1 6 CYS N 1 6 CYS CA 1 6 CYS C 1 7 ASN N -49.65 -36.75 -39.86 -43.20 -36.71 0.04 16 0 "[ . 1 . 2 ]" 11 . 1 6 CYS C 1 7 ASN N 1 7 ASN CA 1 7 ASN C -74.09 -57.19 -60.06 -58.02 -58.96 0.11 6 0 "[ . 1 . 2 ]" 12 . 1 7 ASN N 1 7 ASN CA 1 7 ASN C 1 8 VAL N -44.26 -23.30 -37.54 -43.36 -33.96 . . 0 "[ . 1 . 2 ]" 13 . 1 7 ASN C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -72.93 -57.85 -62.50 -69.40 -57.79 0.06 9 0 "[ . 1 . 2 ]" 14 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 ILE N -46.56 -23.12 -41.51 -46.51 -36.65 . . 0 "[ . 1 . 2 ]" 15 . 1 8 VAL C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -66.42 -57.92 -63.75 -63.48 -64.01 . . 0 "[ . 1 . 2 ]" 16 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 LEU N -49.49 -28.09 -40.36 -49.76 -34.96 0.27 21 0 "[ . 1 . 2 ]" 17 . 1 9 ILE C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -75.95 -59.21 -62.18 -69.65 -58.92 0.29 16 0 "[ . 1 . 2 ]" 18 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 LYS N -47.86 -27.76 -42.00 -39.99 -40.39 0.21 9 0 "[ . 1 . 2 ]" 19 . 1 10 LEU C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -69.01 -58.51 -60.32 -64.81 -58.46 0.05 11 0 "[ . 1 . 2 ]" 20 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 GLU N -46.74 -28.34 -38.93 -37.47 -38.32 1.31 9 0 "[ . 1 . 2 ]" 21 . 1 11 LYS C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -70.18 -55.80 -65.41 -69.04 -59.08 . . 0 "[ . 1 . 2 ]" 22 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 LEU N -45.44 -27.90 -40.18 -36.38 -37.52 0.12 4 0 "[ . 1 . 2 ]" 23 . 1 12 GLU C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -73.98 -54.86 -65.14 -73.11 -58.79 . . 0 "[ . 1 . 2 ]" 24 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 LEU N -42.14 -16.26 -37.51 -42.39 -32.52 0.25 12 0 "[ . 1 . 2 ]" 25 . 1 13 LEU C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -100.00 -20.00 -89.07 -85.96 -88.18 . . 0 "[ . 1 . 2 ]" 26 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 SER N -100.00 0.00 -14.63 -32.68 0.63 0.63 11 0 "[ . 1 . 2 ]" 27 . 1 14 LEU C 1 15 SER N 1 15 SER CA 1 15 SER C -100.00 -20.00 -61.25 -55.09 -56.67 . . 0 "[ . 1 . 2 ]" 28 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 LYS N -100.00 0.00 -80.28 -77.82 -81.52 0.55 10 0 "[ . 1 . 2 ]" 29 . 1 18 HIS C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -100.00 -20.00 -67.40 -75.48 -53.37 . . 0 "[ . 1 . 2 ]" 30 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 ALA N -100.00 0.00 -33.29 -31.49 -32.54 . . 0 "[ . 1 . 2 ]" 31 . 1 19 ALA C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -100.00 -20.00 -54.38 -51.20 -51.97 . . 0 "[ . 1 . 2 ]" 32 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 TYR N -100.00 0.00 -33.75 -42.11 -26.58 . . 0 "[ . 1 . 2 ]" 33 . 1 20 ALA C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -100.00 -20.00 -99.20 -100.66 -94.87 0.66 15 0 "[ . 1 . 2 ]" 34 . 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 ALA N -100.00 0.00 -8.77 -2.41 -3.88 . . 0 "[ . 1 . 2 ]" 35 . 1 21 TYR C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -100.00 -20.00 -80.46 -84.85 -76.78 . . 0 "[ . 1 . 2 ]" 36 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 TRP N -100.00 0.00 -46.79 -53.40 -35.96 . . 0 "[ . 1 . 2 ]" 37 . 