NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
596589 | 2n79 | 25797 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n79 save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 175 _TA_constraint_stats_list.Viol_count 126 _TA_constraint_stats_list.Viol_total 2596.42 _TA_constraint_stats_list.Viol_max 3.93 _TA_constraint_stats_list.Viol_rms 0.25 _TA_constraint_stats_list.Viol_average_all_restraints 0.04 _TA_constraint_stats_list.Viol_average_violations_only 1.03 _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 11 GLN N 1 11 GLN CA 1 11 GLN CB 1 11 GLN CG -120.00 0.00 -90.39 -80.63 -85.83 . . 0 "[ . 1 . 2]" 2 . 1 12 LEU N 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG -120.00 0.00 -88.55 -108.12 -70.05 . . 0 "[ . 1 . 2]" 3 . 1 18 ASN N 1 18 ASN CA 1 18 ASN CB 1 18 ASN CG 0.00 120.00 119.63 110.74 121.75 1.75 19 0 "[ . 1 . 2]" 4 . 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 120.00 -120.00 -166.17 158.45 -133.40 . . 0 "[ . 1 . 2]" 5 . 1 24 PHE N 1 24 PHE CA 1 24 PHE CB 1 24 PHE CG 120.00 -120.00 -147.78 175.15 -126.66 . . 0 "[ . 1 . 2]" 6 . 1 25 ASP N 1 25 ASP CA 1 25 ASP CB 1 25 ASP CG -120.00 0.00 -94.02 -102.47 -113.13 0.40 15 0 "[ . 1 . 2]" 7 . 1 27 PHE N 1 27 PHE CA 1 27 PHE CB 1 27 PHE CG 0.00 120.00 -2.63 -3.93 -1.32 3.93 11 0 "[ . 1 . 2]" 8 . 1 33 ASP N 1 33 ASP CA 1 33 ASP CB 1 33 ASP CG -120.00 0.00 -85.79 -94.23 -110.41 0.32 1 0 "[ . 1 . 2]" 9 . 1 37 SER N 1 37 SER CA 1 37 SER CB 1 37 SER OG 120.00 -120.00 -164.33 119.47 -136.57 0.53 17 0 "[ . 1 . 2]" 10 . 1 50 GLN N 1 50 GLN CA 1 50 GLN CB 1 50 GLN CG -120.00 0.00 -54.29 -28.45 -36.47 0.80 8 0 "[ . 1 . 2]" 11 . 1 55 GLU N 1 55 GLU CA 1 55 GLU CB 1 55 GLU CG 0.00 120.00 68.49 -1.32 120.34 1.32 5 0 "[ . 1 . 2]" 12 . 1 56 GLU N 1 56 GLU CA 1 56 GLU CB 1 56 GLU CG -120.00 0.00 -85.71 -87.68 -88.59 . . 0 "[ . 1 . 2]" 13 . 1 60 MET N 1 60 MET CA 1 60 MET CB 1 60 MET CG -120.00 0.00 -105.06 -121.11 -91.71 1.11 17 0 "[ . 1 . 2]" 14 . 1 62 ASP N 1 62 ASP CA 1 62 ASP CB 1 62 ASP CG -120.00 0.00 -93.81 -119.45 -66.18 . . 0 "[ . 1 . 2]" 15 . 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG 120.00 -120.00 -154.90 -165.36 -136.26 . . 0 "[ . 1 . 2]" 16 . 1 67 ASP N 1 67 ASP CA 1 67 ASP CB 1 67 ASP CG 0.00 120.00 55.86 48.45 69.54 . . 0 "[ . 1 . 2]" 17 . 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG 0.00 120.00 73.60 66.66 82.74 . . 0 "[ . 1 . 2]" 18 . 1 73 ASP N 1 73 ASP CA 1 73 ASP CB 1 73 ASP CG 0.00 120.00 51.50 -2.46 86.30 2.46 20 0 "[ . 1 . 2]" 19 . 1 74 PHE N 1 74 PHE CA 1 74 PHE CB 1 74 PHE CG 120.00 -120.00 -157.18 -154.36 -156.81 . . 0 "[ . 1 . 2]" 20 . 1 76 GLU N 1 76 GLU CA 1 76 GLU CB 1 76 GLU CG -120.00 0.00 -106.00 -118.89 -84.18 . . 0 "[ . 1 . 2]" 21 . 1 78 LEU N 1 78 LEU CA 1 78 LEU CB 1 78 LEU CG -120.00 0.00 -106.15 -111.07 -111.38 . . 0 "[ . 1 . 2]" 22 . 1 2 ASP C 1 3 ASP N 1 3 ASP CA 1 3 ASP C -94.00 -34.00 -75.30 -95.46 -48.46 1.46 16 0 "[ . 1 . 2]" 23 . 1 3 ASP N 1 3 ASP CA 1 3 ASP C 1 4 ILE N -64.00 -4.00 -31.41 -53.67 -3.19 0.81 18 0 "[ . 