NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
483931 | 2ezl | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ezl save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 154 _TA_constraint_stats_list.Viol_count 97 _TA_constraint_stats_list.Viol_total 2515.04 _TA_constraint_stats_list.Viol_max 3.55 _TA_constraint_stats_list.Viol_rms 0.17 _TA_constraint_stats_list.Viol_average_all_restraints 0.02 _TA_constraint_stats_list.Viol_average_violations_only 0.89 _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 2 ILE C 1 3 ALA N 1 3 ALA CA 1 3 ALA C -175.00 -5.00 -118.61 -79.92 -127.86 . . 0 "[ . 1 . 2 . ]" 2 . 1 3 ALA C 1 4 ARG N 1 4 ARG CA 1 4 ARG C -175.00 -5.00 -77.05 -70.10 -139.96 . . 0 "[ . 1 . 2 . ]" 3 . 1 5 PRO C 1 6 THR N 1 6 THR CA 1 6 THR C -175.00 -5.00 -81.42 -170.00 -59.49 . . 0 "[ . 1 . 2 . ]" 4 . 1 6 THR C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -175.00 -5.00 -118.83 -162.05 -73.20 . . 0 "[ . 1 . 2 . ]" 5 . 1 7 LEU C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -175.00 -5.00 -139.31 -176.00 -58.18 1.00 23 0 "[ . 1 . 2 . ]" 6 . 1 8 GLU C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -175.00 -5.00 -81.33 -175.89 -45.15 0.89 13 0 "[ . 1 . 2 . ]" 7 . 1 9 ALA C 1 10 HIS N 1 10 HIS CA 1 10 HIS C -175.00 -5.00 -124.56 -177.50 -40.80 2.50 29 0 "[ . 1 . 2 . ]" 8 . 1 10 HIS C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -175.00 -5.00 -86.73 -148.20 -58.57 . . 0 "[ . 1 . 2 . ]" 9 . 1 11 ASP C 1 12 TYR N 1 12 TYR CA 1 12 TYR C -175.00 -5.00 -119.09 -108.17 -111.83 . . 0 "[ . 1 . 2 . ]" 10 . 1 12 TYR C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -175.00 -5.00 -85.66 -172.23 -57.97 . . 0 "[ . 1 . 2 . ]" 11 . 1 13 ASP C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -175.00 -5.00 -81.80 -79.28 -86.23 . . 0 "[ . 1 . 2 . ]" 12 . 1 14 ARG C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -85.00 -45.00 -61.21 -81.48 -55.57 . . 0 "[ . 1 . 2 . ]" 13 . 1 15 GLU C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -80.00 -40.00 -61.46 -60.49 -60.61 . . 0 "[ . 1 . 2 . ]" 14 . 1 16 ALA C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -85.00 -45.00 -64.45 -84.56 -52.23 . . 0 "[ . 1 . 2 . ]" 15 . 1 17 LEU C 1 18 TRP N 1 18 TRP CA 1 18 TRP C -85.00 -45.00 -68.06 -68.75 -69.17 . . 0 "[ . 1 . 2 . ]" 16 . 1 18 TRP C 1 19 SER N 1 19 SER CA 1 19 SER C -78.00 -38.00 -59.89 -60.49 -58.40 . . 0 "[ . 1 . 2 . ]" 17 . 1 19 SER C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -82.00 -42.00 -61.56 -61.60 -62.55 . . 0 "[ . 1 . 2 . ]" 18 . 1 20 LYS C 1 21 TRP N 1 21 TRP CA 1 21 TRP C -80.00 -40.00 -60.93 -60.13 -60.17 . . 0 "[ . 1 . 2 . ]" 19 . 1 21 TRP C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -77.00 -37.00 -58.45 -60.08 -53.69 . . 0 "[ . 1 . 2 . ]" 20 . 1 22 ASP C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -110.00 -70.00 -84.71 -83.81 -85.50 . . 0 "[ . 1 . 2 . ]" 21 . 1 23 ASN C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -90.00 -50.00 -68.52 -69.20 -69.59 . . 0 "[ . 1 . 2 . ]" 22 . 1 24 ALA C 1 25 SER N 1 25 SER CA 1 25 SER C -95.00 -55.00 -72.26 -75.88 -69.73 . . 0 "[ . 1 . 2 . ]" 23 . 1 25 SER C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -80.00 -40.00 -59.99 -60.97 -58.56 . . 0 "[ . 1 . 2 . ]" 24 . 1 26 ASP C 1 27 SER N 1 27 SER CA 1 27 SER C -80.00 -40.00 -59.88 -60.17 -60.39 . . 