NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
545815 | 2ls7 | 18412 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ls7 save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 230 _TA_constraint_stats_list.Viol_count 30 _TA_constraint_stats_list.Viol_total 1347.68 _TA_constraint_stats_list.Viol_max 4.42 _TA_constraint_stats_list.Viol_rms 0.21 _TA_constraint_stats_list.Viol_average_all_restraints 0.01 _TA_constraint_stats_list.Viol_average_violations_only 2.25 _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 1 MET C 1 2 ALA N 1 2 ALA CA 1 2 ALA C -93.00 -33.00 -64.39 -65.51 -65.71 . . 0 "[ . 1 . 2]" 2 . 1 2 ALA N 1 2 ALA CA 1 2 ALA C 1 3 GLU N -74.00 -14.00 -47.29 -53.24 -40.20 . . 0 "[ . 1 . 2]" 3 . 1 2 ALA C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -94.00 -34.00 -56.76 -56.15 -56.44 . . 0 "[ . 1 . 2]" 4 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 TYR N -69.00 -9.00 -40.76 -47.16 -32.69 . . 0 "[ . 1 . 2]" 5 . 1 3 GLU C 1 4 TYR N 1 4 TYR CA 1 4 TYR C -92.00 -32.00 -59.61 -61.46 -57.65 . . 0 "[ . 1 . 2]" 6 . 1 4 TYR N 1 4 TYR CA 1 4 TYR C 1 5 GLY N -73.00 -13.00 -44.26 -46.62 -41.38 . . 0 "[ . 1 . 2]" 7 . 1 4 TYR C 1 5 GLY N 1 5 GLY CA 1 5 GLY C -94.00 -34.00 -54.65 -55.74 -54.02 . . 0 "[ . 1 . 2]" 8 . 1 5 GLY N 1 5 GLY CA 1 5 GLY C 1 6 THR N -70.00 -10.00 -46.80 -46.41 -46.56 . . 0 "[ . 1 . 2]" 9 . 1 5 GLY C 1 6 THR N 1 6 THR CA 1 6 THR C -93.00 -33.00 -67.29 -67.81 -66.63 . . 0 "[ . 1 . 2]" 10 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 LEU N -74.00 -14.00 -42.63 -44.80 -40.59 . . 0 "[ . 1 . 2]" 11 . 1 6 THR C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -91.00 -31.00 -50.10 -51.59 -48.54 . . 0 "[ . 1 . 2]" 12 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 LEU N -72.00 -12.00 -50.16 -52.35 -48.11 . . 0 "[ . 1 . 2]" 13 . 1 7 LEU C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -94.00 -34.00 -57.38 -57.50 -57.78 . . 0 "[ . 1 . 2]" 14 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 GLN N -73.00 -13.00 -42.26 -43.35 -41.22 . . 0 "[ . 1 . 2]" 15 . 1 8 LEU C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -93.00 -33.00 -68.75 -70.07 -66.68 . . 0 "[ . 1 . 2]" 16 . 1 9 GLN N 1 9 GLN CA 1 9 GLN C 1 10 ASP N -71.00 -11.00 -33.81 -37.05 -29.65 . . 0 "[ . 1 . 2]" 17 . 1 9 GLN C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -92.00 -32.00 -64.06 -65.72 -61.89 . . 0 "[ . 1 . 2]" 18 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 LEU N -73.00 -13.00 -46.71 -42.37 -43.34 . . 0 "[ . 1 . 2]" 19 . 1 10 ASP C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -93.00 -33.00 -69.47 -68.37 -68.77 . . 0 "[ . 1 . 2]" 20 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 THR N -72.00 -12.00 -38.07 -39.63 -35.70 . . 0 "[ . 1 . 2]" 21 . 1 11 LEU C 1 12 THR N 1 12 THR CA 1 12 THR C -93.00 -33.00 -57.41 -56.79 -56.90 . . 0 "[ . 1 . 2]" 22 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 ASN N -74.00 -14.00 -37.62 -41.46 -33.91 . . 0 "[ . 1 . 2]" 23 . 1 12 THR C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -98.00 -38.00 -62.43 -63.90 -61.29 . . 0 "[ . 1 . 2]" 24 . 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 ASN N -60.00 0.00 -34.28 -33.02 -33.40 . . 0 "[ . 1 . 2]" 25 . 1 13 ASN C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -160.00 -80.00 -92.25 -95.36 -89.59 . . 0 "[ . 1 . 