NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
627532 | 5xir | 36078 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5xir save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 226 _TA_constraint_stats_list.Viol_count 284 _TA_constraint_stats_list.Viol_total 2651.47 _TA_constraint_stats_list.Viol_max 4.71 _TA_constraint_stats_list.Viol_rms 0.45 _TA_constraint_stats_list.Viol_average_all_restraints 0.12 _TA_constraint_stats_list.Viol_average_violations_only 0.93 _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 16 ASP C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -163.90 -103.90 -126.72 -139.26 -101.60 2.30 4 0 "[ . 1]" 2 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 ALA N 124.60 -175.40 142.40 122.81 157.36 1.79 2 0 "[ . 1]" 3 . 1 17 VAL C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -128.80 -68.80 -79.73 -107.11 -67.94 0.86 9 0 "[ . 1]" 4 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 PRO N 112.30 172.30 125.98 149.74 137.85 0.71 5 0 "[ . 1]" 5 . 1 19 PRO C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -165.40 -105.40 -127.28 -129.63 -132.12 . . 0 "[ . 1]" 6 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 SER N 122.80 -177.20 171.89 -176.81 -176.98 1.13 3 0 "[ . 1]" 7 . 1 20 LEU C 1 21 SER N 1 21 SER CA 1 21 SER C -136.90 -76.90 -82.51 -76.82 -78.66 0.26 3 0 "[ . 1]" 8 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 LEU N 106.10 166.10 153.84 134.02 162.36 . . 0 "[ . 1]" 9 . 1 21 SER C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -159.80 -99.80 -122.04 -130.46 -140.04 0.38 6 0 "[ . 1]" 10 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 GLY N 124.80 -175.20 140.69 136.82 130.79 . . 0 "[ . 1]" 11 . 1 23 GLY C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -156.40 -96.40 -125.04 -120.34 -120.49 . . 0 "[ . 1]" 12 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 GLU N 117.20 177.20 176.46 172.99 179.95 2.75 3 0 "[ . 1]" 13 . 1 24 LEU C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -155.70 -95.70 -98.74 -95.61 -99.81 3.60 3 0 "[ . 1]" 14 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 THR N 96.70 156.70 148.75 154.41 151.46 0.27 3 0 "[ . 1]" 15 . 1 26 THR C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -111.40 -51.40 -53.37 -51.17 -51.67 0.71 3 0 "[ . 1]" 16 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 GLY N 109.80 169.80 124.39 109.51 137.91 0.29 5 0 "[ . 1]" 17 . 1 29 GLY C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -130.80 -70.80 -97.23 -103.76 -106.78 . . 0 "[ . 1]" 18 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 MET N 106.70 166.70 142.14 132.97 131.95 . . 0 "[ . 1]" 19 . 1 30 VAL C 1 31 MET N 1 31 MET CA 1 31 MET C -132.80 -72.80 -84.36 -107.43 -71.76 1.04 6 0 "[ . 1]" 20 . 1 31 MET N 1 31 MET CA 1 31 MET C 1 32 THR N 96.20 156.20 129.36 112.87 145.46 . . 0 "[ . 1]" 21 . 1 31 MET C 1 32 THR N 1 32 THR CA 1 32 THR C -139.60 -79.60 -121.25 -124.24 -126.57 1.06 9 0 "[ . 1]" 22 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 ALA N 104.20 164.20 109.50 104.21 103.97 0.33 1 0 "[ . 1]" 23 . 1 33 ALA C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -124.20 -64.20 -94.18 -122.48 -76.55 . . 0 "[ . 1]" 24 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 ILE N -63.10 -3.10 -26.36 -42.33 -54.87 . . 