0 "[ . 1 . 2 . ]" 25 . 1 27 SER C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -85.00 -45.00 -63.74 -67.17 -60.15 . . 0 "[ . 1 . 2 . ]" 26 . 1 28 GLN C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -85.00 -45.00 -66.26 -70.06 -59.91 . . 0 "[ . 1 . 2 . ]" 27 . 1 29 ARG C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -85.00 -45.00 -62.92 -69.53 -59.97 . . 0 "[ . 1 . 2 . ]" 28 . 1 30 ARG C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -80.00 -40.00 -60.56 -60.19 -60.21 . . 0 "[ . 1 . 2 . ]" 29 . 1 31 LEU C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -80.00 -40.00 -60.70 -62.98 -59.77 . . 0 "[ . 1 . 2 . ]" 30 . 1 32 ALA C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -80.00 -40.00 -60.92 -63.62 -59.89 . . 0 "[ . 1 . 2 . ]" 31 . 1 33 GLU C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -85.00 -45.00 -65.04 -68.37 -61.23 . . 0 "[ . 1 . 2 . ]" 32 . 1 34 LYS C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -100.00 -60.00 -83.77 -87.27 -88.54 . . 0 "[ . 1 . 2 . ]" 33 . 1 35 TRP C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -90.00 -50.00 -74.25 -77.92 -70.01 . . 0 "[ . 1 . 2 . ]" 34 . 1 36 LEU C 1 37 PRO N 1 37 PRO CA 1 37 PRO C -90.00 -30.00 -66.05 -67.78 -68.60 . . 0 "[ . 1 . 2 . ]" 35 . 1 37 PRO C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -95.00 -55.00 -76.22 -74.12 -74.98 . . 0 "[ . 1 . 2 . ]" 36 . 1 38 ALA C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -87.00 -47.00 -69.21 -70.78 -65.57 . . 0 "[ . 1 . 2 . ]" 37 . 1 39 VAL C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -85.00 -45.00 -65.52 -63.35 -64.26 . . 0 "[ . 1 . 2 . ]" 38 . 1 40 GLN C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -82.00 -42.00 -65.12 -70.69 -59.92 . . 0 "[ . 1 . 2 . ]" 39 . 1 41 ALA C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -78.00 -38.00 -60.40 -60.58 -60.67 . . 0 "[ . 1 . 2 . ]" 40 . 1 42 ALA C 1 43 ASP N 1 43 ASP CA 1 43 ASP C -80.00 -40.00 -59.46 -60.35 -57.56 . . 0 "[ . 1 . 2 . ]" 41 . 1 43 ASP C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -82.00 -42.00 -61.79 -66.74 -60.05 . . 0 "[ . 1 . 2 . ]" 42 . 1 44 GLU C 1 45 MET N 1 45 MET CA 1 45 MET C -85.00 -45.00 -66.39 -72.76 -60.69 . . 0 "[ . 1 . 2 . ]" 43 . 1 45 MET C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -85.00 -45.00 -64.33 -62.89 -63.17 . . 0 "[ . 1 . 2 . ]" 44 . 1 46 LEU C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -85.00 -45.00 -63.07 -61.74 -63.68 . . 0 "[ . 1 . 2 . ]" 45 . 1 47 ASN C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -98.00 -58.00 -74.86 -74.25 -76.77 . . 0 "[ . 1 . 2 . ]" 46 . 1 49 GLY C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -97.00 -57.00 -78.27 -82.32 -74.15 . . 0 "[ . 1 . 2 . ]" 47 . 1 50 ILE C 1 51 SER N 1 51 SER CA 1 51 SER C -70.00 -30.00 -54.24 -54.48 -55.30 . . 0 "[ . 1 . 2 . ]" 48 . 1 51 SER C 1 52 THR N 1 52 THR CA 1 52 THR C -75.00 -35.00 -57.95 -54.11 -56.00 . . 0 "[ . 1 . 2 . ]" 49 . 1 52 THR C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -77.00 -37.00 -59.46 -60.14 -56.29 . . 0 "[ . 1 . 2 . ]" 50 . 1 53 LYS C 1 54 THR N 1 54 THR CA 1 54 THR C -88.00 -48.00 -68.35 -66.87 -67.27 . . 0 "[ . 1 . 2 . ]" 51 . 1 54 THR C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -80.00 -40.00 -60.49 -60.00 -60.03 . . 