1 22 ALA C 1 23 TRP N 1 23 TRP CA 1 23 TRP C -100.00 -20.00 -63.45 -61.33 -62.56 . . 0 "[ . 1 . 2 ]" 38 . 1 23 TRP N 1 23 TRP CA 1 23 TRP C 1 24 PRO N -100.00 0.00 -36.76 -34.91 -35.42 . . 0 "[ . 1 . 2 ]" 39 . 1 23 TRP C 1 24 PRO N 1 24 PRO CA 1 24 PRO C -100.00 -20.00 -67.77 -70.32 -65.08 . . 0 "[ . 1 . 2 ]" 40 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 PHE N -100.00 0.00 -41.95 -47.18 -35.35 . . 0 "[ . 1 . 2 ]" 41 . 1 24 PRO C 1 25 PHE N 1 25 PHE CA 1 25 PHE C -100.00 -20.00 -89.15 -86.03 -88.63 . . 0 "[ . 1 . 2 ]" 42 . 1 25 PHE N 1 25 PHE CA 1 25 PHE C 1 26 TYR N -100.00 0.00 -0.94 -7.50 0.62 0.62 8 0 "[ . 1 . 2 ]" 43 . 1 38 ASP C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -100.00 -20.00 -62.94 -96.56 -52.21 . . 0 "[ . 1 . 2 ]" 44 . 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 HIS N -100.00 0.00 -41.19 -58.89 -27.70 . . 0 "[ . 1 . 2 ]" 45 . 1 39 TYR C 1 40 HIS N 1 40 HIS CA 1 40 HIS C -100.00 -20.00 -77.41 -79.83 -81.11 . . 0 "[ . 1 . 2 ]" 46 . 1 40 HIS N 1 40 HIS CA 1 40 HIS C 1 41 ASP N -100.00 0.00 -26.88 -5.36 -22.55 . . 0 "[ . 1 . 2 ]" 47 . 1 40 HIS C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -100.00 -20.00 -74.46 -93.47 -63.14 . . 0 "[ . 1 . 2 ]" 48 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 ILE N -100.00 0.00 -46.39 -64.59 -32.81 . . 0 "[ . 1 . 2 ]" 49 . 1 41 ASP C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -100.00 -20.00 -77.76 -94.95 -62.92 . . 0 "[ . 1 . 2 ]" 50 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 ILE N -100.00 0.00 -54.08 -54.46 -55.77 . . 0 "[ . 1 . 2 ]" 51 . 1 42 ILE C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -100.00 -20.00 -75.32 -99.51 -64.75 . . 0 "[ . 1 . 2 ]" 52 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 LYS N -100.00 0.00 -62.80 -73.11 -48.57 . . 0 "[ . 1 . 2 ]" 53 . 1 48 ASP C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -66.57 -53.31 -61.66 -67.01 -55.34 0.44 11 0 "[ . 1 . 2 ]" 54 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 SER N -39.89 -22.65 -34.42 -33.92 -34.79 0.12 10 0 "[ . 1 . 2 ]" 55 . 1 49 LEU C 1 50 SER N 1 50 SER CA 1 50 SER C -69.89 -56.67 -59.34 -63.68 -56.92 . . 0 "[ . 1 . 2 ]" 56 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 THR N -40.28 -23.26 -39.94 -40.95 -36.91 0.67 11 0 "[ . 1 . 2 ]" 57 . 1 50 SER C 1 51 THR N 1 51 THR CA 1 51 THR C -76.32 -60.68 -70.06 -62.69 -65.04 . . 0 "[ . 1 . 2 ]" 58 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 VAL N -40.91 -10.01 -38.24 -41.37 -32.70 0.46 20 0 "[ . 1 . 2 ]" 59 . 1 51 THR C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -78.65 -58.13 -61.69 -59.54 -61.15 0.54 2 0 "[ . 1 . 2 ]" 60 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 LYS N -41.29 -11.27 -39.04 -41.86 -34.87 0.57 9 0 "[ . 1 . 2 ]" 61 . 1 52 VAL C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -70.79 -58.67 -61.06 -61.49 -62.73 0.71 19 0 "[ . 1 . 2 ]" 62 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 ARG N -49.37 -20.69 -42.91 -47.94 -37.43 . . 0 "[ . 1 . 2 ]" 63 . 1 53 LYS C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -68.34 -54.90 -61.73 -61.31 -62.08 . . 0 "[ . 1 . 2 ]" 64 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 LYS N -46.20 -28.84 -37.05 -43.63 -30.12 . . 0 "[ . 1 . 2 ]" 65 . 