0 "[ . 1]" 25 . 1 35 ILE C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -121.90 -61.90 -84.87 -108.93 -110.11 . . 0 "[ . 1]" 26 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 ARG N 103.90 163.90 150.96 142.93 162.29 . . 0 "[ . 1]" 27 . 1 37 ARG C 1 38 ASN N 1 38 ASN CA 1 38 ASN C 29.70 89.70 69.06 62.76 74.08 . . 0 "[ . 1]" 28 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 SER N 4.60 64.60 7.24 9.30 8.76 1.55 7 0 "[ . 1]" 29 . 1 39 SER C 1 40 THR N 1 40 THR CA 1 40 THR C -121.00 -61.00 -111.64 -121.85 -98.12 0.85 5 0 "[ . 1]" 30 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 ILE N -57.70 2.30 -48.45 -54.63 -58.43 1.24 9 0 "[ . 1]" 31 . 1 40 THR C 1 41 ILE N 1 41 ILE CA 1 41 ILE C -162.40 -102.40 -138.32 -121.95 -132.75 . . 0 "[ . 1]" 32 . 1 41 ILE N 1 41 ILE CA 1 41 ILE C 1 42 PRO N 115.70 175.70 142.37 128.24 152.92 . . 0 "[ . 1]" 33 . 1 42 PRO C 1 43 THR N 1 43 THR CA 1 43 THR C -161.90 -101.90 -150.88 -157.38 -161.93 0.52 6 0 "[ . 1]" 34 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 LYS N 115.20 175.20 144.41 153.78 152.78 0.29 5 0 "[ . 1]" 35 . 1 43 THR C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -142.40 -82.40 -140.65 -141.78 -142.52 0.78 7 0 "[ . 1]" 36 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 GLN N 103.10 163.10 119.48 127.81 125.43 0.09 4 0 "[ . 1]" 37 . 1 44 LYS C 1 45 GLN N 1 45 GLN CA 1 45 GLN C -153.60 -93.60 -114.45 -93.16 -110.05 0.55 2 0 "[ . 1]" 38 . 1 45 GLN N 1 45 GLN CA 1 45 GLN C 1 46 THR N 102.00 162.00 135.51 143.29 142.01 . . 0 "[ . 1]" 39 . 1 45 GLN C 1 46 THR N 1 46 THR CA 1 46 THR C -145.30 -85.30 -133.67 -146.20 -107.94 0.90 2 0 "[ . 1]" 40 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 GLN N 99.20 159.20 115.90 103.19 138.27 . . 0 "[ . 1]" 41 . 1 46 THR C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -158.00 -98.00 -137.28 -145.55 -149.31 . . 0 "[ . 1]" 42 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 ILE N 113.70 173.70 152.41 149.73 146.93 . . 0 "[ . 1]" 43 . 1 47 GLN C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -134.50 -74.50 -98.65 -93.32 -98.56 . . 0 "[ . 1]" 44 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 PHE N 95.70 155.70 123.05 126.37 124.73 . . 0 "[ . 1]" 45 . 1 48 ILE C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -159.90 -99.90 -115.78 -143.89 -98.70 1.20 1 0 "[ . 1]" 46 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 THR N 119.90 179.90 141.60 147.59 130.02 1.40 9 0 "[ . 1]" 47 . 1 49 PHE C 1 50 THR N 1 50 THR CA 1 50 THR C -162.30 -102.30 -133.50 -162.37 -101.95 0.35 5 0 "[ . 1]" 48 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 THR N 120.40 -179.60 147.59 140.54 128.11 0.04 1 0 "[ . 1]" 49 . 1 52 TYR C 1 53 SER N 1 53 SER CA 1 53 SER C -146.40 -86.40 -139.70 -147.94 -147.96 2.98 6 0 "[ . 1]" 50 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 ASP N 122.50 -177.50 130.72 121.22 120.97 4.26 7 0 "[ . 1]" 51 . 1 53 SER C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -109.30 -49.30 -96.22 -113.11 -51.54 3.81 7 0 "[ . 1]" 52 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 ASN N -53.80 6.20 -49.37 -57.35 -33.10 3.55 9 0 "[ . 1]" 53 . 1 54 ASP C 1 55 ASN N 1 55 ASN CA 1 55 ASN C 40.30 100.30 63.34 58.17 45.65 . . 