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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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468849 |
2a7o ![]() ![]() |
6834 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2a7o save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 177 _TA_constraint_stats_list.Viol_count 161 _TA_constraint_stats_list.Viol_total 2423.02 _TA_constraint_stats_list.Viol_max 3.14 _TA_constraint_stats_list.Viol_rms 0.22 _TA_constraint_stats_list.Viol_average_all_restraints 0.03 _TA_constraint_stats_list.Viol_average_violations_only 0.75 _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 10 THR C 1 11 SER N 1 11 SER CA 1 11 SER C -100.80 -28.00 -78.11 -76.45 -78.33 . . 0 "[ . 1 . 2]" 2 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 SER N -70.00 -2.40 -7.68 -18.09 -1.22 1.18 12 0 "[ . 1 . 2]" 3 . 1 11 SER C 1 12 SER N 1 12 SER CA 1 12 SER C -101.80 -35.00 -71.22 -66.19 -70.75 . . 0 "[ . 1 . 2]" 4 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 GLU N -65.00 -1.40 -50.50 -49.26 -49.40 . . 0 "[ . 1 . 2]" 5 . 1 12 SER C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -78.80 -36.00 -80.78 -80.62 -80.92 3.14 3 0 "[ . 1 . 2]" 6 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 LEU N -64.00 -10.40 -37.06 -32.78 -33.91 . . 0 "[ . 1 . 2]" 7 . 1 13 GLU C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -82.90 -44.90 -58.57 -62.58 -53.95 . . 0 "[ . 1 . 2]" 8 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ALA N -60.30 -18.90 -37.85 -33.40 -35.06 . . 0 "[ . 1 . 2]" 9 . 1 14 LEU C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -100.90 -35.70 -83.57 -92.00 -73.60 . . 0 "[ . 1 . 2]" 10 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 LYS N -69.10 -5.30 -16.00 -16.19 -21.62 . . 0 "[ . 1 . 2]" 11 . 1 15 ALA C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -87.90 -42.90 -62.95 -68.61 -53.94 . . 0 "[ . 1 . 2]" 12 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 LYS N -60.80 -22.60 -36.88 -38.54 -41.71 . . 0 "[ . 1 . 2]" 13 . 1 16 LYS C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -80.30 -46.10 -79.68 -82.43 -65.13 2.13 4 0 "[ . 1 . 2]" 14 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 SER N -79.40 -5.80 -40.90 -46.59 -34.06 . . 0 "[ . 1 . 2]" 15 . 1 17 LYS C 1 18 SER N 1 18 SER CA 1 18 SER C -90.30 -43.10 -63.83 -66.25 -68.51 . . 0 "[ . 1 . 2]" 16 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 LYS N -65.10 -7.90 -34.12 -45.95 -25.15 . . 0 "[ . 1 . 2]" 17 . 1 18 SER C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -77.90 -46.10 -65.65 -69.14 -70.11 . . 0 "[ . 1 . 2]" 18 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 GLU N -57.00 -29.00 -38.35 -41.23 -42.89 0.05 8 0 "[ . 1 . 2]" 19 . 1 19 LYS C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -81.10 -51.70 -73.23 -81.53 -66.55 0.43 18 0 "[ . 1 . 2]" 20 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 VAL N -53.30 -17.30 -44.08 -39.89 -41.50 0.13 7 0 "[ . 1 . 2]" 21 . 1 20 GLU C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -83.50 -51.30 -62.95 -67.84 -58.51 . . 