0 "[ . 1 . 2 . ]" 52 . 1 55 ALA C 1 56 PHE N 1 56 PHE CA 1 56 PHE C -85.00 -45.00 -68.23 -67.90 -68.15 . . 0 "[ . 1 . 2 . ]" 53 . 1 56 PHE C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -80.00 -40.00 -60.68 -62.86 -63.92 . . 0 "[ . 1 . 2 . ]" 54 . 1 57 ALA C 1 58 THR N 1 58 THR CA 1 58 THR C -80.00 -40.00 -61.94 -61.90 -62.27 . . 0 "[ . 1 . 2 . ]" 55 . 1 58 THR C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -88.00 -48.00 -65.10 -63.06 -63.35 . . 0 "[ . 1 . 2 . ]" 56 . 1 59 VAL C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -80.00 -40.00 -64.25 -68.66 -60.03 . . 0 "[ . 1 . 2 . ]" 57 . 1 61 GLY C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -95.00 -55.00 -72.35 -80.01 -66.16 . . 0 "[ . 1 . 2 . ]" 58 . 1 62 HIS C 1 63 TYR N 1 63 TYR CA 1 63 TYR C -120.00 -80.00 -99.30 -94.50 -95.77 . . 0 "[ . 1 . 2 . ]" 59 . 1 63 TYR C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -95.00 -55.00 -83.06 -84.51 -84.81 . . 0 "[ . 1 . 2 . ]" 60 . 1 64 GLN C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -150.00 -110.00 -130.21 -135.65 -123.66 . . 0 "[ . 1 . 2 . ]" 61 . 1 65 VAL C 1 66 SER N 1 66 SER CA 1 66 SER C -86.00 -46.00 -73.01 -78.81 -68.38 . . 0 "[ . 1 . 2 . ]" 62 . 1 66 SER C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -80.00 -40.00 -60.14 -60.09 -60.13 . . 0 "[ . 1 . 2 . ]" 63 . 1 67 ALA C 1 68 SER N 1 68 SER CA 1 68 SER C -82.00 -42.00 -63.66 -67.65 -60.61 . . 0 "[ . 1 . 2 . ]" 64 . 1 68 SER C 1 69 THR N 1 69 THR CA 1 69 THR C -85.00 -45.00 -64.29 -67.69 -61.04 . . 0 "[ . 1 . 2 . ]" 65 . 1 69 THR C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -80.00 -40.00 -60.25 -60.50 -60.55 . . 0 "[ . 1 . 2 . ]" 66 . 1 70 LEU C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -80.00 -40.00 -59.89 -60.13 -60.19 . . 0 "[ . 1 . 2 . ]" 67 . 1 71 ARG C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -80.00 -40.00 -60.90 -64.25 -59.97 . . 0 "[ . 1 . 2 . ]" 68 . 1 72 ASP C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -85.00 -45.00 -67.83 -63.56 -65.45 . . 0 "[ . 1 . 2 . ]" 69 . 1 73 LYS C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -80.00 -40.00 -59.52 -59.16 -59.70 . . 0 "[ . 1 . 2 . ]" 70 . 1 74 TYR C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -88.00 -48.00 -67.41 -62.74 -64.26 . . 0 "[ . 1 . 2 . ]" 71 . 1 75 TYR C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -80.00 -40.00 -60.20 -61.66 -59.45 . . 0 "[ . 1 . 2 . ]" 72 . 1 76 GLN C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -100.00 -60.00 -80.57 -85.67 -77.20 . . 0 "[ . 1 . 2 . ]" 73 . 1 77 VAL C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -70.00 -30.00 -59.17 -59.74 -59.80 . . 0 "[ . 1 . 2 . ]" 74 . 1 78 GLN C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -90.00 -50.00 -76.62 -80.14 -72.22 . . 0 "[ . 1 . 2 . ]" 75 . 1 79 LYS C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -140.00 -80.00 -108.17 -119.05 -102.46 . . 0 "[ . 1 . 2 . ]" 76 . 1 80 PHE C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -80.00 -40.00 -60.66 -70.92 -52.19 . . 0 "[ . 1 . 2 . ]" 77 . 1 81 ALA C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -90.00 -30.00 -54.05 -60.96 -66.35 . . 0 "[ . 1 . 2 . ]" 78 . 1 82 LYS C 1 83 PRO N 1 83 PRO CA 1 83 PRO C -100.00 -20.00 -58.74 -69.02 -80.13 . . 0 "[ . 1 . 2 . ]" 79 . 