0 "[ . 1]" 54 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 GLN N -5.20 54.80 15.58 -5.57 56.74 1.94 5 0 "[ . 1]" 55 . 1 55 ASN C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -120.90 -60.90 -101.95 -123.89 -74.88 2.99 6 0 "[ . 1]" 56 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 PRO N 102.80 162.80 159.57 162.27 160.76 1.31 8 0 "[ . 1]" 57 . 1 58 GLY C 1 59 VAL N 1 59 VAL CA 1 59 VAL C 176.40 -123.60 -138.29 -178.21 -121.25 2.35 5 0 "[ . 1]" 58 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 LEU N 136.20 -163.80 144.27 135.08 159.34 1.12 4 0 "[ . 1]" 59 . 1 59 VAL C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -136.70 -76.70 -100.26 -91.49 -105.17 . . 0 "[ . 1]" 60 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ILE N 87.40 147.40 111.63 89.01 130.12 . . 0 "[ . 1]" 61 . 1 60 LEU C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -135.40 -75.40 -111.93 -105.06 -113.37 . . 0 "[ . 1]" 62 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 GLN N 91.70 151.70 113.76 111.20 109.87 . . 0 "[ . 1]" 63 . 1 61 ILE C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -149.70 -89.70 -111.84 -121.90 -96.14 . . 0 "[ . 1]" 64 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 VAL N 96.90 156.90 116.44 116.24 107.60 . . 0 "[ . 1]" 65 . 1 62 GLN C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -138.30 -78.30 -91.56 -100.69 -80.06 . . 0 "[ . 1]" 66 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 TYR N 97.20 157.20 112.72 101.26 98.18 . . 0 "[ . 1]" 67 . 1 63 VAL C 1 64 TYR N 1 64 TYR CA 1 64 TYR C -156.70 -96.70 -119.41 -148.60 -96.67 0.03 9 0 "[ . 1]" 68 . 1 64 TYR N 1 64 TYR CA 1 64 TYR C 1 65 GLU N 126.70 -173.30 155.63 148.29 143.27 . . 0 "[ . 1]" 69 . 1 64 TYR C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -160.90 -100.90 -111.04 -127.26 -100.61 0.29 3 0 "[ . 1]" 70 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 GLY N 111.50 171.50 135.54 147.34 146.31 . . 0 "[ . 1]" 71 . 1 66 GLY C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -161.20 -101.20 -134.35 -132.51 -145.00 1.40 4 0 "[ . 1]" 72 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 ARG N 129.20 -170.80 128.11 135.35 128.57 4.71 1 0 "[ . 1]" 73 . 1 68 ARG C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -89.50 -29.50 -77.37 -84.75 -87.35 0.30 1 0 "[ . 1]" 74 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 MET N -53.60 6.40 -38.94 -54.61 -14.28 1.01 2 0 "[ . 1]" 75 . 1 70 MET C 1 71 THR N 1 71 THR CA 1 71 THR C -87.60 -27.60 -68.69 -73.42 -81.78 . . 0 "[ . 1]" 76 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 LYS N -65.10 -5.10 -26.93 -43.40 -5.03 0.07 1 0 "[ . 1]" 77 . 1 71 THR C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -94.10 -34.10 -72.99 -77.24 -77.62 . . 0 "[ . 1]" 78 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 ASP N -56.20 3.80 -9.67 -9.89 -18.33 1.20 7 0 "[ . 1]" 79 . 1 72 LYS C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -121.70 -61.70 -94.33 -108.03 -82.25 . . 0 "[ . 1]" 80 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 ASN N -38.50 21.50 -5.99 -26.92 21.62 0.12 1 0 "[ . 1]" 81 . 1 74 ASN C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -158.00 -98.00 -99.88 -103.61 -112.27 1.62 9 0 "[ . 