1 . 2]" 24 . 1 3 ASP C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -97.00 -37.00 -60.38 -74.31 -49.55 . . 0 "[ . 1 . 2]" 25 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 TYR N -69.00 -9.00 -31.42 -22.86 -27.42 . . 0 "[ . 1 . 2]" 26 . 1 4 ILE C 1 5 TYR N 1 5 TYR CA 1 5 TYR C -98.00 -38.00 -76.54 -69.71 -73.06 . . 0 "[ . 1 . 2]" 27 . 1 5 TYR N 1 5 TYR CA 1 5 TYR C 1 6 LYS N -72.00 -12.00 -41.45 -56.49 -28.84 . . 0 "[ . 1 . 2]" 28 . 1 5 TYR C 1 6 LYS N 1 6 LYS CA 1 6 LYS C -103.00 -35.00 -66.90 -80.75 -56.32 . . 0 "[ . 1 . 2]" 29 . 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 ALA N -69.00 3.00 -37.82 -39.53 -40.79 . . 0 "[ . 1 . 2]" 30 . 1 6 LYS C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -91.00 -31.00 -59.03 -64.17 -67.31 . . 0 "[ . 1 . 2]" 31 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 ALA N -72.00 -12.00 -37.40 -47.85 -29.58 . . 0 "[ . 1 . 2]" 32 . 1 7 ALA C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -95.00 -35.00 -59.62 -95.23 -49.15 0.23 6 0 "[ . 1 . 2]" 33 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 VAL N -69.00 -9.00 -49.69 -57.58 -38.51 . . 0 "[ . 1 . 2]" 34 . 1 8 ALA C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -93.00 -33.00 -58.67 -61.89 -62.16 . . 0 "[ . 1 . 2]" 35 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 GLU N -75.00 -15.00 -40.56 -47.85 -35.25 . . 0 "[ . 1 . 2]" 36 . 1 9 VAL C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -99.00 -39.00 -70.57 -78.38 -64.16 . . 0 "[ . 1 . 2]" 37 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 GLN N -64.00 -4.00 -35.55 -37.39 -38.69 . . 0 "[ . 1 . 2]" 38 . 1 10 GLU C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -124.00 -64.00 -84.72 -107.52 -66.26 . . 0 "[ . 1 . 2]" 39 . 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 LEU N -38.00 22.00 -10.78 19.54 6.85 0.33 4 0 "[ . 1 . 2]" 40 . 1 11 GLN C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -146.00 -34.00 -64.86 -84.76 -52.97 . . 0 "[ . 1 . 2]" 41 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 THR N 125.00 -175.00 139.92 151.19 145.01 0.96 10 0 "[ . 1 . 2]" 42 . 1 12 LEU C 1 13 THR N 1 13 THR CA 1 13 THR C -118.00 -54.00 -78.82 -96.42 -63.52 . . 0 "[ . 1 . 2]" 43 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 GLU N 134.00 -166.00 161.36 168.80 167.96 . . 0 "[ . 1 . 2]" 44 . 1 13 THR C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -89.00 -29.00 -60.44 -75.60 -53.89 . . 0 "[ . 1 . 2]" 45 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 GLU N -70.00 -10.00 -39.51 -50.38 -30.65 . . 0 "[ . 1 . 2]" 46 . 1 14 GLU C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -92.00 -32.00 -57.58 -67.00 -52.32 . . 0 "[ . 1 . 2]" 47 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLN N -72.00 -12.00 -39.88 -33.17 -37.61 . . 0 "[ . 1 . 2]" 48 . 1 15 GLU C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -96.00 -36.00 -70.52 -91.37 -52.87 . . 0 "[ . 1 . 