1 54 ARG C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -72.49 -59.35 -65.90 -72.61 -59.16 0.19 17 0 "[ . 1 . 2 ]" 66 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 MET N -45.64 -34.44 -45.30 -45.23 -45.38 0.53 19 0 "[ . 1 . 2 ]" 67 . 1 55 LYS C 1 56 MET N 1 56 MET CA 1 56 MET C -72.76 -61.84 -65.53 -65.14 -65.42 0.10 14 0 "[ . 1 . 2 ]" 68 . 1 56 MET N 1 56 MET CA 1 56 MET C 1 57 GLU N -47.70 -32.14 -34.39 -37.70 -31.81 0.33 5 0 "[ . 1 . 2 ]" 69 . 1 56 MET C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -71.48 -56.02 -71.56 -72.12 -69.50 0.64 3 0 "[ . 1 . 2 ]" 70 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ASN N -42.96 -22.32 -28.56 -28.24 -28.35 . . 0 "[ . 1 . 2 ]" 71 . 1 57 GLU C 1 58 ASN N 1 58 ASN CA 1 58 ASN C -100.00 -20.00 -99.30 -99.09 -99.37 0.21 15 0 "[ . 1 . 2 ]" 72 . 1 58 ASN N 1 58 ASN CA 1 58 ASN C 1 59 ARG N -100.00 0.00 -1.18 -0.71 -0.77 0.35 3 0 "[ . 1 . 2 ]" 73 . 1 64 ALA C 1 65 GLN N 1 65 GLN CA 1 65 GLN C -69.36 -56.22 -59.27 -65.10 -56.04 0.18 13 0 "[ . 1 . 2 ]" 74 . 1 65 GLN N 1 65 GLN CA 1 65 GLN C 1 66 GLU N -39.61 -23.49 -39.29 -40.34 -36.96 0.73 6 0 "[ . 1 . 2 ]" 75 . 1 65 GLN C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -79.78 -58.20 -65.78 -63.63 -65.87 0.44 4 0 "[ . 1 . 2 ]" 76 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 PHE N -41.65 -19.73 -41.24 -42.61 -37.89 0.96 17 0 "[ . 1 . 2 ]" 77 . 1 66 GLU C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -80.73 -42.61 -65.13 -70.09 -59.22 . . 0 "[ . 1 . 2 ]" 78 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 ALA N -58.26 -9.80 -47.49 -57.41 -37.22 . . 0 "[ . 1 . 2 ]" 79 . 1 67 PHE C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -89.72 -51.82 -59.94 -61.20 -63.11 . . 0 "[ . 1 . 2 ]" 80 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 ALA N -51.43 -5.41 -40.50 -49.89 -29.84 . . 0 "[ . 1 . 2 ]" 81 . 1 68 ALA C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -75.45 -56.71 -62.40 -64.47 -65.67 0.15 11 0 "[ . 1 . 2 ]" 82 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ASP N -44.16 -26.44 -40.39 -44.66 -36.19 0.50 13 0 "[ . 1 . 2 ]" 83 . 1 69 ALA C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -71.21 -63.61 -65.95 -65.99 -66.72 0.83 7 0 "[ . 1 . 2 ]" 84 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 VAL N -40.11 -24.19 -39.20 -41.39 -35.50 1.28 3 0 "[ . 1 . 2 ]" 85 . 1 70 ASP C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -71.70 -56.18 -66.57 -68.33 -69.53 0.20 6 0 "[ . 1 . 2 ]" 86 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 ARG N -46.08 -33.70 -44.13 -40.72 -41.26 0.49 20 0 "[ . 1 . 2 ]" 87 . 1 71 VAL C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -66.74 -53.26 -60.21 -60.06 -60.89 . . 0 "[ . 1 . 2 ]" 88 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 LEU N -41.49 -23.69 -37.85 -41.94 -31.36 0.45 17 0 "[ . 1 . 2 ]" 89 . 1 72 ARG C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -77.48 -60.56 -64.65 -66.87 -67.99 0.42 13 0 "[ . 1 . 2 ]" 90 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 MET N -44.71 -23.63 -44.40 -45.21 -42.22 0.50 4 0 "[ . 1 . 2 ]" 91 . 1 73 LEU C 1 74 MET N 1 74 MET CA 1 74 MET C -64.61 -52.37 -61.70 -64.71 -58.80 0.10 21 0 "[ . 1 . 2 ]" 92 . 1 74 MET N 1 74 MET CA 1 74 MET C 1 75 PHE N -47.07 -22.99 -43.15 -40.14 -40.51 0.49 21 0 "[ . 