1]" 82 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 LEU N 97.40 157.40 139.86 132.82 127.53 0.47 10 0 "[ . 1]" 83 . 1 75 ASN C 1 76 LEU N 1 76 LEU CA 1 76 LEU C -122.90 -62.90 -83.12 -95.05 -67.99 . . 0 "[ . 1]" 84 . 1 76 LEU N 1 76 LEU CA 1 76 LEU C 1 77 LEU N 91.10 151.10 134.49 139.60 137.41 . . 0 "[ . 1]" 85 . 1 78 GLY C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -164.40 -104.40 -140.56 -155.62 -127.72 . . 0 "[ . 1]" 86 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 PHE N 124.40 -175.60 142.84 158.79 152.06 0.83 9 0 "[ . 1]" 87 . 1 79 ARG C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -176.20 -116.20 -148.82 -163.83 -125.49 . . 0 "[ . 1]" 88 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 GLU N 124.00 -176.00 153.15 150.39 141.62 0.65 8 0 "[ . 1]" 89 . 1 80 PHE C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -149.90 -89.90 -125.43 -110.42 -129.97 0.48 6 0 "[ . 1]" 90 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 LEU N 100.10 160.10 149.50 117.12 161.37 1.27 3 0 "[ . 1]" 91 . 1 81 GLU C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -147.60 -87.60 -108.17 -89.82 -98.99 0.87 9 0 "[ . 1]" 92 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 SER N 95.70 155.70 110.89 97.70 121.19 . . 0 "[ . 1]" 93 . 1 82 LEU C 1 83 SER N 1 83 SER CA 1 83 SER C -156.30 -96.30 -102.81 -103.29 -112.72 2.01 8 0 "[ . 1]" 94 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 GLY N 87.40 147.40 137.71 121.87 98.20 1.17 3 0 "[ . 1]" 95 . 1 84 GLY C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -117.80 -57.80 -107.62 -98.40 -117.62 0.88 1 0 "[ . 1]" 96 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 PRO N 105.20 165.20 147.40 130.85 157.58 . . 0 "[ . 1]" 97 . 1 87 PRO C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -120.60 -60.60 -106.49 -112.65 -120.80 2.36 6 0 "[ . 1]" 98 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 PRO N 101.70 161.70 123.53 101.63 157.21 0.07 2 0 "[ . 1]" 99 . 1 89 PRO C 1 90 ARG N 1 90 ARG CA 1 90 ARG C -119.80 -59.80 -107.11 -122.68 -67.39 2.88 6 0 "[ . 1]" 100 . 1 90 ARG N 1 90 ARG CA 1 90 ARG C 1 91 GLY N 88.60 148.60 143.59 149.26 149.03 2.80 10 0 "[ . 1]" 101 . 1 93 PRO C 1 94 GLN N 1 94 GLN CA 1 94 GLN C -140.50 -80.50 -103.44 -140.69 -78.39 2.11 8 0 "[ . 1]" 102 . 1 94 GLN N 1 94 GLN CA 1 94 GLN C 1 95 ILE N 103.00 163.00 118.07 117.47 108.81 0.86 1 0 "[ . 1]" 103 . 1 94 GLN C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -137.80 -77.80 -97.54 -117.39 -80.72 . . 0 "[ . 1]" 104 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 GLU N 95.90 155.90 119.68 112.36 102.43 . . 0 "[ . 1]" 105 . 1 95 ILE C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -138.60 -78.60 -90.16 -85.51 -87.04 . . 0 "[ . 1]" 106 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 VAL N 93.50 153.50 107.67 113.04 109.37 . . 0 "[ . 1]" 107 . 1 96 GLU C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -144.50 -84.50 -103.37 -112.67 -125.17 0.54 10 0 "[ . 1]" 108 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 THR N 93.40 153.40 123.71 126.56 125.18 . . 0 "[ . 1]" 109 . 1 97 VAL C 1 98 THR N 1 98 THR CA 1 98 THR C -149.50 -89.50 -112.02 -112.58 -125.74 . . 0 "[ . 1]" 110 . 