NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
640834 | 6o1q | 30575 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6o1q save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 180 _TA_constraint_stats_list.Viol_count 507 _TA_constraint_stats_list.Viol_total 4103.00 _TA_constraint_stats_list.Viol_max 4.52 _TA_constraint_stats_list.Viol_rms 0.54 _TA_constraint_stats_list.Viol_average_all_restraints 0.23 _TA_constraint_stats_list.Viol_average_violations_only 0.81 _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 13 PRO N 1 13 PRO CA 1 13 PRO C 1 14 LEU N -40.73 -29.51 -31.63 -39.67 -27.63 1.88 5 0 "[ . 1]" 2 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLN N -50.62 -32.06 -38.58 -32.80 -35.70 . . 0 "[ . 1]" 3 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 ALA N -48.29 -35.31 -45.26 -42.51 -44.96 0.33 5 0 "[ . 1]" 4 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 LEU N -44.88 -33.46 -45.21 -46.22 -44.19 1.34 10 0 "[ . 1]" 5 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 ARG N -50.46 -37.66 -38.60 -37.78 -39.53 2.60 2 0 "[ . 1]" 6 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 ARG N -48.63 -33.23 -36.73 -36.24 -37.47 0.32 10 0 "[ . 1]" 7 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 ARG N -47.52 -33.86 -42.89 -44.48 -46.00 . . 0 "[ . 1]" 8 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 ASN N -48.88 -31.72 -39.15 -36.98 -38.03 . . 0 "[ . 1]" 9 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 GLN N -43.90 -32.88 -39.62 -42.25 -34.60 . . 0 "[ . 1]" 10 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 GLU N -45.99 -32.77 -31.62 -32.43 -32.88 2.64 9 0 "[ . 1]" 11 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 LEU N -47.41 -36.91 -44.39 -48.20 -38.22 0.79 7 0 "[ . 1]" 12 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 LYS N -48.57 -35.57 -38.79 -41.93 -43.50 0.15 3 0 "[ . 1]" 13 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 GLN N -47.60 -37.32 -42.66 -41.67 -42.74 . . 0 "[ . 1]" 14 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 GLN N -45.35 -35.73 -36.02 -45.00 -32.76 2.97 7 0 "[ . 1]" 15 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 VAL N -47.03 -35.87 -35.92 -42.79 -33.52 2.35 4 0 "[ . 1]" 16 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 ASP N -48.54 -37.58 -46.95 -49.11 -43.62 0.57 2 0 "[ . 1]" 17 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 SER N -46.33 -33.93 -36.47 -38.95 -33.11 0.82 8 0 "[ . 1]" 18 . 1 30 SER N 1 30 SER CA 1 30 SER C 1 31 LEU N -44.62 -34.44 -40.21 -35.87 -37.53 0.04 6 0 "[ . 1]" 19 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 LEU N -52.36 -35.84 -45.47 -48.58 -40.49 . . 0 "[ . 1]" 20 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 SER N -44.61 -34.17 -35.99 -44.19 -32.71 1.46 1 0 "[ . 1]" 21 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 GLU N -46.19 -32.93 -38.63 -46.73 -31.50 1.43 5 0 "[ . 1]" 22 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 SER N -49.79 -23.25 -35.07 -40.46 -46.71 . . 0 "[ . 