2]" 49 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 LYS N -75.00 -15.00 -43.02 -35.66 -38.84 . . 0 "[ . 1 . 2]" 50 . 1 16 GLN C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -91.00 -31.00 -61.44 -72.46 -51.58 . . 0 "[ . 1 . 2]" 51 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ASN N -70.00 -10.00 -38.19 -48.26 -29.93 . . 0 "[ . 1 . 2]" 52 . 1 17 LYS C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -94.77 -34.77 -70.14 -74.17 -76.71 . . 0 "[ . 1 . 2]" 53 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 GLU N -68.51 -8.51 -38.62 -46.80 -28.72 . . 0 "[ . 1 . 2]" 54 . 1 18 ASN C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -95.80 -35.80 -64.36 -72.92 -54.71 . . 0 "[ . 1 . 2]" 55 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 PHE N -67.84 -7.84 -37.24 -43.14 -43.92 . . 0 "[ . 1 . 2]" 56 . 1 19 GLU C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -95.75 -35.75 -64.89 -76.53 -55.91 . . 0 "[ . 1 . 2]" 57 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 LYS N -67.12 -7.12 -41.70 -48.48 -37.00 . . 0 "[ . 1 . 2]" 58 . 1 20 PHE C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -93.88 -33.88 -68.23 -83.50 -59.73 . . 0 "[ . 1 . 2]" 59 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ALA N -69.54 -9.54 -42.87 -41.61 -43.46 . . 0 "[ . 1 . 2]" 60 . 1 21 LYS C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -89.77 -29.77 -57.32 -56.92 -57.71 . . 0 "[ . 1 . 2]" 61 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ALA N -69.79 -9.79 -42.38 -48.80 -30.61 . . 0 "[ . 1 . 2]" 62 . 1 22 ALA C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -92.15 -32.15 -70.07 -68.10 -69.01 . . 0 "[ . 1 . 2]" 63 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 PHE N -71.06 -11.06 -44.09 -42.11 -43.79 . . 0 "[ . 1 . 2]" 64 . 1 23 ALA C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -94.27 -34.27 -57.65 -62.72 -66.34 . . 0 "[ . 1 . 2]" 65 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 ASP N -72.50 -12.50 -38.79 -46.88 -29.74 . . 0 "[ . 1 . 2]" 66 . 1 24 PHE C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -91.41 -31.41 -59.18 -71.68 -50.81 . . 0 "[ . 1 . 2]" 67 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 ILE N -67.38 -7.38 -29.24 -28.27 -30.82 . . 0 "[ . 1 . 2]" 68 . 1 25 ASP C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -95.43 -35.43 -57.86 -66.07 -50.76 . . 0 "[ . 1 . 2]" 69 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 PHE N -64.82 -4.82 -41.32 -48.61 -36.24 . . 0 "[ . 1 . 2]" 70 . 1 26 ILE C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -100.00 -40.00 -96.39 -94.53 -96.29 1.38 7 0 "[ . 1 . 2]" 71 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 VAL N -60.00 0.00 -22.45 -23.59 -27.44 . . 0 "[ . 1 . 2]" 72 . 1 27 PHE C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -97.00 -37.00 -71.04 -64.76 -66.55 1.04 20 0 "[ . 1 . 2]" 73 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 GLN N -67.00 -7.00 -29.76 -30.38 -32.79 . . 0 "[ . 1 . 2]" 74 . 