1 98 THR N 1 98 THR CA 1 98 THR C 1 99 PHE N 95.50 155.50 117.06 104.24 129.44 . . 0 "[ . 1]" 111 . 1 98 THR C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -147.60 -87.60 -98.55 -117.33 -89.66 . . 0 "[ . 1]" 112 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 ASP N 96.20 156.20 105.15 96.05 115.08 0.15 7 0 "[ . 1]" 113 . 1 99 PHE C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -138.90 -78.90 -105.29 -132.56 -90.79 . . 0 "[ . 1]" 114 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 ILE N 98.00 158.00 108.84 107.81 105.80 1.04 3 0 "[ . 1]" 115 . 1 100 ASP C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -144.00 -84.00 -93.80 -120.41 -83.48 0.52 9 0 "[ . 1]" 116 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 ASP N 98.20 158.20 119.61 119.20 116.40 . . 0 "[ . 1]" 117 . 1 101 ILE C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -117.20 -57.20 -82.11 -93.25 -74.15 . . 0 "[ . 1]" 118 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 ALA N 136.30 -163.70 151.23 149.50 147.79 . . 0 "[ . 1]" 119 . 1 102 ASP C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -96.20 -36.20 -63.79 -60.17 -62.08 . . 0 "[ . 1]" 120 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 ASN N -47.40 12.60 -17.04 -26.81 6.25 . . 0 "[ . 1]" 121 . 1 105 GLY C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -120.30 -60.30 -105.77 -120.74 -82.73 0.44 9 0 "[ . 1]" 122 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 LEU N 90.10 150.10 118.81 118.24 116.52 . . 0 "[ . 1]" 123 . 1 106 ILE C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -134.40 -74.40 -87.93 -90.67 -85.38 . . 0 "[ . 1]" 124 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 ASN N 96.90 156.90 105.52 101.97 99.11 . . 0 "[ . 1]" 125 . 1 107 LEU C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -139.90 -79.90 -100.49 -113.24 -92.45 . . 0 "[ . 1]" 126 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 VAL N 97.60 157.60 98.58 97.30 97.11 0.76 1 0 "[ . 1]" 127 . 1 108 ASN C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -144.80 -84.80 -95.87 -118.05 -87.09 . . 0 "[ . 1]" 128 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 THR N 95.10 155.10 119.07 102.97 136.32 . . 0 "[ . 1]" 129 . 1 109 VAL C 1 110 THR N 1 110 THR CA 1 110 THR C -150.50 -90.50 -111.51 -108.97 -111.25 . . 0 "[ . 1]" 130 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 ALA N 102.10 162.10 115.11 101.91 126.84 0.19 6 0 "[ . 1]" 131 . 1 110 THR C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -147.40 -87.40 -102.60 -105.94 -112.96 . . 0 "[ . 1]" 132 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 THR N 109.20 169.20 121.91 109.62 141.40 . . 0 "[ . 1]" 133 . 1 111 ALA C 1 112 THR N 1 112 THR CA 1 112 THR C -138.90 -78.90 -124.26 -132.61 -138.99 0.38 1 0 "[ . 1]" 134 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 ASP N 98.10 158.10 124.70 111.65 134.81 . . 0 "[ . 1]" 135 . 1 112 THR C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -114.90 -54.90 -77.88 -93.33 -71.12 . . 0 "[ . 1]" 136 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 LYS N 106.20 166.20 148.66 143.68 157.60 . . 0 "[ . 1]" 137 . 1 113 ASP C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -90.70 -30.70 -91.12 -91.48 -91.49 1.28 7 0 "[ . 