1 . 2 ]" 93 . 1 74 MET C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -76.52 -56.42 -66.96 -75.16 -58.54 . . 0 "[ . 1 . 2 ]" 94 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 SER N -45.34 -14.74 -41.64 -45.64 -34.81 0.30 10 0 "[ . 1 . 2 ]" 95 . 1 75 PHE C 1 76 SER N 1 76 SER CA 1 76 SER C -87.86 -54.06 -67.25 -68.68 -69.39 . . 0 "[ . 1 . 2 ]" 96 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 ASN N -45.90 -22.64 -35.52 -43.98 -31.42 . . 0 "[ . 1 . 2 ]" 97 . 1 76 SER C 1 77 ASN N 1 77 ASN CA 1 77 ASN C -93.97 -60.99 -62.40 -63.22 -64.58 0.75 3 0 "[ . 1 . 2 ]" 98 . 1 77 ASN N 1 77 ASN CA 1 77 ASN C 1 78 CYS N -47.25 1.01 -45.78 -47.70 -37.57 0.45 3 0 "[ . 1 . 2 ]" 99 . 1 77 ASN C 1 78 CYS N 1 78 CYS CA 1 78 CYS C -68.56 -49.18 -63.44 -64.52 -65.18 . . 0 "[ . 1 . 2 ]" 100 . 1 78 CYS N 1 78 CYS CA 1 78 CYS C 1 79 TYR N -44.43 -35.97 -40.62 -44.28 -36.66 . . 0 "[ . 1 . 2 ]" 101 . 1 78 CYS C 1 79 TYR N 1 79 TYR CA 1 79 TYR C -100.00 -20.00 -65.04 -63.47 -65.08 . . 0 "[ . 1 . 2 ]" 102 . 1 79 TYR N 1 79 TYR CA 1 79 TYR C 1 80 LYS N -100.00 0.00 -45.93 -60.17 -33.43 . . 0 "[ . 1 . 2 ]" 103 . 1 79 TYR C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -73.95 -45.35 -67.28 -74.59 -61.17 0.64 3 0 "[ . 1 . 2 ]" 104 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 TYR N -48.24 -20.62 -35.70 -31.45 -33.05 . . 0 "[ . 1 . 2 ]" 105 . 1 80 LYS C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -100.00 -20.00 -71.13 -90.62 -57.40 . . 0 "[ . 1 . 2 ]" 106 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 ASN N -100.00 0.00 -57.12 -66.58 -32.52 . . 0 "[ . 1 . 2 ]" 107 . 1 86 HIS C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -100.00 -20.00 -70.85 -70.51 -72.54 . . 0 "[ . 1 . 2 ]" 108 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 VAL N -100.00 0.00 -34.89 -41.04 -31.13 . . 0 "[ . 1 . 2 ]" 109 . 1 87 ASP C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -100.00 -20.00 -59.16 -59.36 -60.42 . . 0 "[ . 1 . 2 ]" 110 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 VAL N -100.00 0.00 -49.42 -60.09 -37.12 . . 0 "[ . 1 . 2 ]" 111 . 1 88 VAL C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -66.14 -58.04 -64.63 -66.95 -61.39 0.81 9 0 "[ . 1 . 2 ]" 112 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 ALA N -49.90 -28.64 -42.82 -38.93 -40.21 . . 0 "[ . 1 . 2 ]" 113 . 1 89 VAL C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -69.17 -54.41 -61.17 -58.75 -59.78 . . 0 "[ . 1 . 2 ]" 114 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 MET N -45.72 -23.30 -35.07 -41.93 -28.74 . . 0 "[ . 1 . 2 ]" 115 . 1 90 ALA C 1 91 MET N 1 91 MET CA 1 91 MET C -69.16 -60.64 -61.64 -62.55 -63.14 0.78 14 0 "[ . 1 . 2 ]" 116 . 1 91 MET N 1 91 MET CA 1 91 MET C 1 92 ALA N -46.07 -22.47 -40.77 -46.62 -35.42 0.55 7 0 "[ . 1 . 2 ]" 117 . 1 91 MET C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -75.06 -59.30 -66.20 -66.88 -67.64 . . 0 "[ . 1 . 2 ]" 118 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ARG N -50.00 -25.84 -43.98 -49.62 -36.80 . . 0 "[ . 1 . 2 ]" 119 . 1 92 ALA C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -73.78 -53.92 -58.76 -59.35 -60.40 0.52 20 0 "[ . 1 . 2 ]" 120 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 LYS N -39.48 -20.32 -39.13 -40.37 -34.87 0.89 6 0 "[ . 