1 28 VAL C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -97.00 -29.00 -57.32 -54.06 -55.58 . . 0 "[ . 1 . 2]" 75 . 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 GLY N -68.00 -8.00 -39.32 -49.37 -29.85 . . 0 "[ . 1 . 2]" 76 . 1 31 ALA C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -89.00 -29.00 -72.75 -70.99 -74.21 0.50 1 0 "[ . 1 . 2]" 77 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ASP N -60.00 0.00 -44.17 -40.30 -46.33 0.30 12 0 "[ . 1 . 2]" 78 . 1 32 GLU C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -111.88 -51.88 -93.48 -94.13 -100.24 0.32 12 0 "[ . 1 . 2]" 79 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 GLY N -30.83 29.17 -17.55 -17.45 -22.06 1.11 15 0 "[ . 1 . 2]" 80 . 1 33 ASP C 1 34 GLY N 1 34 GLY CA 1 34 GLY C 44.95 104.95 87.26 60.39 105.14 0.19 1 0 "[ . 1 . 2]" 81 . 1 34 GLY N 1 34 GLY CA 1 34 GLY C 1 35 SER N -4.47 55.53 33.91 -4.31 55.92 0.39 7 0 "[ . 1 . 2]" 82 . 1 34 GLY C 1 35 SER N 1 35 SER CA 1 35 SER C -132.45 -67.81 -125.07 -133.35 -94.70 0.90 14 0 "[ . 1 . 2]" 83 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 ILE N 124.02 -175.98 151.50 154.25 151.57 . . 0 "[ . 1 . 2]" 84 . 1 35 SER C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -172.70 -88.00 -111.53 -91.87 -97.41 . . 0 "[ . 1 . 2]" 85 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 SER N 110.68 170.68 143.26 132.50 152.16 . . 0 "[ . 1 . 2]" 86 . 1 36 ILE C 1 37 SER N 1 37 SER CA 1 37 SER C -107.80 -47.80 -87.69 -84.29 -85.62 . . 0 "[ . 1 . 2]" 87 . 1 37 SER N 1 37 SER CA 1 37 SER C 1 38 THR N 129.32 -170.68 169.79 169.08 167.02 . . 0 "[ . 1 . 2]" 88 . 1 37 SER C 1 38 THR N 1 38 THR CA 1 38 THR C -88.57 -28.57 -62.15 -79.38 -55.93 . . 0 "[ . 1 . 2]" 89 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 LYS N -69.17 -9.17 -37.02 -42.86 -20.77 . . 0 "[ . 1 . 2]" 90 . 1 38 THR C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -95.63 -35.63 -63.62 -77.26 -57.38 . . 0 "[ . 1 . 2]" 91 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 GLU N -60.23 -0.23 -32.97 -37.08 -40.87 . . 0 "[ . 1 . 2]" 92 . 1 39 LYS C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -95.62 -35.62 -90.26 -96.26 -84.79 0.64 5 0 "[ . 1 . 2]" 93 . 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 LEU N -63.46 -3.46 -24.83 -32.62 -10.26 . . 0 "[ . 1 . 2]" 94 . 1 40 GLU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -101.49 -35.09 -60.66 -58.79 -59.27 . . 0 "[ . 1 . 2]" 95 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 GLY N -68.69 2.05 -32.84 -40.23 -14.55 . . 0 "[ . 1 . 2]" 96 . 1 41 LEU C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -94.69 -34.69 -56.47 -57.70 -58.82 . . 0 "[ . 1 . 2]" 97 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 LYS N -68.15 -8.15 -45.05 -57.26 -37.25 . . 0 "[ . 1 . 2]" 98 . 1 42 GLY C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -94.95 -34.95 -68.45 -78.00 -60.00 . . 0 "[ . 1 . 2]" 99 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 VAL N -71.85 -11.85 -38.24 -38.33 -39.33 . . 0 "[ . 1 . 