2]" 26 . 1 14 ASN C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -158.00 -78.00 -79.29 -77.03 -77.23 1.13 19 0 "[ . 1 . 2]" 27 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 THR N 92.00 152.00 115.60 110.44 120.64 . . 0 "[ . 1 . 2]" 28 . 1 15 ILE C 1 16 THR N 1 16 THR CA 1 16 THR C -117.00 -57.00 -90.42 -91.24 -91.26 . . 0 "[ . 1 . 2]" 29 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 LEU N 132.00 -168.00 158.87 162.14 159.74 . . 0 "[ . 1 . 2]" 30 . 1 16 THR C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -94.00 -34.00 -52.25 -52.58 -52.96 . . 0 "[ . 1 . 2]" 31 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 GLU N -65.00 -5.00 -43.33 -46.65 -39.56 . . 0 "[ . 1 . 2]" 32 . 1 17 LEU C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -95.00 -35.00 -64.81 -62.49 -63.18 . . 0 "[ . 1 . 2]" 33 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ASP N -71.00 -11.00 -45.46 -49.35 -41.35 . . 0 "[ . 1 . 2]" 34 . 1 18 GLU C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -94.00 -34.00 -55.62 -57.30 -53.62 . . 0 "[ . 1 . 2]" 35 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 LEU N -76.00 -16.00 -51.23 -53.68 -47.58 . . 0 "[ . 1 . 2]" 36 . 1 19 ASP C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -90.00 -30.00 -56.59 -55.84 -55.94 . . 0 "[ . 1 . 2]" 37 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 GLU N -72.00 -12.00 -42.31 -46.36 -39.49 . . 0 "[ . 1 . 2]" 38 . 1 20 LEU C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -91.00 -31.00 -57.63 -60.80 -53.62 . . 0 "[ . 1 . 2]" 39 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 GLN N -70.00 -10.00 -35.86 -40.51 -41.30 . . 0 "[ . 1 . 2]" 40 . 1 21 GLU C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -92.00 -32.00 -70.78 -73.14 -68.70 . . 0 "[ . 1 . 2]" 41 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 LEU N -73.00 -13.00 -42.28 -40.94 -42.16 . . 0 "[ . 1 . 2]" 42 . 1 22 GLN C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -94.00 -34.00 -60.76 -60.04 -60.42 . . 0 "[ . 1 . 2]" 43 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 LYS N -69.00 -9.00 -43.63 -45.37 -40.46 . . 0 "[ . 1 . 2]" 44 . 1 23 LEU C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -92.00 -32.00 -59.07 -61.59 -55.88 . . 0 "[ . 1 . 2]" 45 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 SER N -71.00 -11.00 -40.99 -39.67 -41.13 . . 0 "[ . 1 . 2]" 46 . 1 24 LYS C 1 25 SER N 1 25 SER CA 1 25 SER C -95.00 -35.00 -61.08 -62.31 -59.28 . . 0 "[ . 1 . 2]" 47 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 ALA N -71.00 -11.00 -43.42 -43.05 -43.34 . . 0 "[ . 1 . 2]" 48 . 1 25 SER C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -91.00 -31.00 -63.93 -63.82 -63.93 . . 0 "[ . 1 . 2]" 49 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 CYS N -75.00 -15.00 -46.16 -49.37 -43.34 . . 0 "[ . 1 . 2]" 50 . 1 26 ALA C 1 27 CYS N 1 27 CYS CA 1 27 CYS C -110.00 -50.00 -77.18 -77.44 -77.69 . . 0 "[ . 1 . 2]" 51 . 1 27 CYS N 1 27 CYS CA 1 27 CYS C 1 28 LYS N -82.00 -2.00 1.04 -1.79 2.42 4.42 4 0 "[ . 1 . 2]" 52 . 1 27 CYS C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -92.00 -32.00 -53.66 -57.36 -47.42 . . 0 "[ . 1 . 2]" 53 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 GLU N -83.00 -3.00 -36.34 -33.48 -34.53 . . 0 "[ . 1 . 2]" 54 . 