NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
424418 | 2fv4 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2fv4 save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 206 _TA_constraint_stats_list.Viol_count 143 _TA_constraint_stats_list.Viol_total 41325.59 _TA_constraint_stats_list.Viol_max 40.95 _TA_constraint_stats_list.Viol_rms 3.62 _TA_constraint_stats_list.Viol_average_all_restraints 0.50 _TA_constraint_stats_list.Viol_average_violations_only 14.45 _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 . 2 34 VAL N 2 34 VAL CA 2 34 VAL CB 2 34 VAL CG1 150.00 -150.00 142.53 126.54 164.70 23.46 10 13 "[**- * ** + **** * *]" 2 . 2 43 VAL N 2 43 VAL CA 2 43 VAL CB 2 43 VAL CG1 150.00 -150.00 -161.61 -157.13 -158.52 . . 0 "[ . 1 . 2]" 3 . 2 68 THR N 2 68 THR CA 2 68 THR CB 2 68 THR CG2 -90.00 -30.00 -86.91 -84.94 -87.95 8.12 17 3 "[ * . 1 . + -]" 4 . 2 23 ILE N 2 23 ILE CA 2 23 ILE CB 2 23 ILE CG2 -90.00 -30.00 -67.44 -72.99 -73.78 . . 0 "[ . 1 . 2]" 5 . 2 35 ILE N 2 35 ILE CA 2 35 ILE CB 2 35 ILE CG2 -90.00 -30.00 -96.46 -79.29 -107.60 32.01 6 13 "[* *+*-*1 *** ****]" 6 . 2 45 ILE N 2 45 ILE CA 2 45 ILE CB 2 45 ILE CG2 -90.00 -30.00 -121.21 -126.93 -127.25 38.06 16 20 [*******-*******+****] 7 . 2 55 ILE N 2 55 ILE CA 2 55 ILE CB 2 55 ILE CG2 -90.00 -30.00 -52.71 -46.39 -51.31 . . 0 "[ . 1 . 2]" 8 . 2 71 ILE N 2 71 ILE CA 2 71 ILE CB 2 71 ILE CG2 -90.00 -30.00 -84.16 -96.64 -75.42 6.64 8 3 "[ . + 1 *. -]" 9 . 2 26 LEU CA 2 26 LEU CB 2 26 LEU CG 2 26 LEU CD1 150.00 -150.00 161.25 145.98 -163.93 4.02 6 0 "[ . 1 . 2]" 10 . 2 28 LEU CA 2 28 LEU CB 2 28 LEU CG 2 28 LEU CD1 150.00 -150.00 166.04 173.27 159.70 0.75 6 0 "[ . 1 . 2]" 11 . 2 38 LEU CA 2 38 LEU CB 2 38 LEU CG 2 38 LEU CD1 150.00 -150.00 163.99 166.99 160.19 3.73 17 0 "[ . 1 . 2]" 12 . 2 44 LEU CA 2 44 LEU CB 2 44 LEU CG 2 44 LEU CD1 150.00 -150.00 167.43 146.58 -176.87 3.42 16 0 "[ . 1 . 2]" 13 . 2 56 LEU CA 2 56 LEU CB 2 56 LEU CG 2 56 LEU CD1 150.00 -150.00 173.85 175.85 141.28 10.61 1 3 "[+ .- 1* . 2]" 14 . 2 58 LEU CA 2 58 LEU CB 2 58 LEU CG 2 58 LEU CD1 150.00 -150.00 165.78 139.65 -179.02 10.35 2 3 "[-+ . 1 * . 2]" 15 . 2 62 LEU CA 2 62 LEU CB 2 62 LEU CG 2 62 LEU CD1 -90.00 -30.00 -65.97 -69.32 -49.63 . . 0 "[ . 1 . 2]" 16 . 2 75 LEU CA 2 75 LEU CB 2 75 LEU CG 2 75 LEU CD1 150.00 -150.00 154.20 147.04 163.44 2.96 2 0 "[ . 1 . 2]" 17 . 2 23 ILE CA 2 23 ILE CB 2 23 ILE CG1 2 23 ILE CD1 150.00 -150.00 169.58 159.47 157.33 2.74 20 0 "[ . 1 . 2]" 18 . 2 45 ILE CA 2 45 ILE CB 2 45 ILE CG1 2 45 ILE CD1 150.00 -150.00 -175.66 178.49 177.73 29.83 8 1 "[ . + 1 . 2]" 19 . 2 53 ILE CA 2 53 ILE CB 2 53 ILE CG1 2 53 ILE CD1 150.00 -150.00 173.33 178.85 176.40 . . 0 "[ . 1 . 2]" 20 . 2 29 TYR N 2 29 TYR CA 2 29 TYR CB 2 29 TYR CG -90.00 -30.00 -72.01 -104.74 -24.18 14.74 5 8 "[ *+-** 1 * * *]" 21 . 2 70 TYR N 2 70 TYR CA 2 70 TYR CB 2 70 TYR CG 150.00 -150.00 -173.75 -167.23 -169.56 . . 0 "[ . 1 . 2]" 22 . 2 20 ASN C 2 21 GLU N 2 21 GLU CA 2 21 GLU C -97.88 -37.88 -48.14 -52.77 -53.39 . . 