1]" 23 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 GLN N -31.90 -13.24 -12.03 -23.98 -8.72 4.52 1 0 "[ . 1]" 24 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 LEU N -24.81 6.71 -5.39 -17.25 8.91 2.20 3 0 "[ . 1]" 25 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 GLU N -48.11 -30.67 -30.08 -28.15 -28.88 2.52 2 0 "[ . 1]" 26 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 ALA N -37.33 -18.65 -19.54 -27.67 -17.23 1.42 6 0 "[ . 1]" 27 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 LEU N -28.19 -0.51 -1.40 0.70 0.02 1.31 2 0 "[ . 1]" 28 . 1 43 PRO N 1 43 PRO CA 1 43 PRO C 1 44 ASN N -49.19 -31.19 -39.89 -32.95 -39.62 1.18 10 0 "[ . 1]" 29 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 LYS N -47.42 -27.94 -41.91 -33.29 -38.56 0.99 4 0 "[ . 1]" 30 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 ARG N -44.80 -32.40 -35.09 -42.81 -31.12 1.28 1 0 "[ . 1]" 31 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 GLN N -50.13 -36.37 -41.10 -42.60 -42.61 0.15 5 0 "[ . 1]" 32 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 HIS N -46.06 -31.84 -36.02 -41.12 -31.00 0.84 3 0 "[ . 1]" 33 . 1 48 HIS N 1 48 HIS CA 1 48 HIS C 1 49 ILE N -48.88 -35.74 -37.41 -41.59 -34.54 1.20 8 0 "[ . 1]" 34 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 TYR N -48.88 -36.04 -44.68 -49.73 -41.70 0.85 3 0 "[ . 1]" 35 . 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 GLN N -49.68 -41.60 -40.86 -41.10 -41.15 1.33 7 0 "[ . 1]" 36 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 ARG N -45.73 -31.21 -43.64 -42.30 -44.11 0.66 4 0 "[ . 1]" 37 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 CYS N -46.69 -32.21 -34.69 -40.43 -31.63 0.58 5 0 "[ . 1]" 38 . 1 53 CYS N 1 53 CYS CA 1 53 CYS C 1 54 ILE N -47.17 -36.85 -43.50 -42.32 -44.02 . . 0 "[ . 1]" 39 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 GLN N -47.36 -31.48 -42.87 -40.06 -40.78 0.33 8 0 "[ . 1]" 40 . 1 55 GLN N 1 55 GLN CA 1 55 GLN C 1 56 LEU N -48.50 -35.88 -49.76 -46.87 -48.96 2.53 10 0 "[ . 1]" 41 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 LYS N -45.00 -34.10 -37.97 -38.25 -39.43 . . 0 "[ . 1]" 42 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 GLN N -48.50 -35.30 -42.13 -38.63 -39.44 . . 0 "[ . 1]" 43 . 1 58 GLN N 1 58 GLN CA 1 58 GLN C 1 59 ALA N -48.55 -35.47 -37.56 -42.39 -34.39 1.08 9 0 "[ . 1]" 44 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 ILE N -48.93 -34.51 -41.56 -42.14 -43.50 . . 0 "[ . 1]" 45 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 ASP N -50.93 -38.51 -41.93 -41.21 -41.72 . . 0 "[ . 1]" 46 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 GLU N -47.08 -36.96 -37.42 -41.37 -36.09 0.87 10 0 "[ . 1]" 47 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 ASN N -47.44 -30.28 -46.66 -47.81 -45.29 0.37 8 0 "[ . 1]" 48 . 1 63 ASN N 1 63 ASN CA 1 63 ASN C 1 64 LYS N -45.33 -31.45 -39.81 -43.50 -33.68 . . 0 "[ . 1]" 49 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 ASN N -46.84 -35.20 -43.85 -47.01 -39.22 0.17 4 0 "[ . 