1 28 LYS C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -95.00 -35.00 -72.12 -75.42 -69.16 . . 0 "[ . 1 . 2]" 55 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N -72.00 -12.00 -40.51 -44.86 -36.63 . . 0 "[ . 1 . 2]" 56 . 1 29 GLU C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -115.00 -55.00 -84.21 -87.63 -81.88 . . 0 "[ . 1 . 2]" 57 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 ILE N -53.00 7.00 -45.66 -49.69 -42.31 . . 0 "[ . 1 . 2]" 58 . 1 30 ASP C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -154.00 -74.00 -96.30 -102.33 -91.69 . . 0 "[ . 1 . 2]" 59 . 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 PRO N 94.00 154.00 132.89 132.33 132.20 . . 0 "[ . 1 . 2]" 60 . 1 31 ILE C 1 32 PRO N 1 32 PRO CA 1 32 PRO C -93.00 -33.00 -58.56 -59.78 -60.78 . . 0 "[ . 1 . 2]" 61 . 1 32 PRO N 1 32 PRO CA 1 32 PRO C 1 33 SER N 116.00 176.00 139.36 133.73 144.85 . . 0 "[ . 1 . 2]" 62 . 1 32 PRO C 1 33 SER N 1 33 SER CA 1 33 SER C -92.00 -32.00 -52.14 -54.91 -49.68 . . 0 "[ . 1 . 2]" 63 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 GLU N -65.00 -5.00 -45.79 -44.57 -45.35 . . 0 "[ . 1 . 2]" 64 . 1 33 SER C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -93.00 -33.00 -54.20 -55.44 -56.10 . . 0 "[ . 1 . 2]" 65 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 LYS N -64.00 -4.00 -38.93 -42.82 -28.69 . . 0 "[ . 1 . 2]" 66 . 1 34 GLU C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -114.00 -34.00 -86.48 -85.97 -86.29 . . 0 "[ . 1 . 2]" 67 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 SER N -57.00 3.00 -42.98 -41.87 -42.97 . . 0 "[ . 1 . 2]" 68 . 1 35 LYS C 1 36 SER N 1 36 SER CA 1 36 SER C -90.00 -30.00 -52.71 -48.89 -51.11 . . 0 "[ . 1 . 2]" 69 . 1 36 SER N 1 36 SER CA 1 36 SER C 1 37 GLU N -73.00 -13.00 -31.11 -38.82 -24.64 . . 0 "[ . 1 . 2]" 70 . 1 36 SER C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -93.00 -33.00 -59.43 -63.01 -55.95 . . 0 "[ . 1 . 2]" 71 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 GLU N -61.00 -1.00 -46.89 -50.25 -52.03 . . 0 "[ . 1 . 2]" 72 . 1 37 GLU C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -115.00 -55.00 -82.86 -88.01 -79.62 . . 0 "[ . 1 . 2]" 73 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ILE N -39.00 21.00 0.21 -20.10 21.41 0.41 1 0 "[ . 1 . 2]" 74 . 1 38 GLU C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -115.00 -55.00 -80.72 -84.52 -85.69 . . 0 "[ . 1 . 2]" 75 . 1 39 ILE C 1 40 THR N 1 40 THR CA 1 40 THR C -110.00 -50.00 -87.34 -85.77 -86.85 . . 0 "[ . 1 . 2]" 76 . 1 40 THR C 1 41 THR N 1 41 THR CA 1 41 THR C -180.00 -120.00 -158.95 -159.70 -160.21 . . 0 "[ . 1 . 2]" 77 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 GLY N 131.00 -169.00 150.49 148.83 148.71 . . 0 "[ . 1 . 2]" 78 . 1 41 THR C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -91.00 -31.00 -63.28 -64.48 -61.43 . . 0 "[ . 1 . 2]" 79 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 SER N -66.00 -6.00 -49.87 -49.79 -49.99 . . 0 "[ . 1 . 2]" 80 . 1 42 GLY C 1 43 SER N 1 43 SER CA 1 43 SER C -91.00 -31.00 -53.10 -52.78 -52.90 . . 0 "[ . 1 . 2]" 81 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 ALA N -73.00 -13.00 -39.19 -42.66 -36.56 . . 0 "[ . 1 . 2]" 82 . 1 43 SER C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -97.00 -37.00 -55.32 -54.68 -54.91 . . 0 "[ . 1 . 