2]" 100 . 1 43 LYS C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -95.31 -35.31 -58.23 -57.53 -58.53 . . 0 "[ . 1 . 2]" 101 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 MET N -73.22 -13.22 -46.38 -52.94 -40.12 . . 0 "[ . 1 . 2]" 102 . 1 44 VAL C 1 45 MET N 1 45 MET CA 1 45 MET C -92.91 -32.91 -65.28 -64.89 -66.16 . . 0 "[ . 1 . 2]" 103 . 1 45 MET N 1 45 MET CA 1 45 MET C 1 46 ARG N -70.80 -10.80 -48.08 -47.45 -49.20 . . 0 "[ . 1 . 2]" 104 . 1 45 MET C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -96.02 -36.02 -58.50 -64.67 -54.67 . . 0 "[ . 1 . 2]" 105 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 MET N -65.37 -5.37 -35.31 -36.37 -38.78 . . 0 "[ . 1 . 2]" 106 . 1 46 ARG C 1 47 MET N 1 47 MET CA 1 47 MET C -96.19 -36.19 -70.50 -78.94 -61.35 . . 0 "[ . 1 . 2]" 107 . 1 47 MET N 1 47 MET CA 1 47 MET C 1 48 LEU N -54.03 5.97 -32.16 -36.09 -37.80 . . 0 "[ . 1 . 2]" 108 . 1 47 MET C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -114.02 -54.02 -86.01 -102.11 -66.96 . . 0 "[ . 1 . 2]" 109 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLY N -42.14 32.14 -12.91 -43.53 26.98 1.39 19 0 "[ . 1 . 2]" 110 . 1 51 ASN C 1 52 PRO N 1 52 PRO CA 1 52 PRO C -101.00 -41.00 -77.47 -75.60 -76.28 . . 0 "[ . 1 . 2]" 111 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 THR N 123.00 -177.00 146.00 122.29 162.78 0.71 16 0 "[ . 1 . 2]" 112 . 1 53 THR C 1 54 PRO N 1 54 PRO CA 1 54 PRO C -82.00 -22.00 -66.90 -68.07 -68.14 . . 0 "[ . 1 . 2]" 113 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 GLU N -66.00 -6.00 -39.58 -46.32 -46.90 . . 0 "[ . 1 . 2]" 114 . 1 54 PRO C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -96.00 -36.00 -69.90 -90.00 -60.62 . . 0 "[ . 1 . 2]" 115 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 GLU N -67.00 -7.00 -31.06 -55.41 -23.24 . . 0 "[ . 1 . 2]" 116 . 1 55 GLU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -98.00 -38.00 -88.56 -86.24 -87.50 . . 0 "[ . 1 . 2]" 117 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 LEU N -71.00 -11.00 -29.58 -22.34 -25.75 . . 0 "[ . 1 . 2]" 118 . 1 56 GLU C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -101.00 -33.00 -59.12 -72.00 -50.62 . . 0 "[ . 1 . 2]" 119 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 GLN N -68.00 0.00 -34.74 -35.02 -35.64 . . 0 "[ . 1 . 2]" 120 . 1 57 LEU C 1 58 GLN N 1 58 GLN CA 1 58 GLN C -93.67 -33.67 -55.31 -54.76 -55.89 . . 0 "[ . 1 . 2]" 121 . 1 58 GLN N 1 58 GLN CA 1 58 GLN C 1 59 GLU N -66.27 -6.27 -52.41 -60.15 -42.45 . . 0 "[ . 1 . 2]" 122 . 1 58 GLN C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -97.68 -37.68 -66.36 -74.93 -57.71 . . 0 "[ . 1 . 2]" 123 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 MET N -69.64 -9.64 -38.47 -32.73 -36.08 . . 0 "[ . 1 . 2]" 124 . 1 59 GLU C 1 60 MET N 1 60 MET CA 1 60 MET C -95.48 -35.48 -57.50 -65.90 -51.18 . . 0 "[ . 1 . 2]" 125 . 1 60 MET N 1 60 MET CA 1 60 MET C 1 61 ILE N -68.71 -8.71 -44.45 -55.84 -31.31 . . 0 "[ . 1 . 2]" 126 . 