1]" 138 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 SER N -57.60 2.40 -16.17 -26.43 -3.52 . . 0 "[ . 1]" 139 . 1 115 SER C 1 116 THR N 1 116 THR CA 1 116 THR C -138.20 -78.20 -112.95 -126.33 -127.90 . . 0 "[ . 1]" 140 . 1 116 THR N 1 116 THR CA 1 116 THR C 1 117 GLY N 102.60 162.60 153.81 116.62 163.86 1.26 1 0 "[ . 1]" 141 . 1 117 GLY C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -104.60 -44.60 -105.17 -106.28 -102.79 1.68 6 0 "[ . 1]" 142 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 ALA N 108.60 168.60 133.24 132.44 122.23 . . 0 "[ . 1]" 143 . 1 118 LYS C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -151.70 -91.70 -132.69 -151.98 -93.15 0.28 5 0 "[ . 1]" 144 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 ASN N 122.60 -177.40 135.96 143.72 142.95 0.77 3 0 "[ . 1]" 145 . 1 119 ALA C 1 120 ASN N 1 120 ASN CA 1 120 ASN C -177.00 -117.00 -125.25 -143.95 -116.46 0.54 4 0 "[ . 1]" 146 . 1 120 ASN N 1 120 ASN CA 1 120 ASN C 1 121 LYS N 121.10 -178.90 138.07 137.63 128.54 0.09 4 0 "[ . 1]" 147 . 1 120 ASN C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -163.10 -103.10 -126.51 -141.13 -114.77 . . 0 "[ . 1]" 148 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 ILE N 120.00 180.00 148.25 154.32 144.16 . . 0 "[ . 1]" 149 . 1 121 LYS C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -176.80 -116.80 -140.38 -135.14 -143.60 . . 0 "[ . 1]" 150 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 THR N 115.40 175.40 132.24 125.01 139.51 . . 0 "[ . 1]" 151 . 1 122 ILE C 1 123 THR N 1 123 THR CA 1 123 THR C -137.90 -77.90 -89.65 -98.65 -82.10 . . 0 "[ . 1]" 152 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 ILE N 96.00 156.00 105.08 95.71 116.67 0.29 9 0 "[ . 1]" 153 . 1 123 THR C 1 124 ILE N 1 124 ILE CA 1 124 ILE C -142.80 -82.80 -97.19 -113.93 -87.44 . . 0 "[ . 1]" 154 . 1 124 ILE N 1 124 ILE CA 1 124 ILE C 1 125 THR N 98.10 158.10 120.60 103.27 144.56 . . 0 "[ . 1]" 155 . 1 124 ILE C 1 125 THR N 1 125 THR CA 1 125 THR C -140.20 -80.20 -105.68 -90.01 -108.58 0.82 8 0 "[ . 1]" 156 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 ASN N 115.00 175.00 133.60 114.78 151.19 0.22 4 0 "[ . 1]" 157 . 1 131 LEU C 1 132 SER N 1 132 SER CA 1 132 SER C -113.20 -53.20 -82.35 -114.18 -66.21 0.98 4 0 "[ . 1]" 158 . 1 132 SER N 1 132 SER CA 1 132 SER C 1 133 LYS N 134.60 -165.40 161.62 157.35 143.77 0.58 10 0 "[ . 1]" 159 . 1 132 SER C 1 133 LYS N 1 133 LYS CA 1 133 LYS C -91.20 -31.20 -61.45 -69.13 -55.98 . . 0 "[ . 1]" 160 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C 1 134 GLU N -68.30 -8.30 -25.76 -8.13 -21.20 0.43 2 0 "[ . 1]" 161 . 1 133 LYS C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -94.10 -34.10 -68.78 -83.05 -52.06 . . 0 "[ . 1]" 162 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 GLU N -68.60 -8.60 -33.18 -41.28 -22.79 . . 0 "[ . 1]" 163 . 1 134 GLU C 1 135 GLU N 1 135 GLU CA 1 135 GLU C -95.40 -35.40 -69.83 -79.41 -58.64 . . 0 "[ . 1]" 164 . 1 135 GLU N 1 135 GLU CA 1 135 GLU C 1 136 ILE N -71.30 -11.30 -40.87 -42.93 -51.55 . . 0 "[ . 1]" 165 . 1 135 GLU C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -93.20 -33.20 -73.48 -69.09 -74.31 1.27 3 0 "[ . 1]" 166 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 GLU N -71.70 -11.70 -29.42 -27.73 -30.27 . . 