2]" 83 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 TRP N -68.00 -8.00 -42.55 -43.52 -43.76 . . 0 "[ . 1 . 2]" 84 . 1 44 ALA C 1 45 TRP N 1 45 TRP CA 1 45 TRP C -95.00 -35.00 -71.91 -71.69 -71.72 . . 0 "[ . 1 . 2]" 85 . 1 45 TRP N 1 45 TRP CA 1 45 TRP C 1 46 PHE N -73.00 -13.00 -45.90 -49.09 -39.36 . . 0 "[ . 1 . 2]" 86 . 1 45 TRP C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -89.00 -29.00 -58.26 -59.28 -60.38 . . 0 "[ . 1 . 2]" 87 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 SER N -71.00 -11.00 -51.21 -49.80 -50.72 . . 0 "[ . 1 . 2]" 88 . 1 46 PHE C 1 47 SER N 1 47 SER CA 1 47 SER C -93.00 -33.00 -59.87 -60.14 -60.33 . . 0 "[ . 1 . 2]" 89 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 PHE N -71.00 -11.00 -34.98 -37.30 -33.25 . . 0 "[ . 1 . 2]" 90 . 1 47 SER C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -96.00 -36.00 -64.18 -65.34 -63.07 . . 0 "[ . 1 . 2]" 91 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 LEU N -74.00 -14.00 -54.14 -53.97 -54.34 . . 0 "[ . 1 . 2]" 92 . 1 48 PHE C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -93.00 -33.00 -58.09 -59.86 -56.79 . . 0 "[ . 1 . 2]" 93 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 GLU N -74.00 -14.00 -48.27 -50.42 -45.14 . . 0 "[ . 1 . 2]" 94 . 1 49 LEU C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -93.00 -33.00 -55.73 -56.68 -57.27 . . 0 "[ . 1 . 2]" 95 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 SER N -72.00 -12.00 -41.87 -42.41 -42.95 . . 0 "[ . 1 . 2]" 96 . 1 50 GLU C 1 51 SER N 1 51 SER CA 1 51 SER C -96.00 -36.00 -59.75 -60.60 -60.62 . . 0 "[ . 1 . 2]" 97 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 HIS N -73.00 -13.00 -31.49 -31.71 -32.56 . . 0 "[ . 1 . 2]" 98 . 1 51 SER C 1 52 HIS N 1 52 HIS CA 1 52 HIS C -160.00 -80.00 -104.88 -108.09 -100.66 . . 0 "[ . 1 . 2]" 99 . 1 52 HIS C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -94.00 -34.00 -87.64 -93.49 -83.85 . . 0 "[ . 1 . 2]" 100 . 1 53 ASN C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -160.00 -80.00 -103.87 -110.97 -98.17 . . 0 "[ . 1 . 2]" 101 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 LEU N -33.00 27.00 -9.51 -21.52 10.72 . . 0 "[ . 1 . 2]" 102 . 1 55 LEU C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -90.00 -30.00 -71.17 -74.75 -68.45 . . 0 "[ . 1 . 2]" 103 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 LYS N 130.00 -170.00 170.49 149.18 -168.61 1.39 4 0 "[ . 1 . 2]" 104 . 1 56 ASP C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -94.00 -34.00 -57.34 -64.78 -44.53 . . 0 "[ . 1 . 2]" 105 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ASP N -56.00 4.00 -24.11 -24.48 -25.94 . . 0 "[ . 1 . 2]" 106 . 1 57 LYS C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -131.00 -51.00 -106.67 -131.00 -99.20 . . 0 "[ . 1 . 2]" 107 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ASN N -50.00 10.00 -37.90 -45.71 -32.02 . . 0 "[ . 1 . 2]" 108 . 1 58 ASP C 1 59 ASN N 1 59 ASN CA 1 59 ASN C -120.00 -60.00 -84.24 -86.75 -81.47 . . 0 "[ . 1 . 2]" 109 . 1 59 ASN N 1 59 ASN CA 1 59 ASN C 1 60 LEU N 93.00 153.00 129.02 121.03 142.28 . . 0 "[ . 1 . 2]" 110 . 1 59 ASN C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -160.00 -80.00 -128.97 -128.08 -131.06 . . 0 "[ . 1 . 2]" 111 . 1 60 LEU C 1 61 SER N 1 61 SER CA 1 61 SER C -94.00 -34.00 -49.04 -50.84 -46.51 . . 0 "[ . 1 . 