0 "[ . 1 . 2]" 22 . 1 21 VAL N 1 21 VAL CA 1 21 VAL CB 1 21 VAL CG1 165.00 -165.00 177.80 177.21 176.70 . . 0 "[ . 1 . 2]" 23 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 PHE N -56.50 -32.30 -44.71 -51.67 -41.06 . . 0 "[ . 1 . 2]" 24 . 1 21 VAL C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -68.50 -50.50 -62.82 -56.50 -57.84 0.07 18 0 "[ . 1 . 2]" 25 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ARG N -53.80 -34.20 -53.36 -53.29 -53.59 0.53 17 0 "[ . 1 . 2]" 26 . 1 22 PHE C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -82.20 -46.00 -59.97 -61.10 -61.34 . . 0 "[ . 1 . 2]" 27 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 LYS N -55.40 -27.00 -30.35 -34.26 -26.43 0.57 16 0 "[ . 1 . 2]" 28 . 1 23 ARG C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -85.10 -44.30 -70.05 -70.58 -71.30 . . 0 "[ . 1 . 2]" 29 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 GLU N -60.20 -24.20 -48.28 -54.87 -42.06 . . 0 "[ . 1 . 2]" 30 . 1 24 LYS C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -78.60 -52.60 -67.09 -75.96 -59.25 . . 0 "[ . 1 . 2]" 31 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 MET N -60.40 -27.20 -38.63 -32.62 -43.81 0.24 15 0 "[ . 1 . 2]" 32 . 1 25 GLU C 1 26 MET N 1 26 MET CA 1 26 MET C -88.50 -45.50 -71.60 -78.96 -62.30 . . 0 "[ . 1 . 2]" 33 . 1 26 MET N 1 26 MET CA 1 26 MET C 1 27 SER N -69.00 -13.00 -37.22 -36.32 -37.72 . . 0 "[ . 1 . 2]" 34 . 1 26 MET C 1 27 SER N 1 27 SER CA 1 27 SER C -85.40 -47.40 -62.11 -64.65 -60.53 . . 0 "[ . 1 . 2]" 35 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 GLN N -69.00 -9.60 -40.42 -43.67 -36.37 . . 0 "[ . 1 . 2]" 36 . 1 27 SER C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -90.60 -41.20 -70.12 -69.96 -70.64 . . 0 "[ . 1 . 2]" 37 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 PHE N -69.50 -9.50 -42.86 -47.56 -38.19 . . 0 "[ . 1 . 2]" 38 . 1 28 GLN C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -91.90 -47.30 -59.40 -60.65 -61.49 . . 0 "[ . 1 . 2]" 39 . 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 ILE N -72.40 -10.00 -48.95 -47.43 -47.84 . . 0 "[ . 1 . 2]" 40 . 1 29 PHE C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -72.40 -52.40 -63.92 -65.39 -62.72 . . 0 "[ . 1 . 2]" 41 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 VAL N -74.30 -13.50 -44.12 -44.25 -44.67 . . 0 "[ . 1 . 2]" 42 . 1 30 ILE C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -98.60 -29.00 -51.99 -54.26 -50.34 . . 0 "[ . 1 . 2]" 43 . 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 159.80 -159.80 163.00 161.72 161.26 . . 0 "[ . 1 . 2]" 44 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 GLN N -81.20 -6.80 -47.73 -48.02 -48.44 . . 0 "[ . 1 . 2]" 45 . 1 31 VAL C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -77.60 -46.00 -60.31 -59.00 -59.34 . . 0 "[ . 1 . 2]" 46 . 1 32 GLN N 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 165.00 -165.00 -175.95 177.33 -162.20 2.80 5 0 "[ . 1 . 