1]" 50 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 ALA N -47.58 -34.74 -39.11 -41.96 -42.50 . . 0 "[ . 1]" 51 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 LEU N -46.96 -33.46 -44.36 -47.48 -39.11 0.52 7 0 "[ . 1]" 52 . 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 GLN N -47.48 -31.16 -41.05 -29.19 -36.87 1.97 2 0 "[ . 1]" 53 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 LYS N -34.04 -18.00 -28.55 -24.12 -28.43 . . 0 "[ . 1]" 54 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 LEU N -28.27 -1.15 -20.91 -28.78 -29.74 1.47 1 0 "[ . 1]" 55 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 ASP N -27.61 -5.25 -21.07 -29.25 -4.85 1.64 7 0 "[ . 1]" 56 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 GLU N -23.65 1.87 -14.16 -15.91 -22.29 2.04 7 0 "[ . 1]" 57 . 1 81 ASN N 1 81 ASN CA 1 81 ASN C 1 82 TYR N -50.84 -12.00 -35.45 -50.48 -15.17 . . 0 "[ . 1]" 58 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 ASN N -53.76 -38.44 -40.35 -42.61 -47.08 0.60 10 0 "[ . 1]" 59 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 GLN N -45.29 -27.83 -37.81 -46.43 -27.49 1.14 3 0 "[ . 1]" 60 . 1 84 GLN N 1 84 GLN CA 1 84 GLN C 1 85 ARG N -49.95 -35.75 -46.33 -50.21 -50.47 1.05 7 0 "[ . 1]" 61 . 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 LYS N -43.79 -28.65 -35.15 -28.32 -31.38 0.33 2 0 "[ . 1]" 62 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 GLU N -50.03 -36.51 -40.48 -40.68 -41.50 2.64 4 0 "[ . 1]" 63 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 GLU N -45.66 -35.08 -39.03 -35.56 -38.16 1.69 2 0 "[ . 1]" 64 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 GLU N -49.51 -31.85 -36.17 -42.26 -30.25 1.60 9 0 "[ . 1]" 65 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 HIS N -45.74 -32.92 -39.15 -36.13 -36.24 0.64 4 0 "[ . 1]" 66 . 1 90 HIS N 1 90 HIS CA 1 90 HIS C 1 91 THR N -47.62 -38.04 -43.35 -46.88 -37.95 0.09 7 0 "[ . 1]" 67 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 LEU N -47.03 -34.85 -40.51 -42.69 -43.13 . . 0 "[ . 1]" 68 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 LEU N -51.21 -39.55 -51.21 -50.60 -50.92 1.19 8 0 "[ . 1]" 69 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ASP N -45.87 -33.71 -33.72 -38.22 -32.26 1.45 4 0 "[ . 1]" 70 . 1 94 ASP N 1 94 ASP CA 1 94 ASP C 1 95 LYS N -44.58 -32.46 -43.80 -28.16 -44.47 4.30 2 0 "[ . 1]" 71 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 LEU N -49.15 -33.41 -43.42 -41.84 -43.99 0.47 9 0 "[ . 1]" 72 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 THR N -46.30 -32.76 -42.92 -35.26 -40.63 0.27 7 0 "[ . 1]" 73 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 GLN N -50.26 -39.40 -44.40 -40.57 -43.19 0.46 2 0 "[ . 1]" 74 . 1 98 GLN N 1 98 GLN CA 1 98 GLN C 1 99 GLN N -46.66 -36.12 -43.08 -47.22 -35.41 0.71 1 0 "[ . 1]" 75 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 LEU N -48.59 -36.65 -44.79 -41.88 -45.19 0.56 3 0 "[ . 1]" 76 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 GLN N -46.29 -30.79 -43.37 -35.47 -39.55 1.61 3 0 "[ . 