2]" 112 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 TYR N -66.00 -6.00 -33.61 -31.77 -32.70 . . 0 "[ . 1 . 2]" 113 . 1 61 SER C 1 62 TYR N 1 62 TYR CA 1 62 TYR C -94.00 -34.00 -63.01 -61.62 -62.13 . . 0 "[ . 1 . 2]" 114 . 1 62 TYR N 1 62 TYR CA 1 62 TYR C 1 63 ILE N -74.00 -14.00 -49.30 -49.79 -50.12 . . 0 "[ . 1 . 2]" 115 . 1 62 TYR C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -95.00 -35.00 -76.44 -78.88 -73.81 . . 0 "[ . 1 . 2]" 116 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 GLU N -74.00 -14.00 -30.60 -30.82 -31.27 . . 0 "[ . 1 . 2]" 117 . 1 63 ILE C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -94.00 -34.00 -55.85 -55.96 -56.10 . . 0 "[ . 1 . 2]" 118 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 HIS N -75.00 -15.00 -52.50 -55.10 -49.47 . . 0 "[ . 1 . 2]" 119 . 1 64 GLU C 1 65 HIS N 1 65 HIS CA 1 65 HIS C -96.00 -36.00 -55.37 -56.43 -54.41 . . 0 "[ . 1 . 2]" 120 . 1 65 HIS N 1 65 HIS CA 1 65 HIS C 1 66 ILE N -75.00 -15.00 -48.66 -51.07 -45.58 . . 0 "[ . 1 . 2]" 121 . 1 65 HIS C 1 66 ILE N 1 66 ILE CA 1 66 ILE C -93.00 -33.00 -56.08 -55.73 -56.05 . . 0 "[ . 1 . 2]" 122 . 1 66 ILE N 1 66 ILE CA 1 66 ILE C 1 67 PHE N -66.00 -6.00 -45.89 -45.50 -45.63 . . 0 "[ . 1 . 2]" 123 . 1 66 ILE C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -93.00 -33.00 -62.43 -63.43 -61.58 . . 0 "[ . 1 . 2]" 124 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 GLU N -64.00 -4.00 -33.03 -34.59 -30.12 . . 0 "[ . 1 . 2]" 125 . 1 67 PHE C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -91.00 -31.00 -68.84 -71.83 -64.91 . . 0 "[ . 1 . 2]" 126 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 ILE N -73.00 -13.00 -53.43 -52.31 -53.47 . . 0 "[ . 1 . 2]" 127 . 1 68 GLU C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -94.00 -34.00 -66.19 -65.52 -65.89 . . 0 "[ . 1 . 2]" 128 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 SER N -69.00 -9.00 -34.92 -39.31 -29.73 . . 0 "[ . 1 . 2]" 129 . 1 69 ILE C 1 70 SER N 1 70 SER CA 1 70 SER C -130.00 -50.00 -83.06 -84.72 -80.71 . . 0 "[ . 1 . 2]" 130 . 1 70 SER C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -110.00 -50.00 -76.26 -78.10 -74.32 . . 0 "[ . 1 . 2]" 131 . 1 71 ARG C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -160.00 -80.00 -145.98 -145.03 -145.60 . . 0 "[ . 1 . 2]" 132 . 1 72 ARG C 1 73 PRO N 1 73 PRO CA 1 73 PRO C -91.00 -31.00 -61.35 -67.28 -56.42 . . 0 "[ . 1 . 2]" 133 . 1 73 PRO N 1 73 PRO CA 1 73 PRO C 1 74 ASP N -57.00 3.00 -12.49 -20.93 -1.31 . . 0 "[ . 1 . 2]" 134 . 1 73 PRO C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -96.00 -36.00 -68.36 -69.17 -70.20 . . 0 "[ . 1 . 2]" 135 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 LEU N -69.00 -9.00 -44.50 -46.52 -39.97 . . 0 "[ . 1 . 2]" 136 . 1 74 ASP C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -97.00 -37.00 -68.11 -67.68 -67.88 . . 0 "[ . 1 . 2]" 137 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 LEU N -69.00 -9.00 -44.59 -44.67 -45.25 . . 0 "[ . 1 . 2]" 138 . 1 75 LEU C 1 76 LEU N 1 76 LEU CA 1 76 LEU C -80.00 -20.00 -50.79 -50.63 -50.81 . . 0 "[ . 1 . 2]" 139 . 1 76 LEU N 1 76 LEU CA 1 76 LEU C 1 77 THR N -70.00 -10.00 -50.85 -51.96 -52.66 . . 0 "[ . 1 . 2]" 140 . 1 76 LEU C 1 77 THR N 1 77 THR CA 1 77 THR C -85.00 -25.00 -52.23 -51.91 -52.07 . . 0 "[ . 1 . 