NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
556564 | 2m09 | 18802 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m09 save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 189 _TA_constraint_stats_list.Viol_count 602 _TA_constraint_stats_list.Viol_total 4030.97 _TA_constraint_stats_list.Viol_max 4.31 _TA_constraint_stats_list.Viol_rms 0.45 _TA_constraint_stats_list.Viol_average_all_restraints 0.21 _TA_constraint_stats_list.Viol_average_violations_only 0.67 _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 5 GLN C 1 6 LYS N 1 6 LYS CA 1 6 LYS C -99.80 -62.60 -78.07 -68.92 -81.10 0.45 2 0 "[ . 1]" 2 . 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 THR N 117.60 143.20 123.06 117.47 117.22 1.40 5 0 "[ . 1]" 3 . 1 6 LYS C 1 7 THR N 1 7 THR CA 1 7 THR C -107.30 -60.70 -80.30 -79.95 -87.82 . . 0 "[ . 1]" 4 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 VAL N 120.00 144.60 123.80 124.18 120.34 3.08 8 0 "[ . 1]" 5 . 1 7 THR C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -124.50 -65.10 -98.43 -100.37 -101.84 3.56 8 0 "[ . 1]" 6 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 ILE N 110.70 151.50 134.79 115.99 152.97 1.47 1 0 "[ . 1]" 7 . 1 8 VAL C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -110.90 -73.30 -102.23 -110.45 -93.22 . . 0 "[ . 1]" 8 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 PRO N 103.30 147.50 110.50 111.46 108.58 0.51 1 0 "[ . 1]" 9 . 1 10 PRO N 1 10 PRO CA 1 10 PRO C 1 11 GLY N 126.90 151.50 137.67 138.44 133.45 . . 0 "[ . 1]" 10 . 1 10 PRO C 1 11 GLY N 1 11 GLY CA 1 11 GLY C 65.80 98.80 96.52 86.77 100.81 2.01 10 0 "[ . 1]" 11 . 1 11 GLY N 1 11 GLY CA 1 11 GLY C 1 12 MET N -24.80 19.40 3.34 -21.54 20.22 0.82 5 0 "[ . 1]" 12 . 1 11 GLY C 1 12 MET N 1 12 MET CA 1 12 MET C -123.30 -76.70 -95.21 -91.39 -106.28 0.11 3 0 "[ . 1]" 13 . 1 12 MET N 1 12 MET CA 1 12 MET C 1 13 PRO N 94.30 155.10 134.32 124.10 101.13 0.38 10 0 "[ . 1]" 14 . 1 13 PRO N 1 13 PRO CA 1 13 PRO C 1 14 THR N 139.30 155.30 140.57 137.05 148.97 2.25 10 0 "[ . 1]" 15 . 1 13 PRO C 1 14 THR N 1 14 THR CA 1 14 THR C -126.00 -77.00 -102.06 -109.35 -120.70 1.97 8 0 "[ . 1]" 16 . 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 VAL N 110.40 143.40 119.29 110.28 110.15 1.40 8 0 "[ . 1]" 17 . 1 14 THR C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -115.40 -66.20 -96.90 -93.34 -97.00 0.04 6 0 "[ . 1]" 18 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 ILE N 110.90 151.10 123.94 126.26 116.83 0.79 8 0 "[ . 1]" 19 . 1 15 VAL C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -110.60 -69.20 -82.40 -106.10 -68.60 0.60 4 0 "[ . 1]" 20 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 PRO N 118.70 154.50 121.78 117.84 128.21 0.86 7 0 "[ . 1]" 21 . 1 17 PRO N 1 17 PRO CA 1 17 PRO C 1 18 PRO N 133.40 156.80 142.95 142.67 140.68 . . 0 "[ . 1]" 22 . 1 18 PRO C 1 19 GLY N 1 19 GLY CA 1 19 GLY C 52.30 96.90 95.84 86.92 97.85 0.95 8 0 "[ . 1]" 23 . 1 19 GLY N 1 19 GLY CA 1 19 GLY C 1 20 LEU N -10.60 39.60 3.74 -5.25 14.76 . . 0 "[ . 1]" 24 . 1 19 GLY C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -88.90 -67.50 -89.53 -90.01 -90.35 1.45 1 0 "[ . 