1]" 77 . 1 101 GLN N 1 101 GLN CA 1 101 GLN C 1 102 GLY N -46.81 -32.03 -40.86 -35.75 -38.64 0.14 2 0 "[ . 1]" 78 . 1 102 GLY N 1 102 GLY CA 1 102 GLY C 1 103 LEU N -45.31 -30.53 -43.26 -41.10 -42.16 0.49 8 0 "[ . 1]" 79 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 ALA N -48.89 -37.81 -43.82 -45.93 -40.55 . . 0 "[ . 1]" 80 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 VAL N -46.17 -35.39 -46.13 -46.43 -46.68 1.20 9 0 "[ . 1]" 81 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 THR N -47.21 -31.51 -37.17 -39.33 -40.31 . . 0 "[ . 1]" 82 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 ILE N -48.87 -32.83 -37.95 -35.71 -37.91 0.03 3 0 "[ . 1]" 83 . 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 SER N -42.36 -23.26 -37.95 -27.86 -32.86 0.35 3 0 "[ . 1]" 84 . 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 ARG N -34.93 -5.97 -18.11 -20.28 -23.34 0.46 7 0 "[ . 1]" 85 . 1 21 ASN N 1 21 ASN CA 1 21 ASN CB 1 21 ASN CG -86.60 -62.60 -67.49 -70.87 -64.83 . . 0 "[ . 1]" 86 . 1 27 GLN N 1 27 GLN CA 1 27 GLN CB 1 27 GLN CG -77.05 -50.95 -65.73 -67.98 -71.42 . . 0 "[ . 1]" 87 . 1 32 LEU N 1 32 LEU CA 1 32 LEU CB 1 32 LEU CG -80.55 -61.65 -61.96 -62.64 -61.41 0.24 8 0 "[ . 1]" 88 . 1 37 LEU N 1 37 LEU CA 1 37 LEU CB 1 37 LEU CG -82.40 -60.20 -60.69 -63.35 -59.16 1.04 8 0 "[ . 1]" 89 . 1 44 ASN N 1 44 ASN CA 1 44 ASN CB 1 44 ASN CG -82.95 -55.05 -67.83 -64.67 -68.92 . . 0 "[ . 1]" 90 . 1 63 ASN N 1 63 ASN CA 1 63 ASN CB 1 63 ASN CG -88.80 -61.20 -75.52 -78.82 -71.84 . . 0 "[ . 1]" 91 . 1 65 ASN N 1 65 ASN CA 1 65 ASN CB 1 65 ASN CG -88.45 -56.95 -76.26 -68.77 -70.64 . . 0 "[ . 1]" 92 . 1 83 ASN N 1 83 ASN CA 1 83 ASN CB 1 83 ASN CG -87.20 -59.00 -67.46 -71.96 -73.26 0.37 10 0 "[ . 1]" 93 . 1 92 LEU N 1 92 LEU CA 1 92 LEU CB 1 92 LEU CG 170.45 -174.85 177.33 173.48 -178.65 . . 0 "[ . 1]" 94 . 1 93 LEU N 1 93 LEU CA 1 93 LEU CB 1 93 LEU CG -81.85 -61.75 -63.86 -61.97 -62.30 1.14 5 0 "[ . 1]" 95 . 1 96 LEU N 1 96 LEU CA 1 96 LEU CB 1 96 LEU CG -88.65 -58.95 -59.67 -59.54 -60.50 0.72 7 0 "[ . 1]" 96 . 1 100 LEU N 1 100 LEU CA 1 100 LEU CB 1 100 LEU CG -80.30 -58.70 -64.60 -69.18 -59.00 . . 0 "[ . 1]" 97 . 1 12 ASP C 1 13 PRO N 1 13 PRO CA 1 13 PRO C -61.84 -47.52 -60.55 -64.86 -55.02 3.02 10 0 "[ . 1]" 98 . 1 13 PRO C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -73.00 -57.50 -61.10 -67.23 -56.52 0.98 5 0 "[ . 1]" 99 . 1 14 LEU C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -74.46 -59.78 -65.67 -74.50 -59.74 0.04 2 0 "[ . 1]" 100 . 1 15 GLN C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -68.55 -62.13 -64.90 -67.96 -62.10 0.03 6 0 "[ . 1]" 101 . 1 16 ALA C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -70.61 -59.19 -64.73 -65.94 -65.99 . . 0 "[ . 1]" 102 . 1 17 LEU C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -69.67 -59.53 -59.35 -57.19 -58.70 2.34 2 0 "[ . 1]" 103 . 1 18 ARG C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -70.52 -59.28 -61.64 -66.91 -58.85 0.43 5 0 "[ . 1]" 104 . 