2]" 141 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 MET N -73.00 -13.00 -43.45 -43.39 -43.53 . . 0 "[ . 1 . 2]" 142 . 1 77 THR C 1 78 MET N 1 78 MET CA 1 78 MET C -91.00 -31.00 -62.30 -63.48 -61.30 . . 0 "[ . 1 . 2]" 143 . 1 78 MET N 1 78 MET CA 1 78 MET C 1 79 VAL N -74.00 -14.00 -37.47 -37.73 -38.14 . . 0 "[ . 1 . 2]" 144 . 1 78 MET C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -96.00 -36.00 -69.94 -69.09 -69.63 . . 0 "[ . 1 . 2]" 145 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 VAL N -74.00 -14.00 -47.89 -47.95 -48.09 . . 0 "[ . 1 . 2]" 146 . 1 79 VAL C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -95.00 -35.00 -58.92 -59.82 -57.86 . . 0 "[ . 1 . 2]" 147 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 ASP N -75.00 -15.00 -49.77 -50.51 -51.30 . . 0 "[ . 1 . 2]" 148 . 1 80 VAL C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -94.00 -34.00 -59.94 -59.94 -60.51 . . 0 "[ . 1 . 2]" 149 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 TYR N -71.00 -11.00 -42.19 -48.32 -37.76 . . 0 "[ . 1 . 2]" 150 . 1 81 ASP C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -95.00 -35.00 -58.31 -58.47 -58.60 . . 0 "[ . 1 . 2]" 151 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 ARG N -71.00 -11.00 -48.90 -50.78 -46.42 . . 0 "[ . 1 . 2]" 152 . 1 82 TYR C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -93.00 -33.00 -55.38 -54.20 -54.64 . . 0 "[ . 1 . 2]" 153 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 THR N -72.00 -12.00 -46.31 -48.49 -43.33 . . 0 "[ . 1 . 2]" 154 . 1 83 ARG C 1 84 THR N 1 84 THR CA 1 84 THR C -94.00 -34.00 -69.60 -70.85 -67.36 . . 0 "[ . 1 . 2]" 155 . 1 84 THR N 1 84 THR CA 1 84 THR C 1 85 ARG N -73.00 -13.00 -52.83 -52.34 -53.01 . . 0 "[ . 1 . 2]" 156 . 1 84 THR C 1 85 ARG N 1 85 ARG CA 1 85 ARG C -92.00 -32.00 -63.78 -64.91 -62.54 . . 0 "[ . 1 . 2]" 157 . 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 VAL N -69.00 -9.00 -40.18 -44.38 -37.53 . . 0 "[ . 1 . 2]" 158 . 1 85 ARG C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -110.00 -50.00 -72.54 -72.40 -72.67 . . 0 "[ . 1 . 2]" 159 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 LEU N -71.00 -11.00 -30.57 -33.08 -27.99 . . 0 "[ . 1 . 2]" 160 . 1 86 VAL C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -94.00 -34.00 -64.21 -65.57 -62.96 . . 0 "[ . 1 . 2]" 161 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LYS N -64.00 -4.00 -43.50 -44.47 -44.94 . . 0 "[ . 1 . 2]" 162 . 1 87 LEU C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -110.00 -50.00 -72.18 -74.12 -70.23 . . 0 "[ . 1 . 2]" 163 . 1 88 LYS C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -115.00 -55.00 -77.62 -78.03 -78.23 . . 0 "[ . 1 . 2]" 164 . 1 89 ILE C 1 90 SER N 1 90 SER CA 1 90 SER C -120.00 -60.00 -84.80 -83.74 -84.25 . . 0 "[ . 1 . 2]" 165 . 1 3 GLU N 1 3 GLU CA 1 3 GLU CB 1 3 GLU CG -90.00 -30.00 -60.59 -77.21 -47.71 . . 0 "[ . 1 . 2]" 166 . 1 4 TYR N 1 4 TYR CA 1 4 TYR CB 1 4 TYR CG 150.00 -150.00 -167.68 -166.29 -167.36 . . 0 "[ . 1 . 2]" 167 . 1 6 THR N 1 6 THR CA 1 6 THR CB 1 6 THR OG1 -90.00 -30.00 -53.74 -53.43 -53.93 . . 0 "[ . 1 . 2]" 168 . 1 7 LEU N 1 7 LEU CA 1 7 LEU CB 1 7 LEU CG 150.00 -150.00 171.90 174.17 173.56 . . 0 "[ . 1 . 2]" 169 . 1 8 LEU N 1 8 LEU CA 1 8 LEU CB 1 8 LEU CG -90.00 -30.00 -73.96 -73.03 -73.27 . . 0 "[ . 1 . 2]" 170 . 