1]" 25 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 THR N 96.00 159.80 153.95 149.63 160.24 0.44 5 0 "[ . 1]" 26 . 1 20 LEU C 1 21 THR N 1 21 THR CA 1 21 THR C -102.60 -70.80 -92.33 -98.34 -87.14 . . 0 "[ . 1]" 27 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 ARG N 160.90 173.10 165.57 172.74 167.83 . . 0 "[ . 1]" 28 . 1 21 THR C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -63.40 -57.20 -59.77 -63.30 -56.76 0.44 10 0 "[ . 1]" 29 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 GLU N -44.10 -32.50 -33.62 -38.51 -31.49 1.01 4 0 "[ . 1]" 30 . 1 22 ARG C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -72.10 -59.10 -69.96 -70.77 -72.29 0.62 3 0 "[ . 1]" 31 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 GLN N -46.70 -36.10 -43.35 -44.41 -45.06 . . 0 "[ . 1]" 32 . 1 23 GLU C 1 24 GLN N 1 24 GLN CA 1 24 GLN C -73.70 -60.50 -70.59 -73.70 -67.50 . . 0 "[ . 1]" 33 . 1 24 GLN N 1 24 GLN CA 1 24 GLN C 1 25 GLU N -47.40 -31.40 -36.67 -42.17 -31.55 . . 0 "[ . 1]" 34 . 1 24 GLN C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -66.20 -59.20 -60.20 -61.70 -58.96 0.24 1 0 "[ . 1]" 35 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 ARG N -50.60 -37.40 -50.00 -49.82 -50.56 0.57 6 0 "[ . 1]" 36 . 1 25 GLU C 1 26 ARG N 1 26 ARG CA 1 26 ARG C -69.20 -59.80 -61.21 -64.52 -59.28 0.52 3 0 "[ . 1]" 37 . 1 26 ARG N 1 26 ARG CA 1 26 ARG C 1 27 ALA N -46.70 -29.30 -41.05 -39.60 -40.86 . . 0 "[ . 1]" 38 . 1 26 ARG C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -69.80 -59.00 -58.44 -58.88 -58.04 0.96 4 0 "[ . 1]" 39 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 TYR N -42.80 -31.60 -43.07 -43.49 -42.24 0.69 10 0 "[ . 1]" 40 . 1 27 ALA C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -67.40 -60.20 -66.70 -68.17 -64.44 0.77 3 0 "[ . 1]" 41 . 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 ILE N -48.90 -41.70 -47.24 -49.64 -44.01 0.74 5 0 "[ . 1]" 42 . 1 28 TYR C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -70.50 -60.50 -64.02 -66.32 -60.71 . . 0 "[ . 1]" 43 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 VAL N -48.50 -33.50 -45.97 -45.45 -47.26 0.40 6 0 "[ . 1]" 44 . 1 29 ILE C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -69.30 -60.30 -65.19 -67.98 -61.16 . . 0 "[ . 1]" 45 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 GLN N -45.70 -33.30 -38.31 -43.50 -35.80 . . 0 "[ . 1]" 46 . 1 30 VAL C 1 31 GLN N 1 31 GLN CA 1 31 GLN C -64.30 -56.90 -59.56 -57.37 -59.00 0.21 10 0 "[ . 1]" 47 . 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 LEU N -49.70 -39.90 -42.69 -42.54 -43.45 0.69 4 0 "[ . 1]" 48 . 1 31 GLN C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -65.30 -56.90 -62.17 -63.12 -65.42 0.16 1 0 "[ . 1]" 49 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 GLN N -45.20 -39.80 -39.54 -39.38 -43.39 1.13 7 0 "[ . 1]" 50 . 1 32 LEU C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -68.20 -64.80 -68.79 -69.90 -65.34 1.70 8 0 "[ . 1]" 51 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 ILE N -48.10 -39.10 -39.61 -43.15 -37.98 1.12 3 0 "[ . 1]" 52 . 1 33 GLN C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -68.80 -58.20 -59.82 -61.42 -58.10 0.10 9 0 "[ . 