1 19 ARG C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -71.22 -61.06 -67.14 -70.92 -61.00 0.06 6 0 "[ . 1]" 105 . 1 20 ARG C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -70.94 -59.12 -63.91 -65.99 -61.00 . . 0 "[ . 1]" 106 . 1 21 ASN C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -72.71 -62.33 -64.00 -66.78 -62.10 0.23 10 0 "[ . 1]" 107 . 1 22 GLN C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -69.82 -60.68 -67.42 -67.26 -69.96 2.14 1 0 "[ . 1]" 108 . 1 23 GLU C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -70.92 -58.74 -66.57 -69.65 -62.30 . . 0 "[ . 1]" 109 . 1 24 LEU C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -68.19 -58.05 -58.64 -60.45 -57.19 0.86 10 0 "[ . 1]" 110 . 1 25 LYS C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -70.36 -60.30 -63.76 -68.44 -59.53 0.77 10 0 "[ . 1]" 111 . 1 26 GLN C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -71.27 -60.11 -69.49 -61.91 -67.76 2.01 10 0 "[ . 1]" 112 . 1 27 GLN C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -68.63 -57.89 -67.37 -57.51 -67.33 1.06 5 0 "[ . 1]" 113 . 1 28 VAL C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -67.42 -58.86 -60.07 -63.49 -58.02 0.84 7 0 "[ . 1]" 114 . 1 29 ASP C 1 30 SER N 1 30 SER CA 1 30 SER C -68.91 -60.69 -65.82 -66.88 -69.00 0.71 1 0 "[ . 1]" 115 . 1 30 SER C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -71.97 -59.73 -64.56 -70.33 -58.75 0.98 3 0 "[ . 1]" 116 . 1 31 LEU C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -69.61 -60.95 -61.59 -68.27 -59.65 1.30 8 0 "[ . 1]" 117 . 1 32 LEU C 1 33 SER N 1 33 SER CA 1 33 SER C -70.65 -59.83 -65.16 -71.42 -61.72 0.77 7 0 "[ . 1]" 118 . 1 33 SER C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -73.22 -58.82 -74.44 -66.64 -73.24 3.94 3 0 "[ . 1]" 119 . 1 34 GLU C 1 35 SER N 1 35 SER CA 1 35 SER C -73.36 -60.76 -69.17 -62.14 -65.32 0.30 5 0 "[ . 1]" 120 . 1 35 SER C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -102.55 -69.37 -99.82 -89.41 -96.64 2.08 3 0 "[ . 1]" 121 . 1 37 LEU C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -71.52 -53.66 -69.49 -67.94 -70.74 0.74 10 0 "[ . 1]" 122 . 1 38 LYS C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -75.65 -57.17 -70.84 -67.70 -68.02 0.80 7 0 "[ . 1]" 123 . 1 39 GLU C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -91.99 -64.17 -82.77 -92.38 -74.65 0.39 7 0 "[ . 1]" 124 . 1 42 GLU C 1 43 PRO N 1 43 PRO CA 1 43 PRO C -58.17 -48.19 -50.90 -51.32 -51.66 2.53 8 0 "[ . 1]" 125 . 1 43 PRO C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -74.98 -57.02 -67.90 -73.79 -59.69 . . 0 "[ . 1]" 126 . 1 44 ASN C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -76.44 -63.48 -67.55 -76.35 -61.82 1.66 10 0 "[ . 1]" 127 . 1 45 LYS C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -69.44 -56.54 -58.82 -61.77 -56.42 0.12 4 0 "[ . 1]" 128 . 1 46 ARG C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -70.04 -57.98 -65.75 -66.36 -67.89 0.07 1 0 "[ . 1]" 129 . 1 47 GLN C 1 48 HIS N 1 48 HIS CA 1 48 HIS C -69.33 -60.09 -67.61 -68.07 -69.48 0.79 4 0 "[ . 