0 "[ . 1 . 2]" 23 . 2 21 GLU N 2 21 GLU CA 2 21 GLU C 2 22 ASN N -85.55 4.45 -17.71 -35.14 -3.53 . . 0 "[ . 1 . 2]" 24 . 2 21 GLU C 2 22 ASN N 2 22 ASN CA 2 22 ASN C -94.72 -34.72 -51.69 -51.60 -52.22 . . 0 "[ . 1 . 2]" 25 . 2 22 ASN N 2 22 ASN CA 2 22 ASN C 2 23 ILE N -74.02 -14.02 -44.58 -61.06 -36.43 . . 0 "[ . 1 . 2]" 26 . 2 22 ASN C 2 23 ILE N 2 23 ILE CA 2 23 ILE C -98.32 -38.32 -59.46 -64.81 -67.86 . . 0 "[ . 1 . 2]" 27 . 2 23 ILE N 2 23 ILE CA 2 23 ILE C 2 24 LEU N -68.75 -8.75 -33.33 -29.85 -30.60 . . 0 "[ . 1 . 2]" 28 . 2 24 LEU C 2 25 LYS N 2 25 LYS CA 2 25 LYS C -92.72 -32.72 -63.80 -64.09 -64.61 . . 0 "[ . 1 . 2]" 29 . 2 25 LYS N 2 25 LYS CA 2 25 LYS C 2 26 LEU N -74.40 -14.40 -49.03 -45.85 -47.31 . . 0 "[ . 1 . 2]" 30 . 2 25 LYS C 2 26 LEU N 2 26 LEU CA 2 26 LEU C -98.32 -38.32 -58.57 -63.35 -52.99 . . 0 "[ . 1 . 2]" 31 . 2 26 LEU N 2 26 LEU CA 2 26 LEU C 2 27 LYS N -69.20 -9.20 -37.99 -48.03 -31.61 . . 0 "[ . 1 . 2]" 32 . 2 26 LEU C 2 27 LYS N 2 27 LYS CA 2 27 LYS C -96.36 -36.36 -61.41 -62.49 -63.71 . . 0 "[ . 1 . 2]" 33 . 2 27 LYS N 2 27 LYS CA 2 27 LYS C 2 28 LEU N -70.32 -10.32 -36.69 -31.83 -33.14 . . 0 "[ . 1 . 2]" 34 . 2 27 LYS C 2 28 LEU N 2 28 LEU CA 2 28 LEU C -99.63 -39.63 -63.10 -68.73 -59.50 . . 0 "[ . 1 . 2]" 35 . 2 28 LEU N 2 28 LEU CA 2 28 LEU C 2 29 TYR N -80.00 -20.00 -59.51 -70.88 -42.57 . . 0 "[ . 1 . 2]" 36 . 2 28 LEU C 2 29 TYR N 2 29 TYR CA 2 29 TYR C -97.21 -37.21 -51.39 -52.71 -53.61 . . 0 "[ . 1 . 2]" 37 . 2 29 TYR N 2 29 TYR CA 2 29 TYR C 2 30 ARG N -70.77 -10.77 -43.76 -37.63 -39.44 . . 0 "[ . 1 . 2]" 38 . 2 30 ARG N 2 30 ARG CA 2 30 ARG C 2 31 SER N -70.00 -10.00 -35.60 -32.77 -33.25 . . 0 "[ . 1 . 2]" 39 . 2 64 ASP C 2 65 PHE N 2 65 PHE CA 2 65 PHE C -96.60 -36.60 -58.73 -59.25 -59.66 . . 0 "[ . 1 . 2]" 40 . 2 65 PHE N 2 65 PHE CA 2 65 PHE C 2 66 TYR N -69.08 -9.08 -43.40 -38.04 -38.96 . . 0 "[ . 1 . 2]" 41 . 2 65 PHE C 2 66 TYR N 2 66 TYR CA 2 66 TYR C -95.96 -35.96 -67.67 -70.96 -64.03 . . 0 "[ . 1 . 2]" 42 . 2 66 TYR N 2 66 TYR CA 2 66 TYR C 2 67 LYS N -67.34 -7.34 -39.91 -45.83 -31.79 . . 0 "[ . 1 . 2]" 43 . 2 66 TYR C 2 67 LYS N 2 67 LYS CA 2 67 LYS C -96.19 -36.19 -60.76 -65.20 -58.26 . . 0 "[ . 1 . 2]" 44 . 2 67 LYS N 2 67 LYS CA 2 67 LYS C 2 68 THR N -70.08 -10.08 -46.49 -42.02 -42.41 . . 0 "[ . 1 . 2]" 45 . 2 67 LYS C 2 68 THR N 2 68 THR CA 2 68 THR C -97.03 -37.03 -60.96 -64.90 -65.58 . . 0 "[ . 1 . 2]" 46 . 2 68 THR N 2 68 THR CA 2 68 THR C 2 69 LYS N -73.96 -3.96 -38.24 -44.27 -31.99 . . 0 "[ . 1 . 2]" 47 . 2 68 THR C 2 69 LYS N 2 69 LYS CA 2 69 LYS C -94.89 -34.89 -69.95 -71.40 -72.67 . . 0 "[ . 1 . 2]" 48 . 2 69 LYS N 2 69 LYS CA 2 69 LYS C 2 70 TYR N -69.83 -9.83 -26.12 -31.37 -18.68 . . 0 "[ . 1 . 2]" 49 . 2 69 LYS C 2 70 TYR N 2 70 TYR CA 2 70 TYR C -94.95 -34.95 -72.53 -71.54 -72.53 . . 0 "[ . 1 . 2]" 50 . 2 70 TYR N 2 70 TYR CA 2 70 TYR C 2 71 ILE N -72.78 -12.78 -53.64 -57.24 -50.41 . . 0 "[ . 1 . 2]" 51 . 2 70 TYR C 2 71 ILE N 2 71 ILE CA 2 71 ILE C -96.92 -36.92 -65.61 -71.23 -61.61 . . 