1]" 53 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 GLU N -46.40 -36.20 -46.21 -46.94 -47.07 0.67 1 0 "[ . 1]" 54 . 1 34 ILE C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -70.10 -60.30 -67.78 -68.84 -66.26 . . 0 "[ . 1]" 55 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 ASP N -46.10 -37.70 -37.26 -37.59 -40.03 1.40 3 0 "[ . 1]" 56 . 1 35 GLU C 1 36 ASP N 1 36 ASP CA 1 36 ASP C -71.20 -60.20 -61.72 -62.48 -69.30 1.27 3 0 "[ . 1]" 57 . 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 LEU N -46.00 -36.00 -45.13 -47.07 -36.13 1.07 9 0 "[ . 1]" 58 . 1 36 ASP C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -65.50 -57.30 -64.26 -61.86 -62.98 0.27 9 0 "[ . 1]" 59 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 THR N -49.50 -35.10 -49.56 -51.28 -45.27 1.78 5 0 "[ . 1]" 60 . 1 37 LEU C 1 38 THR N 1 38 THR CA 1 38 THR C -76.50 -58.90 -64.61 -64.78 -65.48 . . 0 "[ . 1]" 61 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 ARG N -49.50 -35.90 -36.67 -40.25 -34.50 1.40 6 0 "[ . 1]" 62 . 1 38 THR C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -70.00 -58.20 -56.93 -57.68 -56.12 2.08 7 0 "[ . 1]" 63 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 LYS N -44.90 -36.30 -42.99 -45.57 -40.22 0.67 2 0 "[ . 1]" 64 . 1 39 ARG C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -68.50 -61.30 -64.70 -68.96 -61.41 0.46 7 0 "[ . 1]" 65 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 LEU N -47.40 -38.60 -48.13 -47.86 -47.91 1.82 8 0 "[ . 1]" 66 . 1 40 LYS C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -71.30 -62.30 -72.02 -72.60 -71.58 1.30 9 0 "[ . 1]" 67 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ARG N -45.20 -21.00 -23.62 -23.20 -26.53 0.43 6 0 "[ . 1]" 68 . 1 41 LEU C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -79.90 -60.10 -74.66 -81.43 -67.47 1.53 5 0 "[ . 1]" 69 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 THR N -46.80 -35.60 -47.17 -49.59 -41.67 2.79 9 0 "[ . 1]" 70 . 1 42 ARG C 1 43 THR N 1 43 THR CA 1 43 THR C -105.00 -82.60 -97.96 -98.20 -105.02 1.41 9 0 "[ . 1]" 71 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 GLY N -21.80 15.60 -19.59 -13.87 -16.92 1.18 10 0 "[ . 1]" 72 . 1 43 THR C 1 44 GLY N 1 44 GLY CA 1 44 GLY C 76.00 102.20 89.54 80.70 97.85 . . 0 "[ . 1]" 73 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 ASP N -0.20 29.20 19.92 7.39 29.45 0.25 9 0 "[ . 1]" 74 . 1 45 ASP C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -105.00 -67.00 -99.30 -101.19 -102.99 0.61 1 0 "[ . 1]" 75 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 GLY N -42.60 4.60 -35.02 -27.72 -35.81 1.61 10 0 "[ . 1]" 76 . 1 46 LEU C 1 47 GLY N 1 47 GLY CA 1 47 GLY C 73.60 91.00 76.93 75.42 73.95 0.33 1 0 "[ . 1]" 77 . 1 47 GLY N 1 47 GLY CA 1 47 GLY C 1 48 ILE N -6.00 23.00 11.24 19.08 13.00 0.15 6 0 "[ . 1]" 78 . 1 47 GLY C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -113.10 -75.30 -106.54 -113.54 -113.60 1.13 7 0 "[ . 1]" 79 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 PRO N 104.40 149.00 114.45 109.03 107.84 0.19 10 0 "[ . 1]" 80 . 