2]" 47 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 CYS N -60.00 -21.60 -42.14 -43.28 -43.76 . . 0 "[ . 1 . 2]" 48 . 1 32 GLN C 1 33 CYS N 1 33 CYS CA 1 33 CYS C -80.30 -43.30 -65.77 -68.26 -62.55 . . 0 "[ . 1 . 2]" 49 . 1 33 CYS N 1 33 CYS CA 1 33 CYS C 1 34 LEU N -73.90 -11.10 -36.99 -37.51 -37.56 . . 0 "[ . 1 . 2]" 50 . 1 33 CYS C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -117.90 -45.90 -80.33 -82.03 -79.19 . . 0 "[ . 1 . 2]" 51 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 ASN N -101.00 45.40 -21.32 -23.09 -23.71 . . 0 "[ . 1 . 2]" 52 . 1 34 LEU C 1 35 ASN N 1 35 ASN CA 1 35 ASN C -79.40 -25.00 -40.29 -42.40 -37.64 . . 0 "[ . 1 . 2]" 53 . 1 35 ASN N 1 35 ASN CA 1 35 ASN C 1 36 PRO N -73.70 -14.10 -50.46 -52.98 -48.29 . . 0 "[ . 1 . 2]" 54 . 1 35 ASN C 1 36 PRO N 1 36 PRO CA 1 36 PRO C -100.50 -31.10 -68.42 -68.98 -69.28 . . 0 "[ . 1 . 2]" 55 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 TYR N -72.50 11.10 -16.56 -16.21 -16.82 . . 0 "[ . 1 . 2]" 56 . 1 38 ARG C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -104.60 -48.20 -74.84 -72.79 -75.46 . . 0 "[ . 1 . 2]" 57 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 PRO N 108.40 -172.00 140.99 132.32 153.16 . . 0 "[ . 1 . 2]" 58 . 1 39 LYS C 1 40 PRO N 1 40 PRO CA 1 40 PRO C -82.10 -36.30 -66.24 -62.52 -62.60 . . 0 "[ . 1 . 2]" 59 . 1 40 PRO N 1 40 PRO CA 1 40 PRO C 1 41 ASP N -51.50 7.30 -9.87 -17.17 7.41 0.11 4 0 "[ . 1 . 2]" 60 . 1 41 ASP C 1 42 CYS N 1 42 CYS CA 1 42 CYS C -115.10 -33.50 -63.18 -66.86 -67.13 . . 0 "[ . 1 . 2]" 61 . 1 42 CYS N 1 42 CYS CA 1 42 CYS C 1 43 LYS N 90.10 177.10 130.14 129.38 126.34 . . 0 "[ . 1 . 2]" 62 . 1 43 LYS C 1 44 VAL N 1 44 VAL CA 1 44 VAL C 177.30 -76.50 -134.75 -147.23 -125.57 . . 0 "[ . 1 . 2]" 63 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 GLY N 73.70 -146.10 124.11 116.04 131.46 . . 0 "[ . 1 . 2]" 64 . 1 47 ILE C 1 48 THR N 1 48 THR CA 1 48 THR C -143.00 -27.60 -61.76 -62.63 -64.55 . . 0 "[ . 1 . 2]" 65 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 THR N -65.00 23.40 -58.47 -65.34 -50.66 0.34 19 0 "[ . 1 . 2]" 66 . 1 48 THR C 1 49 THR N 1 49 THR CA 1 49 THR C 172.60 -69.00 -131.79 -121.16 -127.21 . . 0 "[ . 1 . 2]" 67 . 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 THR N 134.40 176.00 159.51 152.51 169.03 . . 0 "[ . 1 . 2]" 68 . 1 50 THR C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -71.10 -53.10 -61.89 -65.19 -57.05 . . 0 "[ . 1 . 2]" 69 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ASP N -55.00 -20.40 -35.22 -33.02 -33.46 . . 0 "[ . 1 . 2]" 70 . 1 51 GLU C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -87.10 -50.90 -72.76 -74.08 -74.21 . . 0 "[ . 1 . 2]" 71 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 PHE N -68.00 -8.00 -41.15 -43.23 -37.38 . . 0 "[ . 1 . 2]" 72 . 1 52 ASP C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -86.50 -38.90 -56.76 -57.47 -57.51 . . 0 "[ . 1 . 2]" 73 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 LYS N -65.60 -24.00 -50.99 -52.26 -52.64 . . 0 "[ . 1 . 2]" 74 . 