0 "[ . 1 . 2]" 52 . 2 71 ILE N 2 71 ILE CA 2 71 ILE C 2 72 TRP N -70.55 -10.55 -33.49 -41.48 -27.46 . . 0 "[ . 1 . 2]" 53 . 2 71 ILE C 2 72 TRP N 2 72 TRP CA 2 72 TRP C -95.73 -35.73 -73.22 -61.97 -65.70 . . 0 "[ . 1 . 2]" 54 . 2 72 TRP N 2 72 TRP CA 2 72 TRP C 2 73 GLU N -63.37 -3.37 -37.67 -37.44 -38.00 . . 0 "[ . 1 . 2]" 55 . 2 73 GLU C 2 74 ARG N 2 74 ARG CA 2 74 ARG C -116.89 -56.89 -77.36 -75.11 -76.31 . . 0 "[ . 1 . 2]" 56 . 2 74 ARG N 2 74 ARG CA 2 74 ARG C 2 75 LEU N -52.46 7.54 -34.07 -40.77 -23.31 . . 0 "[ . 1 . 2]" 57 . 2 33 GLY C 2 34 VAL N 2 34 VAL CA 2 34 VAL C -150.00 -90.00 -104.23 -110.02 -94.59 . . 0 "[ . 1 . 2]" 58 . 2 34 VAL N 2 34 VAL CA 2 34 VAL C 2 35 ILE N 100.00 160.00 141.37 140.59 139.75 . . 0 "[ . 1 . 2]" 59 . 2 34 VAL C 2 35 ILE N 2 35 ILE CA 2 35 ILE C -150.00 -90.00 -134.58 -145.38 -122.88 . . 0 "[ . 1 . 2]" 60 . 2 35 ILE N 2 35 ILE CA 2 35 ILE C 2 36 LEU N 55.00 115.00 88.19 93.47 85.03 . . 0 "[ . 1 . 2]" 61 . 2 35 ILE C 2 36 LEU N 2 36 LEU CA 2 36 LEU C -120.00 -60.00 -63.99 -74.99 -58.43 1.57 18 0 "[ . 1 . 2]" 62 . 2 36 LEU N 2 36 LEU CA 2 36 LEU C 2 37 ASP N 105.00 165.00 148.57 149.17 147.63 . . 0 "[ . 1 . 2]" 63 . 2 36 LEU C 2 37 ASP N 2 37 ASP CA 2 37 ASP C -150.00 -90.00 -142.91 -145.95 -147.03 . . 0 "[ . 1 . 2]" 64 . 2 37 ASP N 2 37 ASP CA 2 37 ASP C 2 38 LEU N 70.00 130.00 106.92 87.61 117.24 . . 0 "[ . 1 . 2]" 65 . 2 41 ASP C 2 42 GLN N 2 42 GLN CA 2 42 GLN C -150.00 -90.00 -138.48 -143.09 -143.48 . . 0 "[ . 1 . 2]" 66 . 2 42 GLN N 2 42 GLN CA 2 42 GLN C 2 43 VAL N 100.00 160.00 149.73 156.60 155.99 . . 0 "[ . 1 . 2]" 67 . 2 42 GLN C 2 43 VAL N 2 43 VAL CA 2 43 VAL C -150.00 -90.00 -108.42 -107.02 -107.73 . . 0 "[ . 1 . 2]" 68 . 2 43 VAL N 2 43 VAL CA 2 43 VAL C 2 44 LEU N 100.00 160.00 128.15 130.48 128.97 . . 0 "[ . 1 . 2]" 69 . 2 43 VAL C 2 44 LEU N 2 44 LEU CA 2 44 LEU C -150.00 -90.00 -103.65 -110.40 -98.38 . . 0 "[ . 1 . 2]" 70 . 2 44 LEU N 2 44 LEU CA 2 44 LEU C 2 45 ILE N 100.00 160.00 153.75 147.64 158.64 . . 0 "[ . 1 . 2]" 71 . 2 44 LEU C 2 45 ILE N 2 45 ILE CA 2 45 ILE C -165.00 -105.00 -146.37 -144.54 -146.03 . . 0 "[ . 1 . 2]" 72 . 2 45 ILE N 2 45 ILE CA 2 45 ILE C 2 46 ASN N 125.00 -175.00 161.47 162.88 161.06 . . 0 "[ . 1 . 2]" 73 . 2 53 ILE C 2 54 ASP N 2 54 ASP CA 2 54 ASP C -150.00 -90.00 -126.30 -131.49 -133.29 . . 0 "[ . 1 . 2]" 74 . 2 54 ASP N 2 54 ASP CA 2 54 ASP C 2 55 ILE N 100.00 160.00 152.94 148.18 158.34 . . 0 "[ . 1 . 2]" 75 . 2 54 ASP C 2 55 ILE N 2 55 ILE CA 2 55 ILE C -150.00 -90.00 -129.95 -125.54 -127.23 . . 0 "[ . 1 . 2]" 76 . 2 55 ILE N 2 55 ILE CA 2 55 ILE C 2 56 LEU N 100.00 160.00 142.14 137.57 145.62 . . 0 "[ . 1 . 2]" 77 . 2 55 ILE C 2 56 LEU N 2 56 LEU CA 2 56 LEU C -150.00 -90.00 -135.93 -142.03 -129.20 . . 0 "[ . 1 . 2]" 78 . 2 56 LEU N 2 56 LEU CA 2 56 LEU C 2 57 PRO N 70.00 130.00 103.75 84.72 116.27 . . 0 "[ . 1 . 2]" 79 . 1 26 VAL N 1 26 VAL CA 1 26 VAL CB 1 26 VAL CG1 150.00 -150.00 163.28 166.22 164.30 . . 0 "[ . 1 . 2]" 80 . 