1 60 MET C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -94.87 -34.87 -75.67 -80.23 -84.66 1.74 18 0 "[ . 1 . 2]" 127 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 ASP N -72.01 -12.01 -44.30 -57.71 -36.05 . . 0 "[ . 1 . 2]" 128 . 1 61 ILE C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -94.94 -34.94 -62.58 -69.07 -71.57 . . 0 "[ . 1 . 2]" 129 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 GLU N -63.80 -3.80 -36.79 -43.03 -27.45 . . 0 "[ . 1 . 2]" 130 . 1 62 ASP C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -105.08 -45.08 -64.88 -65.63 -66.82 . . 0 "[ . 1 . 2]" 131 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 VAL N -65.85 -5.85 -41.67 -53.21 -30.76 . . 0 "[ . 1 . 2]" 132 . 1 63 GLU C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -116.97 -56.97 -76.59 -72.63 -75.40 . . 0 "[ . 1 . 2]" 133 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 ASP N -58.76 1.24 -26.12 -39.13 -14.17 . . 0 "[ . 1 . 2]" 134 . 1 64 VAL C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -133.74 -35.14 -70.24 -81.17 -62.39 . . 0 "[ . 1 . 2]" 135 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 GLU N 50.35 110.35 97.06 110.85 106.21 0.50 2 0 "[ . 1 . 2]" 136 . 1 65 ASP C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -89.38 -29.38 -84.61 -88.52 -89.37 1.40 20 0 "[ . 1 . 2]" 137 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 ASP N -66.56 -6.56 -33.90 -41.43 -27.20 . . 0 "[ . 1 . 2]" 138 . 1 66 GLU C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -126.68 -66.68 -69.70 -74.86 -65.63 1.05 1 0 "[ . 1 . 2]" 139 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 GLY N -20.62 39.38 -21.46 -22.06 -19.87 1.44 10 0 "[ . 1 . 2]" 140 . 1 67 ASP C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 33.61 112.99 79.72 71.48 86.46 . . 0 "[ . 1 . 2]" 141 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 SER N -34.94 61.14 52.94 55.27 50.33 1.00 12 0 "[ . 1 . 2]" 142 . 1 68 GLY C 1 69 SER N 1 69 SER CA 1 69 SER C -124.57 -64.57 -110.63 -111.85 -113.28 . . 0 "[ . 1 . 2]" 143 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 GLY N -33.28 26.72 -24.86 -33.05 -13.19 . . 0 "[ . 1 . 2]" 144 . 1 69 SER C 1 70 GLY N 1 70 GLY CA 1 70 GLY C 57.67 117.67 93.71 87.04 83.67 . . 0 "[ . 1 . 2]" 145 . 1 70 GLY N 1 70 GLY CA 1 70 GLY C 1 71 THR N -26.34 33.66 -9.79 -26.95 18.87 0.61 8 0 "[ . 1 . 2]" 146 . 1 70 GLY C 1 71 THR N 1 71 THR CA 1 71 THR C -168.01 -108.01 -117.63 -114.18 -124.21 0.90 11 0 "[ . 1 . 2]" 147 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 VAL N 126.62 -173.38 143.42 131.67 125.94 0.68 1 0 "[ . 1 . 2]" 148 . 1 71 THR C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -140.53 -80.53 -91.06 -110.23 -80.27 0.26 5 0 "[ . 1 . 2]" 149 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 ASP N 86.50 146.50 134.11 124.41 143.50 . . 0 "[ . 1 . 2]" 150 . 1 72 VAL C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -117.95 -57.95 -111.67 -103.01 -106.99 1.15 11 0 "[ . 1 . 