1 53 PHE C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -78.50 -44.50 -62.81 -61.14 -61.74 . . 0 "[ . 1 . 2]" 75 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 HIS N -50.90 -26.10 -41.11 -43.13 -38.63 . . 0 "[ . 1 . 2]" 76 . 1 54 LYS C 1 55 HIS N 1 55 HIS CA 1 55 HIS C -81.80 -52.20 -62.48 -64.45 -64.55 . . 0 "[ . 1 . 2]" 77 . 1 55 HIS N 1 55 HIS CA 1 55 HIS CB 1 55 HIS CG 165.00 -165.00 177.38 173.08 -179.27 . . 0 "[ . 1 . 2]" 78 . 1 55 HIS N 1 55 HIS CA 1 55 HIS C 1 56 LEU N -64.70 -20.10 -48.24 -50.66 -45.06 . . 0 "[ . 1 . 2]" 79 . 1 55 HIS C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -96.90 -40.30 -68.76 -73.63 -65.23 . . 0 "[ . 1 . 2]" 80 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 ALA N -60.00 -22.40 -44.15 -48.89 -38.47 . . 0 "[ . 1 . 2]" 81 . 1 56 LEU C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -83.10 -45.70 -55.33 -57.24 -53.37 . . 0 "[ . 1 . 2]" 82 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 ARG N -53.10 -23.70 -41.10 -43.39 -38.15 . . 0 "[ . 1 . 2]" 83 . 1 57 ALA C 1 58 ARG N 1 58 ARG CA 1 58 ARG C -73.20 -53.60 -66.12 -73.26 -58.32 0.06 3 0 "[ . 1 . 2]" 84 . 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 LYS N -59.40 -27.20 -46.45 -47.19 -48.67 . . 0 "[ . 1 . 2]" 85 . 1 58 ARG C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -85.90 -44.90 -61.58 -59.07 -59.51 . . 0 "[ . 1 . 2]" 86 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 LEU N -61.80 -20.00 -44.75 -50.86 -40.54 . . 0 "[ . 1 . 2]" 87 . 1 59 LYS C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -82.10 -53.30 -67.97 -65.09 -65.72 . . 0 "[ . 1 . 2]" 88 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 THR N -65.40 -17.00 -41.36 -40.85 -41.00 . . 0 "[ . 1 . 2]" 89 . 1 60 LEU C 1 61 THR N 1 61 THR CA 1 61 THR C -95.60 -37.60 -57.42 -56.88 -56.99 . . 0 "[ . 1 . 2]" 90 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 HIS N -63.30 -20.50 -42.18 -41.99 -42.16 . . 0 "[ . 1 . 2]" 91 . 1 61 THR C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -83.20 -44.60 -73.63 -78.64 -69.02 . . 0 "[ . 1 . 2]" 92 . 1 62 HIS N 1 62 HIS CA 1 62 HIS CB 1 62 HIS CG 165.00 -165.00 -173.22 -178.23 -179.62 1.23 13 0 "[ . 1 . 2]" 93 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 GLY N -64.90 -7.90 -32.88 -33.34 -34.53 . . 0 "[ . 1 . 2]" 94 . 1 62 HIS C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -86.30 -44.30 -73.93 -78.01 -69.76 . . 0 "[ . 1 . 2]" 95 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 VAL N -62.20 -21.40 -39.15 -45.37 -33.53 . . 0 "[ . 1 . 2]" 96 . 1 63 GLY C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -77.40 -56.80 -65.67 -69.84 -61.92 . . 0 "[ . 1 . 2]" 97 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 MET N -55.10 -24.90 -38.89 -40.55 -42.13 . . 0 "[ . 1 . 2]" 98 . 1 64 VAL C 1 65 MET N 1 65 MET CA 1 65 MET C -68.60 -49.00 -60.95 -60.46 -60.82 . . 0 "[ . 1 . 2]" 99 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 ASN N -54.70 -32.50 -49.77 -50.18 -50.77 . . 0 "[ . 1 . 2]" 100 . 1 65 MET C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -77.50 -50.30 -64.43 -68.49 -60.68 . . 