1 36 VAL N 1 36 VAL CA 1 36 VAL CB 1 36 VAL CG1 150.00 -150.00 157.20 149.79 148.38 5.25 7 1 "[ . + 1 . 2]" 81 . 1 39 VAL N 1 39 VAL CA 1 39 VAL CB 1 39 VAL CG1 150.00 -150.00 -160.21 -159.41 -160.16 . . 0 "[ . 1 . 2]" 82 . 1 76 VAL N 1 76 VAL CA 1 76 VAL CB 1 76 VAL CG1 150.00 -150.00 161.13 159.32 166.94 . . 0 "[ . 1 . 2]" 83 . 1 79 VAL N 1 79 VAL CA 1 79 VAL CB 1 79 VAL CG1 150.00 -150.00 178.22 -178.76 179.99 . . 0 "[ . 1 . 2]" 84 . 1 88 VAL N 1 88 VAL CA 1 88 VAL CB 1 88 VAL CG1 150.00 -150.00 -178.05 -176.08 -176.74 . . 0 "[ . 1 . 2]" 85 . 1 89 VAL N 1 89 VAL CA 1 89 VAL CB 1 89 VAL CG1 150.00 -150.00 179.20 179.67 179.05 . . 0 "[ . 1 . 2]" 86 . 1 72 THR N 1 72 THR CA 1 72 THR CB 1 72 THR OG1 -90.00 -30.00 -57.74 -56.78 -57.57 . . 0 "[ . 1 . 2]" 87 . 1 78 THR N 1 78 THR CA 1 78 THR CB 1 78 THR OG1 30.00 90.00 87.30 80.34 90.95 0.95 20 0 "[ . 1 . 2]" 88 . 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG -90.00 -30.00 -57.16 -59.17 -60.33 . . 0 "[ . 1 . 2]" 89 . 1 40 PHE N 1 40 PHE CA 1 40 PHE CB 1 40 PHE CG -90.00 -30.00 -39.79 -47.32 -34.75 . . 0 "[ . 1 . 2]" 90 . 1 62 HIS N 1 62 HIS CA 1 62 HIS CB 1 62 HIS CG 150.00 -150.00 -163.61 172.66 -156.51 . . 0 "[ . 1 . 2]" 91 . 1 86 PHE N 1 86 PHE CA 1 86 PHE CB 1 86 PHE CG 150.00 -150.00 115.86 109.05 121.10 40.95 4 20 [***+********-*******] 92 . 1 10 ASN C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -95.00 -35.00 -53.62 -59.81 -42.82 . . 0 "[ . 1 . 2]" 93 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 ALA N -70.00 -10.00 -36.75 -31.76 -35.65 . . 0 "[ . 1 . 2]" 94 . 1 11 ASP C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -95.00 -35.00 -67.27 -74.42 -61.83 . . 0 "[ . 1 . 2]" 95 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 ALA N -70.00 -10.00 -34.66 -26.49 -29.01 . . 0 "[ . 1 . 2]" 96 . 1 12 ALA C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -95.00 -35.00 -68.08 -75.26 -61.52 . . 0 "[ . 1 . 2]" 97 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 GLU N -70.00 -10.00 -46.92 -45.46 -46.05 . . 0 "[ . 1 . 2]" 98 . 1 13 ALA C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -95.00 -35.00 -61.30 -67.44 -55.08 . . 0 "[ . 1 . 2]" 99 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 VAL N -70.00 -10.00 -47.76 -54.37 -41.03 . . 0 "[ . 1 . 2]" 100 . 1 14 GLU C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -95.00 -35.00 -60.20 -66.42 -50.12 . . 0 "[ . 1 . 2]" 101 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 ALA N -70.00 -10.00 -28.68 -28.84 -29.76 . . 0 "[ . 1 . 2]" 102 . 1 15 VAL C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -95.00 -35.00 -68.47 -67.61 -68.69 . . 0 "[ . 1 . 2]" 103 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 LEU N -70.00 -10.00 -47.55 -51.56 -40.67 . . 0 "[ . 1 . 2]" 104 . 1 16 ALA C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -95.00 -35.00 -66.27 -69.87 -61.97 . . 0 "[ . 1 . 2]" 105 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 TYR N -70.00 -10.00 -32.59 -31.89 -32.34 . . 0 "[ . 1 . 2]" 106 . 