1]" 130 . 1 48 HIS C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -69.37 -57.41 -65.97 -67.02 -67.56 0.08 7 0 "[ . 1]" 131 . 1 49 ILE C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -67.22 -56.32 -54.80 -58.87 -53.91 2.41 4 0 "[ . 1]" 132 . 1 50 TYR C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -68.82 -58.70 -66.02 -69.64 -62.50 0.82 10 0 "[ . 1]" 133 . 1 51 GLN C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -71.55 -61.61 -64.02 -67.95 -60.75 0.86 3 0 "[ . 1]" 134 . 1 52 ARG C 1 53 CYS N 1 53 CYS CA 1 53 CYS C -67.26 -59.32 -65.27 -57.83 -62.69 1.49 2 0 "[ . 1]" 135 . 1 53 CYS C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -70.93 -58.93 -60.61 -71.04 -58.37 0.56 3 0 "[ . 1]" 136 . 1 54 ILE C 1 55 GLN N 1 55 GLN CA 1 55 GLN C -69.87 -62.03 -62.18 -61.17 -61.81 1.30 7 0 "[ . 1]" 137 . 1 55 GLN C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -70.31 -62.49 -62.06 -70.40 -59.91 2.58 8 0 "[ . 1]" 138 . 1 56 LEU C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -70.00 -56.76 -61.58 -59.18 -61.35 . . 0 "[ . 1]" 139 . 1 57 LYS C 1 58 GLN N 1 58 GLN CA 1 58 GLN C -71.12 -60.30 -64.58 -72.00 -60.24 0.88 2 0 "[ . 1]" 140 . 1 58 GLN C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -72.31 -59.71 -66.92 -67.03 -68.15 . . 0 "[ . 1]" 141 . 1 59 ALA C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -69.53 -59.17 -65.98 -69.19 -63.45 . . 0 "[ . 1]" 142 . 1 60 ILE C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -69.40 -59.90 -61.00 -60.07 -62.58 0.33 8 0 "[ . 1]" 143 . 1 61 ASP C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -70.75 -62.59 -61.78 -62.25 -62.27 1.59 7 0 "[ . 1]" 144 . 1 62 GLU C 1 63 ASN N 1 63 ASN CA 1 63 ASN C -72.11 -62.35 -66.10 -64.18 -64.86 0.10 6 0 "[ . 1]" 145 . 1 63 ASN C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -68.24 -57.12 -58.61 -60.26 -62.11 1.27 2 0 "[ . 1]" 146 . 1 64 LYS C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -69.33 -59.77 -67.20 -69.77 -64.27 0.44 2 0 "[ . 1]" 147 . 1 65 ASN C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -68.31 -59.19 -63.60 -59.13 -61.17 0.06 2 0 "[ . 1]" 148 . 1 66 ALA C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -71.57 -60.99 -64.44 -69.12 -60.81 0.18 1 0 "[ . 1]" 149 . 1 67 LEU C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -77.48 -59.96 -65.46 -76.24 -59.30 0.66 9 0 "[ . 1]" 150 . 1 68 GLN C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -93.44 -71.58 -81.54 -91.84 -74.76 . . 0 "[ . 1]" 151 . 1 72 LYS C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -79.13 -60.41 -73.19 -66.65 -71.38 1.00 5 0 "[ . 1]" 152 . 1 73 ALA C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -99.92 -71.86 -83.23 -101.18 -71.00 1.26 7 0 "[ . 1]" 153 . 1 80 ALA C 1 81 ASN N 1 81 ASN CA 1 81 ASN C -80.18 -56.36 -65.56 -76.96 -58.11 . . 0 "[ . 1]" 154 . 1 81 ASN C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -70.87 -53.29 -62.86 -69.05 -56.96 . . 0 "[ . 1]" 155 . 