0 "[ . 1 . 2]" 101 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 LYS N -61.30 -19.30 -41.88 -42.65 -42.96 . . 0 "[ . 1 . 2]" 102 . 1 66 ASN C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -81.60 -42.00 -61.91 -64.05 -66.70 . . 0 "[ . 1 . 2]" 103 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 GLU N -49.70 -24.50 -45.31 -50.17 -39.08 0.47 15 0 "[ . 1 . 2]" 104 . 1 67 LYS C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -90.00 -43.20 -76.35 -75.98 -76.81 . . 0 "[ . 1 . 2]" 105 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 LEU N -68.40 -9.40 -36.43 -39.99 -28.91 . . 0 "[ . 1 . 2]" 106 . 1 68 GLU C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -85.90 -41.50 -58.70 -62.17 -53.90 . . 0 "[ . 1 . 2]" 107 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LYS N -54.20 -25.40 -28.23 -26.53 -27.97 2.33 12 0 "[ . 1 . 2]" 108 . 1 69 LEU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -92.20 -39.40 -81.46 -92.47 -69.93 0.27 7 0 "[ . 1 . 2]" 109 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 TYR N -54.20 -13.00 -34.13 -42.13 -49.18 0.25 8 0 "[ . 1 . 2]" 110 . 1 70 LYS C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -155.20 -26.80 -91.11 -112.45 -73.30 . . 0 "[ . 1 . 2]" 111 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 CYS N -61.70 41.90 -23.13 -35.42 14.35 . . 0 "[ . 1 . 2]" 112 . 1 73 LYS C 1 74 ASN N 1 74 ASN CA 1 74 ASN C -168.00 -72.00 -107.91 -102.04 -105.14 . . 0 "[ . 1 . 2]" 113 . 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 PRO N 40.40 -139.60 121.01 117.10 111.03 . . 0 "[ . 1 . 2]" 114 . 1 74 ASN C 1 75 PRO N 1 75 PRO CA 1 75 PRO C -72.00 -52.00 -72.18 -73.62 -68.86 1.62 19 0 "[ . 1 . 2]" 115 . 1 75 PRO N 1 75 PRO CA 1 75 PRO C 1 76 GLU N -35.00 165.00 4.44 -9.73 11.57 . . 0 "[ . 1 . 2]" 116 . 1 75 PRO C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -94.30 -40.10 -70.16 -76.30 -60.70 . . 0 "[ . 1 . 2]" 117 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ASP N -75.70 25.30 -8.41 -10.75 -13.60 . . 0 "[ . 1 . 2]" 118 . 1 76 GLU N 1 76 GLU CA 1 76 GLU CB 1 76 GLU CG 150.00 -150.00 -172.42 -166.97 -167.46 . . 0 "[ . 1 . 2]" 119 . 1 76 GLU C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -140.20 -40.20 -117.59 -133.20 -100.72 . . 0 "[ . 1 . 2]" 120 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 LEU N -66.00 39.80 0.86 -15.35 10.73 . . 0 "[ . 1 . 2]" 121 . 1 77 ASP C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -122.70 -39.70 -89.61 -85.88 -87.54 . . 0 "[ . 1 . 2]" 122 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLU N 97.90 165.90 100.38 96.99 96.57 1.33 1 0 "[ . 1 . 2]" 123 . 1 78 LEU C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -174.00 -36.00 -146.10 -142.22 -144.64 . . 0 "[ . 1 . 2]" 124 . 1 79 GLU N 1 79 GLU CA 1 79 GLU CB 1 79 GLU CG 165.00 -165.00 176.02 172.97 172.41 . . 0 "[ . 1 . 2]" 125 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 CYS N 86.00 164.00 146.76 142.36 150.66 . . 0 "[ . 1 . 2]" 126 . 1 79 GLU C 1 80 CYS N 1 80 CYS CA 1 80 CYS C -131.00 -41.00 -84.66 -85.00 -85.34 . . 