1 49 PRO N 1 49 PRO CA 1 49 PRO C 1 50 PRO N 133.40 153.00 144.96 150.88 146.81 0.59 6 0 "[ . 1]" 81 . 1 50 PRO N 1 50 PRO CA 1 50 PRO C 1 51 ASN N 143.60 158.60 146.06 141.52 158.70 2.08 2 0 "[ . 1]" 82 . 1 50 PRO C 1 51 ASN N 1 51 ASN CA 1 51 ASN C -111.30 -68.30 -90.21 -111.78 -69.21 0.48 3 0 "[ . 1]" 83 . 1 51 ASN N 1 51 ASN CA 1 51 ASN C 1 52 PRO N 96.50 160.90 136.04 125.29 147.42 . . 0 "[ . 1]" 84 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 GLU N -35.10 -19.70 -25.24 -33.81 -18.72 0.98 6 0 "[ . 1]" 85 . 1 52 PRO C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -93.90 -62.50 -79.20 -91.27 -69.80 . . 0 "[ . 1]" 86 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ASP N -26.60 5.20 -9.82 -8.51 -13.37 . . 0 "[ . 1]" 87 . 1 53 GLU C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -111.70 -68.70 -76.95 -102.63 -67.79 0.91 8 0 "[ . 1]" 88 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 ARG N -31.30 6.70 -16.29 -11.25 -18.09 1.56 8 0 "[ . 1]" 89 . 1 55 ARG C 1 56 SER N 1 56 SER CA 1 56 SER C -109.10 -61.70 -80.02 -104.00 -61.05 0.65 3 0 "[ . 1]" 90 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 PRO N 100.00 145.00 134.67 111.56 147.40 2.40 7 0 "[ . 1]" 91 . 1 57 PRO N 1 57 PRO CA 1 57 PRO C 1 58 SER N 139.50 157.70 142.56 142.77 139.23 4.31 1 0 "[ . 1]" 92 . 1 57 PRO C 1 58 SER N 1 58 SER CA 1 58 SER C -115.70 -66.30 -91.87 -116.28 -117.44 1.74 1 0 "[ . 1]" 93 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 PRO N 95.60 160.20 141.01 161.32 160.42 1.12 2 0 "[ . 1]" 94 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 GLU N 139.60 157.00 148.38 139.44 158.78 1.78 4 0 "[ . 1]" 95 . 1 59 PRO C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -116.00 -66.60 -77.80 -73.88 -79.38 1.00 4 0 "[ . 1]" 96 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 PRO N 97.00 165.60 130.86 113.84 151.66 . . 0 "[ . 1]" 97 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 ILE N 136.70 158.90 148.55 159.08 148.90 3.62 5 0 "[ . 1]" 98 . 1 61 PRO C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -124.00 -80.60 -80.33 -83.05 -77.31 3.29 5 0 "[ . 1]" 99 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 TYR N 111.10 153.10 150.07 138.48 154.37 1.27 9 0 "[ . 1]" 100 . 1 62 ILE C 1 63 TYR N 1 63 TYR CA 1 63 TYR C -122.30 -67.10 -83.22 -106.00 -67.63 . . 0 "[ . 1]" 101 . 1 63 TYR N 1 63 TYR CA 1 63 TYR C 1 64 ASN N 136.60 154.60 147.22 139.48 154.68 0.08 1 0 "[ . 1]" 102 . 1 63 TYR C 1 64 ASN N 1 64 ASN CA 1 64 ASN C -112.40 -60.20 -77.01 -70.16 -75.72 . . 0 "[ . 1]" 103 . 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 SER N 117.40 174.20 164.44 155.18 174.20 . . 0 "[ . 1]" 104 . 1 64 ASN C 1 65 SER N 1 65 SER CA 1 65 SER C -70.10 -52.90 -60.30 -52.70 -57.42 0.62 4 0 "[ . 1]" 105 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 GLU N -37.80 -12.20 -24.25 -31.37 -16.83 . . 0 "[ . 1]" 106 . 1 65 SER C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -111.40 -81.80 -83.41 -88.63 -81.03 0.77 1 0 "[ . 1]" 107 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 GLY N -11.60 13.00 0.19 7.33 2.24 0.13 9 0 "[ . 1]" 108 . 1 66 GLU C 1 67 GLY N 1 67 GLY CA 1 67 GLY C 72.80 102.60 85.77 76.70 97.88 . . 