0 "[ . 1]" 167 . 1 136 ILE C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -92.90 -32.90 -71.23 -90.42 -59.29 . . 0 "[ . 1]" 168 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 ARG N -69.90 -9.90 -33.40 -35.58 -40.99 1.44 3 0 "[ . 1]" 169 . 1 137 GLU C 1 138 ARG N 1 138 ARG CA 1 138 ARG C -94.40 -34.40 -65.73 -73.14 -74.36 . . 0 "[ . 1]" 170 . 1 138 ARG N 1 138 ARG CA 1 138 ARG C 1 139 MET N -71.30 -11.30 -39.10 -59.71 -13.25 . . 0 "[ . 1]" 171 . 1 138 ARG C 1 139 MET N 1 139 MET CA 1 139 MET C -95.80 -35.80 -63.48 -63.90 -67.87 . . 0 "[ . 1]" 172 . 1 139 MET N 1 139 MET CA 1 139 MET C 1 140 VAL N -68.00 -8.00 -36.93 -37.05 -37.25 . . 0 "[ . 1]" 173 . 1 139 MET C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -99.70 -39.70 -77.45 -100.46 -64.23 0.76 6 0 "[ . 1]" 174 . 1 140 VAL N 1 140 VAL CA 1 140 VAL C 1 141 GLN N -68.50 -8.50 -30.52 -43.98 -25.72 . . 0 "[ . 1]" 175 . 1 140 VAL C 1 141 GLN N 1 141 GLN CA 1 141 GLN C -94.30 -34.30 -77.32 -86.51 -93.96 . . 0 "[ . 1]" 176 . 1 141 GLN N 1 141 GLN CA 1 141 GLN C 1 142 GLU N -72.70 -12.70 -38.89 -40.32 -44.53 . . 0 "[ . 1]" 177 . 1 141 GLN C 1 142 GLU N 1 142 GLU CA 1 142 GLU C -97.10 -37.10 -67.66 -76.67 -62.15 . . 0 "[ . 1]" 178 . 1 142 GLU N 1 142 GLU CA 1 142 GLU C 1 143 ALA N -72.90 -12.90 -29.01 -29.33 -39.52 0.47 7 0 "[ . 1]" 179 . 1 142 GLU C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -90.30 -30.30 -62.38 -57.12 -58.91 . . 0 "[ . 1]" 180 . 1 143 ALA N 1 143 ALA CA 1 143 ALA C 1 144 GLU N -72.10 -12.10 -34.03 -35.08 -40.79 . . 0 "[ . 1]" 181 . 1 143 ALA C 1 144 GLU N 1 144 GLU CA 1 144 GLU C -97.10 -37.10 -81.38 -96.72 -70.37 . . 0 "[ . 1]" 182 . 1 144 GLU N 1 144 GLU CA 1 144 GLU C 1 145 LYS N -70.10 -10.10 -30.23 -35.07 -38.52 0.78 6 0 "[ . 1]" 183 . 1 144 GLU C 1 145 LYS N 1 145 LYS CA 1 145 LYS C -96.00 -36.00 -70.19 -87.92 -61.29 . . 0 "[ . 1]" 184 . 1 145 LYS N 1 145 LYS CA 1 145 LYS C 1 146 TYR N -63.20 -3.20 -40.78 -36.58 -40.66 . . 0 "[ . 1]" 185 . 1 145 LYS C 1 146 TYR N 1 146 TYR CA 1 146 TYR C -119.30 -59.30 -90.50 -77.49 -82.01 . . 0 "[ . 1]" 186 . 1 146 TYR N 1 146 TYR CA 1 146 TYR C 1 147 LYS N -43.80 16.20 11.83 12.12 10.64 2.32 7 0 "[ . 1]" 187 . 1 146 TYR C 1 147 LYS N 1 147 LYS CA 1 147 LYS C -85.40 -25.40 -59.99 -63.40 -66.42 . . 0 "[ . 1]" 188 . 1 147 LYS N 1 147 LYS CA 1 147 LYS C 1 148 ALA N -76.90 -16.90 -28.00 -35.15 -18.21 . . 0 "[ . 1]" 189 . 1 147 LYS C 1 148 ALA N 1 148 ALA CA 1 148 ALA C -93.60 -33.60 -66.58 -91.24 -57.24 . . 0 "[ . 1]" 190 . 1 148 ALA N 1 148 ALA CA 1 148 ALA C 1 149 GLU N -67.40 -7.40 -32.50 -44.88 -7.62 . . 0 "[ . 1]" 191 . 1 148 ALA C 1 149 GLU N 1 149 GLU CA 1 149 GLU C -96.70 -36.70 -83.96 -97.43 -68.54 0.73 6 0 "[ . 1]" 192 . 1 149 GLU N 1 149 GLU CA 1 149 GLU C 1 150 ASP N -71.60 -11.60 -31.13 -40.82 -13.06 . . 0 "[ . 1]" 193 . 1 149 GLU C 1 150 ASP N 1 150 ASP CA 1 150 ASP C -98.70 -38.70 -67.67 -55.70 -61.42 0.11 6 0 "[ . 1]" 194 . 1 150 ASP N 1 150 ASP CA 1 150 ASP C 1 151 GLU N -71.40 -11.40 -36.49 -54.97 -10.71 0.69 10 0 "[ . 1]" 195 . 1 150 ASP C 1 151 GLU N 1 151 GLU CA 1 151 GLU C -96.20 -36.20 -61.19 -54.78 -58.45 . . 0 "[ . 1]" 196 . 1 151 GLU N 1 151 GLU CA 1 151 GLU C 1 152 VAL N -70.20 -10.20 -32.14 -25.14 -28.91 . . 0 "[ . 1]" 197 . 