0 "[ . 1 . 2]" 127 . 1 80 CYS N 1 80 CYS CA 1 80 CYS CB 1 80 CYS SG 150.00 -150.00 173.80 174.88 174.07 . . 0 "[ . 1 . 2]" 128 . 1 80 CYS N 1 80 CYS CA 1 80 CYS C 1 81 ASN N 57.00 177.00 71.67 68.25 74.94 . . 0 "[ . 1 . 2]" 129 . 1 80 CYS C 1 81 ASN N 1 81 ASN CA 1 81 ASN C -176.00 -32.00 -98.69 -97.10 -97.44 . . 0 "[ . 1 . 2]" 130 . 1 81 ASN N 1 81 ASN CA 1 81 ASN CB 1 81 ASN CG 30.00 90.00 68.33 71.45 70.15 . . 0 "[ . 1 . 2]" 131 . 1 81 ASN N 1 81 ASN CA 1 81 ASN C 1 82 GLU N 51.00 -105.00 -175.25 -179.26 179.66 . . 0 "[ . 1 . 2]" 132 . 1 81 ASN C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -78.00 -39.60 -52.94 -60.18 -47.94 . . 0 "[ . 1 . 2]" 133 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 ASN N -54.70 -15.90 -53.67 -54.63 -54.84 0.76 13 0 "[ . 1 . 2]" 134 . 1 82 GLU C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -75.00 -51.00 -52.71 -54.61 -55.10 0.41 20 0 "[ . 1 . 2]" 135 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 VAL N -56.90 -21.70 -50.71 -52.37 -48.48 . . 0 "[ . 1 . 2]" 136 . 1 83 ASN C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -84.50 -47.90 -63.06 -61.45 -61.78 . . 0 "[ . 1 . 2]" 137 . 1 84 VAL N 1 84 VAL CA 1 84 VAL CB 1 84 VAL CG1 165.50 -164.50 173.73 170.57 170.21 . . 0 "[ . 1 . 2]" 138 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 LYS N -59.00 -22.00 -46.78 -45.13 -45.15 . . 0 "[ . 1 . 2]" 139 . 1 84 VAL C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -72.30 -55.50 -56.06 -56.08 -56.41 0.74 20 0 "[ . 1 . 2]" 140 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 HIS N -54.50 -26.90 -48.36 -47.76 -48.06 . . 0 "[ . 1 . 2]" 141 . 1 85 LYS C 1 86 HIS N 1 86 HIS CA 1 86 HIS C -77.00 -47.80 -53.60 -57.82 -50.37 . . 0 "[ . 1 . 2]" 142 . 1 86 HIS N 1 86 HIS CA 1 86 HIS C 1 87 LYS N -56.10 -33.30 -53.10 -53.34 -53.63 0.32 8 0 "[ . 1 . 2]" 143 . 1 86 HIS C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -80.60 -51.80 -62.08 -62.11 -62.70 . . 0 "[ . 1 . 2]" 144 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 THR N -59.10 -15.90 -35.46 -33.15 -34.33 . . 0 "[ . 1 . 2]" 145 . 1 87 LYS C 1 88 THR N 1 88 THR CA 1 88 THR C -96.20 -47.40 -72.89 -76.45 -69.78 . . 0 "[ . 1 . 2]" 146 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 LYS N -59.50 -18.10 -60.15 -61.02 -59.55 1.52 12 0 "[ . 1 . 2]" 147 . 1 88 THR C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -81.00 -46.00 -62.43 -64.78 -60.09 . . 0 "[ . 1 . 2]" 148 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 GLU N -53.80 -24.20 -33.69 -32.17 -33.13 . . 0 "[ . 1 . 2]" 149 . 1 89 LYS C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -86.10 -49.10 -67.35 -68.42 -69.05 . . 0 "[ . 1 . 2]" 150 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 TYR N -70.90 -5.90 -37.44 -44.39 -32.69 . . 0 "[ . 1 . 2]" 151 . 1 90 GLU C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -93.00 -44.60 -67.12 -69.04 -65.82 . . 0 "[ . 1 . 2]" 152 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 ILE N -64.10 -15.10 -48.31 -47.36 -47.41 . . 