0 "[ . 1]" 109 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 LYS N -5.60 32.20 16.73 17.51 1.03 0.59 6 0 "[ . 1]" 110 . 1 70 LEU C 1 71 ASN N 1 71 ASN CA 1 71 ASN C -128.90 -76.50 -92.98 -76.86 -81.61 2.25 4 0 "[ . 1]" 111 . 1 71 ASN N 1 71 ASN CA 1 71 ASN C 1 72 THR N 98.00 145.40 143.86 119.04 147.85 2.45 9 0 "[ . 1]" 112 . 1 72 THR C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -79.50 -54.90 -72.87 -74.99 -79.39 0.39 3 0 "[ . 1]" 113 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 GLU N -51.60 -4.20 -40.72 -38.30 -39.31 0.46 9 0 "[ . 1]" 114 . 1 73 ARG C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -70.10 -59.50 -61.25 -61.55 -62.56 1.50 6 0 "[ . 1]" 115 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 PHE N -50.30 -34.90 -48.05 -51.54 -41.78 1.24 2 0 "[ . 1]" 116 . 1 74 GLU C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -67.90 -61.30 -67.50 -69.18 -63.52 1.28 4 0 "[ . 1]" 117 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 ARG N -46.80 -38.80 -41.22 -38.46 -38.64 1.19 7 0 "[ . 1]" 118 . 1 75 PHE C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -72.40 -60.80 -60.94 -66.46 -59.29 1.51 7 0 "[ . 1]" 119 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 THR N -47.10 -23.50 -44.34 -47.59 -36.62 0.49 7 0 "[ . 1]" 120 . 1 76 ARG C 1 77 THR N 1 77 THR CA 1 77 THR C -87.90 -53.30 -68.30 -75.17 -60.13 . . 0 "[ . 1]" 121 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 ARG N -49.90 -25.90 -49.79 -51.19 -45.84 1.29 4 0 "[ . 1]" 122 . 1 77 THR C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -66.90 -57.50 -64.10 -64.28 -65.42 0.83 10 0 "[ . 1]" 123 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 LYS N -49.00 -38.20 -43.45 -48.92 -37.94 0.26 3 0 "[ . 1]" 124 . 1 78 ARG C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -64.70 -55.50 -63.96 -65.42 -65.55 0.85 1 0 "[ . 1]" 125 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 LYS N -49.60 -40.20 -39.81 -38.90 -39.14 1.60 2 0 "[ . 1]" 126 . 1 79 LYS C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -67.70 -59.50 -59.97 -59.36 -60.60 0.68 10 0 "[ . 1]" 127 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 LEU N -47.70 -36.90 -39.26 -39.17 -39.79 0.14 6 0 "[ . 1]" 128 . 1 80 LYS C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -69.40 -59.40 -64.20 -60.34 -62.93 . . 0 "[ . 1]" 129 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 GLU N -42.70 -32.50 -42.85 -43.51 -40.96 0.81 9 0 "[ . 1]" 130 . 1 81 LEU C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -69.90 -59.50 -64.30 -67.99 -60.47 . . 0 "[ . 1]" 131 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 GLU N -45.30 -33.50 -37.40 -45.25 -33.20 0.30 5 0 "[ . 1]" 132 . 1 82 GLU C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -72.30 -60.90 -66.40 -64.36 -66.64 0.33 3 0 "[ . 1]" 133 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 GLU N -50.50 -34.50 -41.86 -50.91 -34.70 0.41 4 0 "[ . 1]" 134 . 1 83 GLU C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -69.60 -58.00 -62.75 -60.95 -62.55 . . 0 "[ . 1]" 135 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 ARG N -52.70 -36.50 -43.12 -46.13 -48.61 . . 