1 9 GLN N 1 9 GLN CA 1 9 GLN CB 1 9 GLN CG 150.00 -150.00 165.49 162.24 161.04 . . 0 "[ . 1 . 2]" 171 . 1 10 ASP N 1 10 ASP CA 1 10 ASP CB 1 10 ASP CG -90.00 -30.00 -71.98 -79.44 -66.81 . . 0 "[ . 1 . 2]" 172 . 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 30.00 90.00 67.74 65.09 71.02 . . 0 "[ . 1 . 2]" 173 . 1 12 THR N 1 12 THR CA 1 12 THR CB 1 12 THR OG1 -90.00 -30.00 -67.37 -69.80 -63.34 . . 0 "[ . 1 . 2]" 174 . 1 13 ASN N 1 13 ASN CA 1 13 ASN CB 1 13 ASN CG -90.00 -30.00 -64.89 -64.69 -65.36 . . 0 "[ . 1 . 2]" 175 . 1 14 ASN N 1 14 ASN CA 1 14 ASN CB 1 14 ASN CG -90.00 -30.00 -65.31 -68.09 -62.98 . . 0 "[ . 1 . 2]" 176 . 1 16 THR N 1 16 THR CA 1 16 THR CB 1 16 THR OG1 30.00 90.00 64.10 66.23 64.96 . . 0 "[ . 1 . 2]" 177 . 1 18 GLU N 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG -90.00 -30.00 -60.17 -64.00 -65.91 . . 0 "[ . 1 . 2]" 178 . 1 19 ASP N 1 19 ASP CA 1 19 ASP CB 1 19 ASP CG -90.00 -30.00 -69.55 -67.29 -68.23 . . 0 "[ . 1 . 2]" 179 . 1 21 GLU N 1 21 GLU CA 1 21 GLU CB 1 21 GLU CG -90.00 -30.00 -64.99 -66.60 -69.78 . . 0 "[ . 1 . 2]" 180 . 1 23 LEU N 1 23 LEU CA 1 23 LEU CB 1 23 LEU CG -90.00 -30.00 -60.50 -63.18 -56.81 . . 0 "[ . 1 . 2]" 181 . 1 24 LYS N 1 24 LYS CA 1 24 LYS CB 1 24 LYS CG -90.00 -30.00 -60.35 -57.48 -58.08 . . 0 "[ . 1 . 2]" 182 . 1 25 SER N 1 25 SER CA 1 25 SER CB 1 25 SER OG -90.00 -30.00 -62.34 -62.07 -62.49 . . 0 "[ . 1 . 2]" 183 . 1 27 CYS N 1 27 CYS CA 1 27 CYS CB 1 27 CYS SG -90.00 -30.00 -56.78 -55.85 -56.15 . . 0 "[ . 1 . 2]" 184 . 1 29 GLU N 1 29 GLU CA 1 29 GLU CB 1 29 GLU CG -90.00 -30.00 -58.98 -56.96 -57.63 . . 0 "[ . 1 . 2]" 185 . 1 30 ASP N 1 30 ASP CA 1 30 ASP CB 1 30 ASP CG -90.00 -30.00 -70.72 -69.76 -69.82 . . 0 "[ . 1 . 2]" 186 . 1 31 ILE N 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 150.00 -150.00 -166.28 -165.64 -166.15 . . 0 "[ . 1 . 2]" 187 . 1 33 SER N 1 33 SER CA 1 33 SER CB 1 33 SER OG 150.00 -150.00 -177.51 -178.26 -178.68 . . 0 "[ . 1 . 2]" 188 . 1 34 GLU N 1 34 GLU CA 1 34 GLU CB 1 34 GLU CG 150.00 -150.00 179.52 171.64 -173.06 . . 0 "[ . 1 . 2]" 189 . 1 35 LYS N 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG -90.00 -30.00 -67.37 -77.84 -58.20 . . 0 "[ . 1 . 2]" 190 . 1 36 SER N 1 36 SER CA 1 36 SER CB 1 36 SER OG 150.00 -150.00 179.59 168.30 -176.86 . . 0 "[ . 1 . 2]" 191 . 1 37 GLU N 1 37 GLU CA 1 37 GLU CB 1 37 GLU CG -90.00 -30.00 -63.14 -61.64 -61.87 . . 0 "[ . 1 . 2]" 192 . 1 38 GLU N 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 30.00 90.00 62.26 60.80 60.10 . . 0 "[ . 1 . 2]" 193 . 1 39 ILE N 1 39 ILE CA 1 39 ILE CB 1 39 ILE CG1 -90.00 -30.00 -61.31 -64.97 -56.86 . . 0 "[ . 1 . 2]" 194 . 1 40 THR N 1 40 THR CA 1 40 THR CB 1 40 THR CG2 30.00 90.00 50.68 44.14 56.13 . . 0 "[ . 1 . 2]" 195 . 1 41 THR N 1 41 THR CA 1 41 THR CB 1 41 THR CG2 30.00 90.00 53.33 53.89 52.80 . . 0 "[ . 1 . 2]" 196 . 1 43 SER N 1 43 SER CA 1 43 SER CB 1 43 SER OG -90.00 -30.00 -55.67 -59.96 -52.24 . . 0 "[ . 1 . 2]" 197 . 1 45 TRP N 1 45 TRP CA 1 45 TRP CB 1 45 TRP CG 150.00 -150.00 -179.33 179.13 -177.97 . . 0 "[ . 1 . 2]" 198 . 1 46 PHE N 1 46 PHE CA 1 46 PHE CB 1 46 PHE CG -90.00 -30.00 -63.25 -63.22 -63.87 . . 0 "[ . 1 . 2]" 199 . 1 47 SER N 1 47 SER CA 1 47 SER CB 1 47 SER OG -90.00 -30.00 -61.11 -61.37 -61.99 . . 0 "[ . 1 . 2]" 200 . 1 48 PHE N 1 48 PHE CA 1 48 PHE CB 1 48 PHE CG 150.00 -150.00 169.85 174.30 172.56 . . 