0 "[ . 1 . 2]" 153 . 1 91 TYR C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -76.90 -51.10 -50.87 -52.48 -50.30 0.80 14 0 "[ . 1 . 2]" 154 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 LYS N -61.00 -27.00 -54.21 -55.95 -56.09 . . 0 "[ . 1 . 2]" 155 . 1 92 ILE C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -74.40 -42.40 -54.85 -59.35 -49.40 . . 0 "[ . 1 . 2]" 156 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 LYS N -61.90 -27.10 -52.72 -50.24 -51.73 . . 0 "[ . 1 . 2]" 157 . 1 93 LYS C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -77.90 -53.90 -65.76 -68.85 -62.34 . . 0 "[ . 1 . 2]" 158 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 TYR N -58.40 -25.40 -32.98 -31.01 -31.70 . . 0 "[ . 1 . 2]" 159 . 1 94 LYS C 1 95 TYR N 1 95 TYR CA 1 95 TYR C -93.60 -34.00 -65.29 -68.29 -61.50 . . 0 "[ . 1 . 2]" 160 . 1 95 TYR N 1 95 TYR CA 1 95 TYR C 1 96 MET N -67.40 -14.20 -52.87 -51.96 -52.48 . . 0 "[ . 1 . 2]" 161 . 1 95 TYR C 1 96 MET N 1 96 MET CA 1 96 MET C -79.50 -44.10 -64.52 -62.85 -64.59 . . 0 "[ . 1 . 2]" 162 . 1 96 MET N 1 96 MET CA 1 96 MET C 1 97 GLN N -70.60 12.40 -21.22 -26.38 -17.80 . . 0 "[ . 1 . 2]" 163 . 1 96 MET C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -117.90 -22.70 -64.37 -64.37 -65.00 . . 0 "[ . 1 . 2]" 164 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 LYS N -65.50 5.10 -20.24 -24.92 -17.20 . . 0 "[ . 1 . 2]" 165 . 1 98 LYS C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -135.70 -27.50 -76.07 -86.08 -70.17 . . 0 "[ . 1 . 2]" 166 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 GLY N -89.00 34.80 -36.05 -45.86 -25.67 . . 0 "[ . 1 . 2]" 167 . 1 100 GLY C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -120.70 -36.50 -80.73 -92.83 -73.62 . . 0 "[ . 1 . 2]" 168 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 VAL N -77.60 1.00 -44.68 -47.06 -50.78 . . 0 "[ . 1 . 2]" 169 . 1 101 ALA C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -174.70 -78.50 -119.52 -125.10 -115.13 . . 0 "[ . 1 . 2]" 170 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 TYR N 114.00 -165.40 153.61 153.10 152.56 . . 0 "[ . 1 . 2]" 171 . 1 103 TYR C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -162.70 -28.50 -115.58 -120.53 -123.48 . . 0 "[ . 1 . 2]" 172 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 PRO N 60.00 -155.40 90.41 88.35 88.19 . . 0 "[ . 1 . 2]" 173 . 1 105 PRO C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -118.60 -32.00 -59.79 -63.85 -65.30 . . 0 "[ . 1 . 2]" 174 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 GLU N -99.20 55.20 -18.65 -25.07 -3.50 . . 0 "[ . 1 . 2]" 175 . 1 107 GLU C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -160.00 -40.00 -68.97 -79.64 -80.41 . . 0 "[ . 1 . 2]" 176 . 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 THR N -50.00 -170.00 167.86 -174.84 177.68 1.10 2 0 "[ . 1 . 2]" 177 . 1 108 ASP C 1 109 THR N 1 109 THR CA 1 109 THR C -96.00 -36.00 -68.57 -87.87 -53.45 . . 0 "[ . 1 . 2]" stop_ save_
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