1 17 LEU C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -95.00 -35.00 -61.08 -60.31 -60.96 . . 0 "[ . 1 . 2]" 107 . 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 GLU N -70.00 -10.00 -48.72 -50.96 -52.19 . . 0 "[ . 1 . 2]" 108 . 1 18 TYR C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -100.00 -40.00 -77.11 -90.65 -54.87 . . 0 "[ . 1 . 2]" 109 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 ARG N -70.00 -10.00 -52.41 -61.16 -35.03 . . 0 "[ . 1 . 2]" 110 . 1 19 GLU C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -95.00 -35.00 -53.74 -46.16 -47.77 . . 0 "[ . 1 . 2]" 111 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 LEU N -70.00 -10.00 -36.33 -39.61 -40.78 . . 0 "[ . 1 . 2]" 112 . 1 20 ARG C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -115.00 -55.00 -89.70 -101.11 -66.85 . . 0 "[ . 1 . 2]" 113 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 LEU N -65.00 -5.00 -31.96 -61.91 -12.49 . . 0 "[ . 1 . 2]" 114 . 1 21 LEU C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -95.00 -35.00 -81.04 -74.69 -76.68 . . 0 "[ . 1 . 2]" 115 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 GLN N -50.00 10.00 -12.84 -19.16 -4.00 . . 0 "[ . 1 . 2]" 116 . 1 67 PRO C 1 68 LYS N 1 68 LYS CA 1 68 LYS C -95.00 -35.00 -50.15 -46.54 -46.82 . . 0 "[ . 1 . 2]" 117 . 1 68 LYS N 1 68 LYS CA 1 68 LYS C 1 69 SER N -70.00 -10.00 -32.12 -30.28 -32.12 . . 0 "[ . 1 . 2]" 118 . 1 68 LYS C 1 69 SER N 1 69 SER CA 1 69 SER C -95.00 -35.00 -65.49 -72.63 -48.33 . . 0 "[ . 1 . 2]" 119 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 ARG N -95.00 -35.00 -65.14 -81.93 -50.10 . . 0 "[ . 1 . 2]" 120 . 1 69 SER C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -95.00 -35.00 -53.34 -53.71 -56.80 . . 0 "[ . 1 . 2]" 121 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 ALA N -70.00 -10.00 -34.19 -47.67 -27.19 . . 0 "[ . 1 . 2]" 122 . 1 70 ARG C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -95.00 -35.00 -69.61 -62.33 -65.42 . . 0 "[ . 1 . 2]" 123 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 THR N -80.00 -20.00 -58.79 -63.78 -66.72 . . 0 "[ . 1 . 2]" 124 . 1 71 ALA C 1 72 THR N 1 72 THR CA 1 72 THR C -95.00 -35.00 -59.51 -68.44 -50.18 . . 0 "[ . 1 . 2]" 125 . 1 72 THR N 1 72 THR CA 1 72 THR C 1 73 LEU N -70.00 -10.00 -34.06 -34.90 -35.17 . . 0 "[ . 1 . 2]" 126 . 1 72 THR C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -95.00 -35.00 -65.27 -67.98 -62.21 . . 0 "[ . 1 . 2]" 127 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 GLU N -70.00 -10.00 -44.01 -49.11 -37.36 . . 0 "[ . 1 . 2]" 128 . 1 73 LEU C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -95.00 -35.00 -65.45 -68.35 -62.16 . . 0 "[ . 1 . 2]" 129 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 HIS N -70.00 -10.00 -56.83 -55.33 -55.83 . . 0 "[ . 1 . 2]" 130 . 1 74 GLU C 1 75 HIS N 1 75 HIS CA 1 75 HIS C -95.00 -35.00 -53.42 -56.01 -50.51 . . 0 "[ . 1 . 2]" 131 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 VAL N -70.00 -10.00 -35.21 -42.44 -33.05 . . 