1 151 GLU C 1 152 VAL N 1 152 VAL CA 1 152 VAL C -96.80 -36.80 -72.51 -71.45 -72.07 0.35 5 0 "[ . 1]" 198 . 1 152 VAL N 1 152 VAL CA 1 152 VAL C 1 153 GLN N -71.30 -11.30 -32.20 -53.46 -11.08 0.22 6 0 "[ . 1]" 199 . 1 152 VAL C 1 153 GLN N 1 153 GLN CA 1 153 GLN C -93.70 -33.70 -80.71 -81.51 -85.41 1.43 5 0 "[ . 1]" 200 . 1 153 GLN N 1 153 GLN CA 1 153 GLN C 1 154 ARG N -67.80 -7.80 -22.03 -24.86 -27.56 0.24 5 0 "[ . 1]" 201 . 1 153 GLN C 1 154 ARG N 1 154 ARG CA 1 154 ARG C -94.70 -34.70 -64.76 -62.14 -64.17 . . 0 "[ . 1]" 202 . 1 154 ARG N 1 154 ARG CA 1 154 ARG C 1 155 GLU N -69.30 -9.30 -32.59 -47.32 -14.25 . . 0 "[ . 1]" 203 . 1 154 ARG C 1 155 GLU N 1 155 GLU CA 1 155 GLU C -96.70 -36.70 -65.15 -74.00 -56.76 . . 0 "[ . 1]" 204 . 1 155 GLU N 1 155 GLU CA 1 155 GLU C 1 156 ARG N -73.00 -13.00 -38.81 -45.71 -50.70 . . 0 "[ . 1]" 205 . 1 155 GLU C 1 156 ARG N 1 156 ARG CA 1 156 ARG C -95.30 -35.30 -66.57 -71.90 -58.78 . . 0 "[ . 1]" 206 . 1 156 ARG N 1 156 ARG CA 1 156 ARG C 1 157 VAL N -70.50 -10.50 -33.64 -44.95 -18.49 . . 0 "[ . 1]" 207 . 1 156 ARG C 1 157 VAL N 1 157 VAL CA 1 157 VAL C -99.20 -39.20 -82.13 -99.60 -67.39 0.40 10 0 "[ . 1]" 208 . 1 157 VAL N 1 157 VAL CA 1 157 VAL C 1 158 SER N -65.60 -5.60 -21.23 -28.63 -39.86 1.14 8 0 "[ . 1]" 209 . 1 157 VAL C 1 158 SER N 1 158 SER CA 1 158 SER C -91.80 -31.80 -74.31 -92.31 -60.46 0.51 10 0 "[ . 1]" 210 . 1 158 SER N 1 158 SER CA 1 158 SER C 1 159 ALA N -71.00 -11.00 -30.45 -10.37 -17.19 0.63 2 0 "[ . 1]" 211 . 1 158 SER C 1 159 ALA N 1 159 ALA CA 1 159 ALA C -96.90 -36.90 -67.39 -61.05 -64.50 . . 0 "[ . 1]" 212 . 1 159 ALA N 1 159 ALA CA 1 159 ALA C 1 160 LYS N -67.80 -7.80 -24.53 -51.32 -10.12 . . 0 "[ . 1]" 213 . 1 159 ALA C 1 160 LYS N 1 160 LYS CA 1 160 LYS C -96.80 -36.80 -70.30 -98.91 -59.42 2.11 8 0 "[ . 1]" 214 . 1 160 LYS N 1 160 LYS CA 1 160 LYS C 1 161 ASN N -60.90 -0.90 -37.59 -33.59 -39.46 . . 0 "[ . 1]" 215 . 1 160 LYS C 1 161 ASN N 1 161 ASN CA 1 161 ASN C -100.40 -40.40 -78.52 -73.55 -73.80 1.02 10 0 "[ . 1]" 216 . 1 161 ASN N 1 161 ASN CA 1 161 ASN C 1 162 ALA N -63.90 -3.90 -22.77 -39.19 -2.20 1.70 10 0 "[ . 1]" 217 . 1 161 ASN C 1 162 ALA N 1 162 ALA CA 1 162 ALA C -96.90 -36.90 -67.85 -66.72 -69.14 . . 0 "[ . 1]" 218 . 1 162 ALA N 1 162 ALA CA 1 162 ALA C 1 163 TYR N -68.20 -8.20 -27.62 -31.73 -41.18 0.20 8 0 "[ . 1]" 219 . 1 162 ALA C 1 163 TYR N 1 163 TYR CA 1 163 TYR C -104.80 -44.80 -67.99 -65.99 -66.17 . . 0 "[ . 1]" 220 . 1 163 TYR N 1 163 TYR CA 1 163 TYR C 1 164 GLU N -55.30 4.70 -31.92 -51.67 -19.03 . . 0 "[ . 1]" 221 . 1 163 TYR C 1 164 GLU N 1 164 GLU CA 1 164 GLU C -93.90 -33.90 -78.82 -96.11 -64.03 2.21 3 0 "[ . 1]" 222 . 1 164 GLU N 1 164 GLU CA 1 164 GLU C 1 165 SER N -64.20 -4.20 -24.48 -43.29 -1.73 2.47 4 0 "[ . 1]" 223 . 1 164 GLU C 1 165 SER N 1 165 SER CA 1 165 SER C -108.40 -48.40 -84.74 -109.29 -61.87 0.89 7 0 "[ . 1]" 224 . 1 165 SER N 1 165 SER CA 1 165 SER C 1 166 TYR N -52.40 7.60 -6.28 5.05 -5.70 3.20 8 0 "[ . 1]" 225 . 1 176 ASP C 1 177 GLU N 1 177 GLU CA 1 177 GLU C -91.30 -31.30 -83.56 -88.97 -91.45 0.37 1 0 "[ . 1]" 226 . 1 177 GLU N 1 177 GLU CA 1 177 GLU C 1 178 GLY N 95.90 155.90 132.29 152.33 145.17 0.84 2 0 "[ . 1]" stop_ save_
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