1 82 TYR C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -71.46 -58.64 -69.97 -71.69 -72.74 1.28 1 0 "[ . 1]" 156 . 1 83 ASN C 1 84 GLN N 1 84 GLN CA 1 84 GLN C -70.03 -59.07 -66.75 -71.37 -60.17 1.34 3 0 "[ . 1]" 157 . 1 84 GLN C 1 85 ARG N 1 85 ARG CA 1 85 ARG C -73.91 -63.67 -65.05 -74.71 -62.59 1.08 3 0 "[ . 1]" 158 . 1 85 ARG C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -70.54 -58.22 -63.62 -56.81 -59.50 1.41 2 0 "[ . 1]" 159 . 1 86 LYS C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -71.57 -60.69 -69.83 -72.09 -72.35 0.93 1 0 "[ . 1]" 160 . 1 87 GLU C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -72.27 -58.05 -62.43 -65.63 -57.38 0.67 3 0 "[ . 1]" 161 . 1 88 GLU C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -73.87 -61.73 -64.81 -65.86 -66.60 0.91 7 0 "[ . 1]" 162 . 1 89 GLU C 1 90 HIS N 1 90 HIS CA 1 90 HIS C -67.82 -58.48 -61.42 -58.29 -58.57 0.19 2 0 "[ . 1]" 163 . 1 90 HIS C 1 91 THR N 1 91 THR CA 1 91 THR C -68.17 -58.21 -62.19 -62.31 -62.51 0.11 8 0 "[ . 1]" 164 . 1 91 THR C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -69.18 -57.94 -68.72 -57.15 -68.34 1.74 6 0 "[ . 1]" 165 . 1 92 LEU C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -70.55 -59.61 -64.87 -67.96 -61.82 . . 0 "[ . 1]" 166 . 1 93 LEU C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -71.47 -60.59 -66.33 -67.57 -68.03 . . 0 "[ . 1]" 167 . 1 94 ASP C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -72.51 -60.85 -64.16 -75.59 -59.29 3.08 2 0 "[ . 1]" 168 . 1 95 LYS C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -70.20 -61.46 -59.78 -65.65 -58.49 2.97 10 0 "[ . 1]" 169 . 1 96 LEU C 1 97 THR N 1 97 THR CA 1 97 THR C -67.30 -59.12 -59.84 -67.39 -58.17 0.95 1 0 "[ . 1]" 170 . 1 97 THR C 1 98 GLN N 1 98 GLN CA 1 98 GLN C -68.32 -60.88 -64.01 -64.47 -66.54 0.26 4 0 "[ . 1]" 171 . 1 98 GLN C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -70.02 -59.62 -62.28 -65.43 -59.23 0.39 1 0 "[ . 1]" 172 . 1 99 GLN C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -73.55 -61.45 -69.85 -74.35 -63.95 0.80 5 0 "[ . 1]" 173 . 1 100 LEU C 1 101 GLN N 1 101 GLN CA 1 101 GLN C -69.17 -61.55 -62.14 -64.91 -60.86 0.69 1 0 "[ . 1]" 174 . 1 101 GLN C 1 102 GLY N 1 102 GLY CA 1 102 GLY C -71.21 -58.63 -66.16 -73.18 -62.07 1.97 2 0 "[ . 1]" 175 . 1 102 GLY C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -70.41 -61.07 -66.22 -70.73 -63.38 0.32 2 0 "[ . 1]" 176 . 1 103 LEU C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -68.92 -54.94 -56.94 -56.22 -57.89 . . 0 "[ . 1]" 177 . 1 104 ALA C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -70.27 -61.69 -66.16 -69.15 -62.03 . . 0 "[ . 1]" 178 . 1 105 VAL C 1 106 THR N 1 106 THR CA 1 106 THR C -74.50 -61.60 -63.52 -66.92 -61.06 0.54 1 0 "[ . 1]" 179 . 1 106 THR C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -79.02 -60.24 -75.21 -79.65 -68.78 0.63 2 0 "[ . 1]" 180 . 1 107 ILE C 1 108 SER N 1 108 SER CA 1 108 SER C -85.52 -62.80 -77.32 -86.50 -63.73 0.98 2 0 "[ . 1]" stop_ save_
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