0 "[ . 1 . 2]" 132 . 1 75 HIS C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -95.00 -35.00 -61.35 -65.26 -54.86 . . 0 "[ . 1 . 2]" 133 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 LEU N -70.00 -10.00 -51.96 -54.36 -47.19 . . 0 "[ . 1 . 2]" 134 . 1 76 VAL C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -95.00 -35.00 -64.12 -65.59 -61.51 . . 0 "[ . 1 . 2]" 135 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 THR N -70.00 -10.00 -42.77 -42.41 -42.51 . . 0 "[ . 1 . 2]" 136 . 1 77 LEU C 1 78 THR N 1 78 THR CA 1 78 THR C -95.00 -35.00 -73.65 -74.35 -74.70 . . 0 "[ . 1 . 2]" 137 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 VAL N -70.00 -10.00 -27.83 -31.22 -25.29 . . 0 "[ . 1 . 2]" 138 . 1 78 THR C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -105.00 -25.00 -88.07 -93.81 -84.45 . . 0 "[ . 1 . 2]" 139 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 GLN N -80.00 0.00 -42.24 -45.95 -37.95 . . 0 "[ . 1 . 2]" 140 . 1 79 VAL C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -105.00 -25.00 -86.88 -84.63 -84.95 . . 0 "[ . 1 . 2]" 141 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 GLY N -80.00 0.00 -29.02 -31.19 -33.15 . . 0 "[ . 1 . 2]" 142 . 1 82 ASP C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -95.00 -35.00 -59.75 -75.52 -45.88 . . 0 "[ . 1 . 2]" 143 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 ALA N -50.00 10.00 -6.57 -11.46 -13.36 . . 0 "[ . 1 . 2]" 144 . 1 83 LEU C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -130.00 -70.00 -94.01 -129.71 -72.62 . . 0 "[ . 1 . 2]" 145 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 ALA N -70.00 -10.00 -50.76 -62.07 -43.90 . . 0 "[ . 1 . 2]" 146 . 1 84 ALA C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -95.00 -35.00 -59.76 -59.87 -61.58 . . 0 "[ . 1 . 2]" 147 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 PHE N -70.00 -10.00 -24.06 -45.96 -16.10 . . 0 "[ . 1 . 2]" 148 . 1 85 ALA C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -110.00 -20.00 -74.49 -77.94 -79.51 . . 0 "[ . 1 . 2]" 149 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 LEU N -85.00 5.00 -63.40 -62.87 -64.99 . . 0 "[ . 1 . 2]" 150 . 1 86 PHE C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -95.00 -35.00 -59.30 -65.73 -46.98 . . 0 "[ . 1 . 2]" 151 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 VAL N -70.00 -10.00 -35.06 -49.14 -26.86 . . 0 "[ . 1 . 2]" 152 . 1 87 LEU C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -95.00 -35.00 -64.33 -66.50 -68.03 . . 0 "[ . 1 . 2]" 153 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 VAL N -70.00 -10.00 -47.34 -46.76 -47.28 . . 0 "[ . 1 . 2]" 154 . 1 88 VAL C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -95.00 -35.00 -70.20 -71.94 -68.09 . . 0 "[ . 1 . 2]" 155 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 ALA N -70.00 -10.00 -30.79 -37.60 -23.87 . . 0 "[ . 1 . 2]" 156 . 1 89 VAL C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -110.00 -20.00 -62.04 -62.09 -62.65 . . 