2]" 151 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 PHE N 143.83 -156.17 -167.54 179.12 -158.56 . . 0 "[ . 1 . 2]" 152 . 1 73 ASP C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -90.32 -30.32 -60.85 -56.02 -56.66 . . 0 "[ . 1 . 2]" 153 . 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 ASP N -68.81 -8.81 -45.47 -54.29 -33.18 . . 0 "[ . 1 . 2]" 154 . 1 74 PHE C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -89.70 -29.70 -62.72 -60.67 -61.55 . . 0 "[ . 1 . 2]" 155 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 GLU N -72.87 -12.87 -49.29 -48.99 -49.59 . . 0 "[ . 1 . 2]" 156 . 1 75 ASP C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -96.31 -36.31 -61.44 -69.88 -53.79 . . 0 "[ . 1 . 2]" 157 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 PHE N -69.22 -9.22 -43.36 -48.47 -38.66 . . 0 "[ . 1 . 2]" 158 . 1 76 GLU C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -95.35 -35.35 -59.63 -64.24 -54.16 . . 0 "[ . 1 . 2]" 159 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 LEU N -72.22 -12.22 -40.58 -36.18 -38.08 . . 0 "[ . 1 . 2]" 160 . 1 77 PHE C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -90.31 -30.31 -61.25 -65.55 -56.20 . . 0 "[ . 1 . 2]" 161 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 VAL N -71.01 -11.01 -45.89 -54.09 -37.43 . . 0 "[ . 1 . 2]" 162 . 1 78 LEU C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -96.18 -36.18 -71.77 -79.93 -63.93 . . 0 "[ . 1 . 2]" 163 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 MET N -73.31 -13.31 -30.28 -28.54 -31.72 . . 0 "[ . 1 . 2]" 164 . 1 79 VAL C 1 80 MET N 1 80 MET CA 1 80 MET C -92.30 -32.30 -73.56 -87.90 -55.30 . . 0 "[ . 1 . 2]" 165 . 1 80 MET N 1 80 MET CA 1 80 MET C 1 81 MET N -71.66 -11.66 -36.38 -49.32 -15.30 . . 0 "[ . 1 . 2]" 166 . 1 80 MET C 1 81 MET N 1 81 MET CA 1 81 MET C -94.13 -34.13 -65.27 -79.13 -55.53 . . 0 "[ . 1 . 2]" 167 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 VAL N -65.72 -5.72 -47.55 -56.52 -37.92 . . 0 "[ . 1 . 2]" 168 . 1 81 MET C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -98.04 -38.04 -60.31 -60.96 -61.87 . . 0 "[ . 1 . 2]" 169 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ARG N -66.52 -6.52 -33.98 -52.26 -25.95 . . 0 "[ . 1 . 2]" 170 . 1 82 VAL C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -91.88 -31.88 -71.70 -71.34 -73.82 . . 0 "[ . 1 . 2]" 171 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 SER N -66.60 -6.60 -36.81 -49.23 -25.52 . . 0 "[ . 1 . 2]" 172 . 1 83 ARG C 1 84 SER N 1 84 SER CA 1 84 SER C -93.51 -33.51 -82.81 -93.73 -64.23 0.22 16 0 "[ . 1 . 2]" 173 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 MET N -70.23 -10.23 -22.49 -12.96 -17.05 0.92 6 0 "[ . 1 . 2]" 174 . 1 84 SER C 1 85 MET N 1 85 MET CA 1 85 MET C -96.04 -36.04 -66.79 -67.55 -70.36 . . 0 "[ . 1 . 2]" 175 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 LYS N -70.46 -10.46 -41.83 -39.99 -43.10 0.44 12 0 "[ . 1 . 2]" stop_ save_
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