0 "[ . 1]" 136 . 1 84 GLU C 1 85 ARG N 1 85 ARG CA 1 85 ARG C -68.10 -61.10 -61.62 -61.45 -61.56 0.40 8 0 "[ . 1]" 137 . 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 HIS N -44.40 -34.40 -45.31 -45.03 -45.16 1.83 6 0 "[ . 1]" 138 . 1 85 ARG C 1 86 HIS N 1 86 HIS CA 1 86 HIS C -69.00 -60.20 -62.29 -64.11 -60.01 0.20 7 0 "[ . 1]" 139 . 1 86 HIS N 1 86 HIS CA 1 86 HIS C 1 87 ASN N -45.50 -40.10 -41.24 -44.45 -37.84 2.26 1 0 "[ . 1]" 140 . 1 86 HIS C 1 87 ASN N 1 87 ASN CA 1 87 ASN C -73.80 -60.20 -60.26 -62.11 -58.08 2.12 1 0 "[ . 1]" 141 . 1 87 ASN N 1 87 ASN CA 1 87 ASN C 1 88 LEU N -43.30 -32.30 -42.79 -41.70 -42.43 1.17 7 0 "[ . 1]" 142 . 1 87 ASN C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -71.10 -61.10 -70.80 -71.88 -71.92 0.82 1 0 "[ . 1]" 143 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 ILE N -46.80 -34.00 -39.25 -38.45 -38.65 . . 0 "[ . 1]" 144 . 1 88 LEU C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -66.70 -57.90 -57.38 -57.28 -57.41 0.81 10 0 "[ . 1]" 145 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 THR N -48.80 -38.20 -49.66 -50.06 -50.46 1.84 8 0 "[ . 1]" 146 . 1 89 ILE C 1 90 THR N 1 90 THR CA 1 90 THR C -65.00 -59.40 -61.46 -65.19 -59.09 0.31 9 0 "[ . 1]" 147 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 GLU N -43.10 -35.10 -38.34 -37.08 -39.26 0.18 8 0 "[ . 1]" 148 . 1 90 THR C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -71.10 -60.50 -69.81 -71.48 -65.62 0.38 6 0 "[ . 1]" 149 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 MET N -49.60 -41.40 -47.92 -48.34 -49.64 0.12 3 0 "[ . 1]" 150 . 1 91 GLU C 1 92 MET N 1 92 MET CA 1 92 MET C -70.60 -57.40 -65.55 -69.69 -60.33 . . 0 "[ . 1]" 151 . 1 92 MET N 1 92 MET CA 1 92 MET C 1 93 VAL N -46.00 -33.00 -38.88 -36.80 -37.26 . . 0 "[ . 1]" 152 . 1 92 MET C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -67.60 -62.00 -62.97 -64.27 -65.39 0.65 4 0 "[ . 1]" 153 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ALA N -48.20 -34.80 -34.99 -35.01 -36.98 0.91 9 0 "[ . 1]" 154 . 1 93 VAL C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -73.20 -56.60 -71.90 -74.02 -68.52 0.82 8 0 "[ . 1]" 155 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 LEU N -47.90 -20.10 -39.81 -35.53 -38.05 . . 0 "[ . 1]" 156 . 1 94 ALA C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -89.90 -66.30 -71.22 -81.23 -65.97 0.33 9 0 "[ . 1]" 157 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 ASN N -48.50 -3.30 -44.21 -49.02 -37.21 0.52 9 0 "[ . 1]" 158 . 1 95 LEU C 1 96 ASN N 1 96 ASN CA 1 96 ASN C -145.00 -102.40 -129.24 -129.44 -131.16 . . 0 "[ . 1]" 159 . 1 96 ASN N 1 96 ASN CA 1 96 ASN C 1 97 PRO N 60.70 121.70 113.00 108.17 118.97 . . 0 "[ . 1]" 160 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 ASP N -23.80 -15.20 -16.84 -19.19 -22.45 1.16 3 0 "[ . 1]" 161 . 1 97 PRO C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -95.30 -82.30 -90.58 -86.86 -87.43 . . 0 "[ . 1]" 162 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 PHE N -10.30 8.30 1.93 -6.07 9.02 0.72 6 0 "[ . 1]" 163 . 