0 "[ . 1 . 2]" 157 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 ARG N -85.00 5.00 -44.02 -53.37 -39.48 . . 0 "[ . 1 . 2]" 158 . 1 90 ALA C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -95.00 -35.00 -63.31 -63.85 -64.43 . . 0 "[ . 1 . 2]" 159 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 ASP N -70.00 -10.00 -52.96 -60.25 -41.75 . . 0 "[ . 1 . 2]" 160 . 1 91 ARG C 1 92 ASP N 1 92 ASP CA 1 92 ASP C -95.00 -35.00 -58.46 -54.16 -55.90 . . 0 "[ . 1 . 2]" 161 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 MET N -70.00 -10.00 -32.03 -36.45 -22.56 . . 0 "[ . 1 . 2]" 162 . 1 92 ASP C 1 93 MET N 1 93 MET CA 1 93 MET C -95.00 -35.00 -70.36 -71.35 -72.14 . . 0 "[ . 1 . 2]" 163 . 1 93 MET N 1 93 MET CA 1 93 MET C 1 94 LEU N -70.00 -10.00 -40.28 -38.64 -40.36 . . 0 "[ . 1 . 2]" 164 . 1 93 MET C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -95.00 -35.00 -64.32 -60.61 -61.14 . . 0 "[ . 1 . 2]" 165 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 LEU N -70.00 -10.00 -42.32 -55.22 -30.98 . . 0 "[ . 1 . 2]" 166 . 1 94 LEU C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -95.00 -35.00 -65.17 -69.41 -70.66 . . 0 "[ . 1 . 2]" 167 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 ALA N -70.00 -10.00 -44.09 -45.06 -47.12 . . 0 "[ . 1 . 2]" 168 . 1 95 LEU C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -110.00 -20.00 -56.46 -64.10 -48.67 . . 0 "[ . 1 . 2]" 169 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 SER N -85.00 5.00 -27.31 -28.75 -29.10 . . 0 "[ . 1 . 2]" 170 . 1 96 ALA C 1 97 SER N 1 97 SER CA 1 97 SER C -110.00 -20.00 -62.96 -60.75 -61.47 . . 0 "[ . 1 . 2]" 171 . 1 97 SER N 1 97 SER CA 1 97 SER C 1 98 LEU N -85.00 5.00 -39.18 -42.88 -36.64 . . 0 "[ . 1 . 2]" 172 . 1 23 GLN C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -150.00 -90.00 -132.71 -137.07 -138.02 . . 0 "[ . 1 . 2]" 173 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 ARG N 115.00 175.00 126.28 130.16 128.79 . . 0 "[ . 1 . 2]" 174 . 1 24 LEU C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -145.00 -85.00 -119.57 -126.07 -127.65 . . 0 "[ . 1 . 2]" 175 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 VAL N 105.00 165.00 136.53 124.41 146.34 . . 0 "[ . 1 . 2]" 176 . 1 25 ARG C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -135.00 -75.00 -92.80 -92.51 -92.81 . . 0 "[ . 1 . 2]" 177 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 LEU N 100.00 160.00 115.08 114.85 114.48 . . 0 "[ . 1 . 2]" 178 . 1 26 VAL C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -150.00 -90.00 -118.75 -135.67 -115.56 . . 0 "[ . 1 . 2]" 179 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 PRO N 85.00 145.00 96.93 89.86 148.62 3.62 4 0 "[ . 1 . 2]" 180 . 1 28 PRO N 1 28 PRO CA 1 28 PRO C 1 29 GLY N 105.00 165.00 139.89 139.75 139.53 . . 0 "[ . 1 . 2]" 181 . 1 35 ASP C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -150.00 -90.00 -117.70 -116.32 -117.86 . . 0 "[ . 1 . 2]" 182 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 ARG N 95.00 155.00 123.39 124.15 123.82 . . 