1 . 2 ]" 121 . 1 93 ARG C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -71.02 -55.02 -63.77 -62.47 -64.04 . . 0 "[ . 1 . 2 ]" 122 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 LEU N -42.00 -23.62 -38.81 -35.10 -35.13 0.53 15 0 "[ . 1 . 2 ]" 123 . 1 94 LYS C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -88.43 -59.05 -73.61 -81.01 -63.70 . . 0 "[ . 1 . 2 ]" 124 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 GLN N -42.23 -1.63 -33.79 -28.99 -31.22 . . 0 "[ . 1 . 2 ]" 125 . 1 95 LEU C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -69.97 -55.39 -60.08 -69.19 -55.18 0.21 5 0 "[ . 1 . 2 ]" 126 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 ASP N -47.13 -30.63 -42.63 -47.32 -33.89 0.19 9 0 "[ . 1 . 2 ]" 127 . 1 96 GLN C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -75.33 -54.51 -63.00 -64.89 -65.55 . . 0 "[ . 1 . 2 ]" 128 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 VAL N -41.43 -24.93 -40.28 -36.45 -39.79 0.67 20 0 "[ . 1 . 2 ]" 129 . 1 97 ASP C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -69.95 -53.09 -68.18 -67.80 -67.92 0.46 19 0 "[ . 1 . 2 ]" 130 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 PHE N -46.75 -27.65 -39.85 -37.10 -38.13 . . 0 "[ . 1 . 2 ]" 131 . 1 98 VAL C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -73.63 -57.05 -63.08 -70.14 -56.98 0.07 4 0 "[ . 1 . 2 ]" 132 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 GLU N -47.99 -25.31 -42.75 -48.10 -34.58 0.11 2 0 "[ . 1 . 2 ]" 133 . 1 99 PHE C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -75.34 -53.88 -60.76 -59.29 -60.32 . . 0 "[ . 1 . 2 ]" 134 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 PHE N -43.32 -19.70 -41.49 -44.15 -37.19 0.83 15 0 "[ . 1 . 2 ]" 135 . 1 100 GLU C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -72.65 -51.45 -64.38 -64.40 -65.51 . . 0 "[ . 1 . 2 ]" 136 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 ARG N -38.33 -19.83 -38.62 -39.24 -36.90 0.91 7 0 "[ . 1 . 2 ]" 137 . 1 101 PHE C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -78.93 -54.65 -74.20 -78.76 -69.05 . . 0 "[ . 1 . 2 ]" 138 . 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 TYR N -35.79 -17.09 -33.94 -36.44 -27.71 0.65 8 0 "[ . 1 . 2 ]" 139 . 1 102 ARG C 1 103 TYR N 1 103 TYR CA 1 103 TYR C -65.15 -48.95 -62.02 -65.31 -56.77 0.16 6 0 "[ . 1 . 2 ]" 140 . 1 103 TYR N 1 103 TYR CA 1 103 TYR C 1 104 ALA N -46.15 -17.67 -26.21 -23.00 -24.38 0.40 12 0 "[ . 1 . 2 ]" 141 . 1 103 TYR C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -100.00 -20.00 -70.78 -87.99 -59.45 . . 0 "[ . 1 . 2 ]" 142 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 LYS N -100.00 0.00 -35.54 -53.73 -19.49 . . 0 "[ . 1 . 2 ]" 143 . 1 104 ALA C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -100.00 -20.00 -88.65 -81.94 -84.41 . . 0 "[ . 1 . 2 ]" 144 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 MET N -100.00 0.00 -10.06 -27.77 0.30 0.30 5 0 "[ . 1 . 2 ]" 145 . 1 105 LYS C 1 106 MET N 1 106 MET CA 1 106 MET C -100.00 -20.00 -57.49 -54.62 -55.97 . . 0 "[ . 1 . 2 ]" 146 . 1 106 MET N 1 106 MET CA 1 106 MET C 1 107 PRO N -100.00 0.00 -52.05 -60.19 -31.00 . . 0 "[ . 1 . 2 ]" stop_ save_
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