1 98 ASP C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -117.90 -66.50 -69.29 -77.83 -65.25 1.25 1 0 "[ . 1]" 164 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 LYS N 116.80 144.60 127.85 121.06 134.52 . . 0 "[ . 1]" 165 . 1 99 PHE C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -125.90 -91.30 -105.40 -100.35 -105.09 . . 0 "[ . 1]" 166 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 PRO N 104.90 146.70 110.99 105.82 114.72 . . 0 "[ . 1]" 167 . 1 101 PRO N 1 101 PRO CA 1 101 PRO C 1 102 PRO N 144.70 163.70 154.09 144.43 163.83 0.27 5 0 "[ . 1]" 168 . 1 102 PRO N 1 102 PRO CA 1 102 PRO C 1 103 ALA N 135.00 154.00 154.18 151.62 155.80 1.80 4 0 "[ . 1]" 169 . 1 102 PRO C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -67.90 -53.10 -66.00 -68.58 -56.11 0.68 8 0 "[ . 1]" 170 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 ASP N -39.50 -12.30 -21.47 -20.13 -29.64 . . 0 "[ . 1]" 171 . 1 103 ALA C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -105.50 -82.30 -82.14 -81.70 -81.75 1.56 6 0 "[ . 1]" 172 . 1 104 ASP N 1 104 ASP CA 1 104 ASP C 1 105 TYR N -14.90 16.10 -10.16 -11.43 -12.67 1.78 5 0 "[ . 1]" 173 . 1 104 ASP C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -135.60 -70.40 -78.27 -90.76 -69.14 1.26 10 0 "[ . 1]" 174 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 LYS N 115.10 140.30 126.90 119.74 140.69 0.39 1 0 "[ . 1]" 175 . 1 105 TYR C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -132.10 -85.90 -114.69 -127.43 -131.18 . . 0 "[ . 1]" 176 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 PRO N 111.10 149.50 123.57 110.76 138.02 0.34 3 0 "[ . 1]" 177 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 PRO N 144.90 163.90 152.22 142.90 163.97 2.00 2 0 "[ . 1]" 178 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 ALA N 139.00 160.20 145.45 141.28 140.36 1.61 6 0 "[ . 1]" 179 . 1 113 SER C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -100.00 -60.00 -79.20 -95.09 -59.84 0.16 7 0 "[ . 1]" 180 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 LYS N -44.50 -5.10 -31.18 -45.03 -10.37 0.53 8 0 "[ . 1]" 181 . 1 115 LYS C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -114.30 -59.90 -102.52 -88.47 -92.00 0.23 8 0 "[ . 1]" 182 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 MET N 115.20 149.80 129.77 116.80 115.05 0.67 7 0 "[ . 1]" 183 . 1 116 VAL C 1 117 MET N 1 117 MET CA 1 117 MET C -130.40 -71.80 -96.16 -96.43 -97.72 0.89 5 0 "[ . 1]" 184 . 1 117 MET N 1 117 MET CA 1 117 MET C 1 118 ILE N 101.00 156.40 120.53 130.64 123.17 0.39 1 0 "[ . 1]" 185 . 1 117 MET C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -129.00 -74.20 -99.28 -125.29 -73.79 0.41 7 0 "[ . 1]" 186 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 PRO N 110.40 153.80 116.80 108.04 135.80 2.36 3 0 "[ . 1]" 187 . 1 119 PRO N 1 119 PRO CA 1 119 PRO C 1 120 GLN N 137.80 158.00 148.96 137.35 158.79 0.79 5 0 "[ . 1]" 188 . 1 119 PRO C 1 120 GLN N 1 120 GLN CA 1 120 GLN C -127.00 -86.00 -98.69 -104.13 -126.61 1.39 5 0 "[ . 1]" 189 . 1 120 GLN N 1 120 GLN CA 1 120 GLN C 1 121 ASP N 112.20 141.40 126.06 110.63 142.25 1.57 8 0 "[ . 1]" stop_ save_
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