0 "[ . 1 . 2]" 183 . 1 36 VAL C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -155.00 -65.00 -107.92 -111.73 -103.48 . . 0 "[ . 1 . 2]" 184 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 PHE N 80.00 170.00 111.74 110.93 110.26 . . 0 "[ . 1 . 2]" 185 . 1 37 ARG C 1 38 PHE N 1 38 PHE CA 1 38 PHE C -130.00 -70.00 -84.39 -92.15 -79.86 . . 0 "[ . 1 . 2]" 186 . 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 VAL N 95.00 155.00 118.68 105.83 124.12 . . 0 "[ . 1 . 2]" 187 . 1 38 PHE C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -125.00 -65.00 -108.94 -110.98 -112.38 . . 0 "[ . 1 . 2]" 188 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 PHE N 95.00 155.00 126.38 126.43 125.84 . . 0 "[ . 1 . 2]" 189 . 1 39 VAL C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -125.00 -65.00 -95.16 -100.61 -89.12 . . 0 "[ . 1 . 2]" 190 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 GLY N 90.00 150.00 118.62 115.76 120.27 . . 0 "[ . 1 . 2]" 191 . 1 45 ARG C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -160.00 -70.00 -118.81 -121.00 -122.73 . . 0 "[ . 1 . 2]" 192 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 TRP N 100.00 -170.00 140.32 131.21 150.77 . . 0 "[ . 1 . 2]" 193 . 1 46 CYS C 1 47 TRP N 1 47 TRP CA 1 47 TRP C -160.00 -100.00 -154.30 -160.00 -144.88 0.00 10 0 "[ . 1 . 2]" 194 . 1 47 TRP N 1 47 TRP CA 1 47 TRP C 1 48 ILE N 120.00 180.00 155.58 151.73 158.03 . . 0 "[ . 1 . 2]" 195 . 1 47 TRP C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -170.00 -80.00 -136.83 -142.96 -130.18 . . 0 "[ . 1 . 2]" 196 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 GLU N 80.00 170.00 139.48 141.07 140.90 . . 0 "[ . 1 . 2]" 197 . 1 48 ILE C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -145.00 -85.00 -106.68 -132.07 -91.83 . . 0 "[ . 1 . 2]" 198 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 VAL N 100.00 160.00 138.08 139.20 135.35 . . 0 "[ . 1 . 2]" 199 . 1 49 GLU C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -175.00 -115.00 -149.87 -156.72 -174.30 2.07 1 0 "[ . 1 . 2]" 200 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 ALA N 100.00 160.00 137.91 121.67 157.08 . . 0 "[ . 1 . 2]" 201 . 1 59 GLY C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -140.00 -50.00 -114.41 -138.30 -55.76 . . 0 "[ . 1 . 2]" 202 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 SER N 90.00 180.00 140.79 104.84 173.59 . . 0 "[ . 1 . 2]" 203 . 1 60 ASN C 1 61 SER N 1 61 SER CA 1 61 SER C -165.00 -105.00 -135.70 -134.10 -135.34 6.18 11 1 "[ . 1+ . 2]" 204 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 HIS N 120.00 180.00 132.14 134.39 131.23 2.74 5 0 "[ . 1 . 2]" 205 . 1 61 SER C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -170.00 -110.00 -141.64 -150.58 -127.52 . . 0 "[ . 1 . 2]" 206 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 PRO N 45.00 105.00 74.22 71.66 85.55 . . 0 "[ . 1 . 2]" stop_ save_
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