0 "[ . 1 . 2]" 201 . 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG -90.00 -30.00 -65.23 -85.82 -60.40 . . 0 "[ . 1 . 2]" 202 . 1 51 SER N 1 51 SER CA 1 51 SER CB 1 51 SER OG -90.00 -30.00 -62.25 -64.51 -59.63 . . 0 "[ . 1 . 2]" 203 . 1 52 HIS N 1 52 HIS CA 1 52 HIS CB 1 52 HIS CG -90.00 -30.00 -59.04 -59.13 -60.08 . . 0 "[ . 1 . 2]" 204 . 1 54 LYS N 1 54 LYS CA 1 54 LYS CB 1 54 LYS CG -90.00 -30.00 -57.55 -67.34 -50.82 . . 0 "[ . 1 . 2]" 205 . 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 150.00 -150.00 178.35 174.07 -176.10 . . 0 "[ . 1 . 2]" 206 . 1 56 ASP N 1 56 ASP CA 1 56 ASP CB 1 56 ASP CG -90.00 -30.00 -70.65 -89.99 -61.16 . . 0 "[ . 1 . 2]" 207 . 1 57 LYS N 1 57 LYS CA 1 57 LYS CB 1 57 LYS CG 30.00 90.00 62.36 82.20 72.55 . . 0 "[ . 1 . 2]" 208 . 1 60 LEU N 1 60 LEU CA 1 60 LEU CB 1 60 LEU CG 30.00 90.00 57.34 49.65 66.48 . . 0 "[ . 1 . 2]" 209 . 1 62 TYR N 1 62 TYR CA 1 62 TYR CB 1 62 TYR CG 150.00 -150.00 172.35 160.96 -179.17 . . 0 "[ . 1 . 2]" 210 . 1 63 ILE N 1 63 ILE CA 1 63 ILE CB 1 63 ILE CG1 30.00 90.00 75.76 74.40 73.94 . . 0 "[ . 1 . 2]" 211 . 1 65 HIS N 1 65 HIS CA 1 65 HIS CB 1 65 HIS CG 150.00 -150.00 175.51 177.20 176.85 . . 0 "[ . 1 . 2]" 212 . 1 66 ILE N 1 66 ILE CA 1 66 ILE CB 1 66 ILE CG1 -90.00 -30.00 -57.89 -56.67 -56.96 . . 0 "[ . 1 . 2]" 213 . 1 67 PHE N 1 67 PHE CA 1 67 PHE CB 1 67 PHE CG -90.00 -30.00 -53.85 -55.70 -52.35 . . 0 "[ . 1 . 2]" 214 . 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 150.00 -150.00 177.58 179.31 176.84 . . 0 "[ . 1 . 2]" 215 . 1 69 ILE N 1 69 ILE CA 1 69 ILE CB 1 69 ILE CG1 30.00 90.00 59.57 56.24 62.27 . . 0 "[ . 1 . 2]" 216 . 1 71 ARG N 1 71 ARG CA 1 71 ARG CB 1 71 ARG CG -90.00 -30.00 -63.59 -74.35 -52.25 . . 0 "[ . 1 . 2]" 217 . 1 74 ASP N 1 74 ASP CA 1 74 ASP CB 1 74 ASP CG -90.00 -30.00 -56.21 -53.68 -54.54 . . 0 "[ . 1 . 2]" 218 . 1 75 LEU N 1 75 LEU CA 1 75 LEU CB 1 75 LEU CG -90.00 -30.00 -68.65 -71.75 -63.94 . . 0 "[ . 1 . 2]" 219 . 1 76 LEU N 1 76 LEU CA 1 76 LEU CB 1 76 LEU CG 150.00 -150.00 -176.99 -179.28 -174.12 . . 0 "[ . 1 . 2]" 220 . 1 77 THR N 1 77 THR CA 1 77 THR CB 1 77 THR OG1 -90.00 -30.00 -65.92 -68.87 -62.38 . . 0 "[ . 1 . 2]" 221 . 1 78 MET N 1 78 MET CA 1 78 MET CB 1 78 MET CG -90.00 -30.00 -63.30 -64.97 -65.31 . . 0 "[ . 1 . 2]" 222 . 1 79 VAL N 1 79 VAL CA 1 79 VAL CB 1 79 VAL CG1 150.00 -150.00 -176.90 -175.96 -176.36 . . 0 "[ . 1 . 2]" 223 . 1 80 VAL N 1 80 VAL CA 1 80 VAL CB 1 80 VAL CG1 150.00 -150.00 174.89 174.92 174.59 . . 0 "[ . 1 . 2]" 224 . 1 82 TYR N 1 82 TYR CA 1 82 TYR CB 1 82 TYR CG 150.00 -150.00 169.12 168.07 167.08 . . 0 "[ . 1 . 2]" 225 . 1 83 ARG N 1 83 ARG CA 1 83 ARG CB 1 83 ARG CG 150.00 -150.00 162.92 162.08 159.42 . . 0 "[ . 1 . 2]" 226 . 1 84 THR N 1 84 THR CA 1 84 THR CB 1 84 THR OG1 -90.00 -30.00 -57.54 -59.14 -59.95 . . 0 "[ . 1 . 2]" 227 . 1 85 ARG N 1 85 ARG CA 1 85 ARG CB 1 85 ARG CG 30.00 90.00 63.33 53.35 72.66 . . 0 "[ . 1 . 2]" 228 . 1 86 VAL N 1 86 VAL CA 1 86 VAL CB 1 86 VAL CG1 150.00 -150.00 175.67 173.76 177.55 . . 0 "[ . 1 . 2]" 229 . 1 89 ILE N 1 89 ILE CA 1 89 ILE CB 1 89 ILE CG1 -90.00 -30.00 -69.25 -71.13 -71.76 . . 0 "[ . 1 . 2]" 230 . 1 90 SER N 1 90 SER CA 1 90 SER CB 1 90 SER OG -90.00 -30.00 -57.20 -55.36 -56.19 . . 0 "[ . 1 . 2]" stop_ save_
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