1 83 PRO C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -88.00 -48.00 -86.30 -89.98 -79.44 1.98 13 0 "[ . 1 . 2 . ]" 80 . 1 84 ASP C 1 85 TRP N 1 85 TRP CA 1 85 TRP C -60.00 -20.00 -58.17 -60.13 -52.94 0.13 10 0 "[ . 1 . 2 . ]" 81 . 1 85 TRP C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -75.00 -35.00 -57.86 -60.86 -51.47 . . 0 "[ . 1 . 2 . ]" 82 . 1 86 ALA C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -95.00 -55.00 -74.99 -70.09 -71.97 . . 0 "[ . 1 . 2 . ]" 83 . 1 87 ALA C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -87.00 -47.00 -62.98 -61.37 -61.80 . . 0 "[ . 1 . 2 . ]" 84 . 1 88 ALA C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -94.00 -54.00 -70.05 -71.04 -72.01 . . 0 "[ . 1 . 2 . ]" 85 . 1 89 LEU C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -90.00 -50.00 -69.57 -71.51 -72.56 . . 0 "[ . 1 . 2 . ]" 86 . 1 90 VAL C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -110.00 -50.00 -87.79 -105.35 -79.99 . . 0 "[ . 1 . 2 . ]" 87 . 1 91 ASP C 1 92 GLY N 1 92 GLY CA 1 92 GLY C -175.00 -5.00 -110.20 -178.35 -54.45 3.35 15 0 "[ . 1 . 2 . ]" 88 . 1 92 GLY C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -100.00 -60.00 -83.40 -90.21 -71.36 . . 0 "[ . 1 . 2 . ]" 89 . 1 93 ARG C 1 94 GLY N 1 94 GLY CA 1 94 GLY C -175.00 -5.00 -125.10 -178.55 -42.71 3.55 21 0 "[ . 1 . 2 . ]" 90 . 1 94 GLY C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -100.00 -60.00 -78.87 -75.57 -76.90 . . 0 "[ . 1 . 2 . ]" 91 . 1 95 ALA C 1 96 SER N 1 96 SER CA 1 96 SER C -175.00 -5.00 -99.56 -159.90 -51.66 . . 0 "[ . 1 . 2 . ]" 92 . 1 96 SER C 1 97 ARG N 1 97 ARG CA 1 97 ARG C -175.00 -5.00 -95.53 -64.78 -66.13 . . 0 "[ . 1 . 2 . ]" 93 . 1 97 ARG C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -175.00 -5.00 -102.61 -90.99 -93.26 . . 0 "[ . 1 . 2 . ]" 94 . 1 98 ARG C 1 99 ASN N 1 99 ASN CA 1 99 ASN C -175.00 -5.00 -117.44 -146.50 -147.19 . . 0 "[ . 1 . 2 . ]" 95 . 1 6 THR N 1 6 THR CA 1 6 THR CB 1 6 THR OG1 -80.00 -40.00 -57.62 -72.24 -39.41 0.59 11 0 "[ . 1 . 2 . ]" 96 . 1 50 ILE N 1 50 ILE CA 1 50 ILE CB 1 50 ILE CG1 -80.00 -40.00 -66.55 -79.42 -52.49 . . 0 "[ . 1 . 2 . ]" 97 . 1 52 THR N 1 52 THR CA 1 52 THR CB 1 52 THR OG1 40.00 80.00 39.95 38.60 38.11 2.68 14 0 "[ . 1 . 2 . ]" 98 . 1 54 THR N 1 54 THR CA 1 54 THR CB 1 54 THR OG1 -80.00 -40.00 -59.94 -58.15 -58.80 . . 0 "[ . 1 . 2 . ]" 99 . 1 58 THR N 1 58 THR CA 1 58 THR CB 1 58 THR OG1 -80.00 -40.00 -60.15 -60.81 -60.96 . . 0 "[ . 1 . 2 . ]" 100 . 1 69 THR N 1 69 THR CA 1 69 THR CB 1 69 THR OG1 -80.00 -40.00 -63.84 -69.54 -59.82 . . 0 "[ . 1 . 2 . ]" 101 . 1 59 VAL N 1 59 VAL CA 1 59 VAL CB 1 59 VAL CG1 160.00 -160.00 171.02 168.69 177.59 . . 0 "[ . 1 . 2 . ]" 102 . 1 77 VAL N 1 77 VAL CA 1 77 VAL CB 1 77 VAL CG1 -80.00 -40.00 -62.14 -60.46 -61.19 . . 0 "[ . 1 . 2 . ]" 103 . 1 17 LEU N 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG 160.00 -160.00 -174.00 -177.97 -178.84 1.35 11 0 "[ . 1 . 2 . ]" 104 . 1 18 TRP N 1 18 TRP CA 1 18 TRP CB 1 18 TRP CG -80.00 -40.00 -76.45 -75.57 -76.31 1.14 18 0 "[ . 1 . 2 . ]" 105 . 1 21 TRP N 1 21 TRP CA 1 21 TRP CB 1 21 TRP CG 160.00 -160.00 160.90 158.98 164.19 1.02 2 0 "[ . 1 . 2 . ]" 106 . 1 22 ASP N 1 22 ASP CA 1 22 ASP CB 1 22 ASP CG 160.00 -160.00 -177.59 179.21 -172.26 . . 0 "[ . 1 . 2 . ]" 107 . 1 23 ASN N 1 23 ASN CA 1 23 ASN CB 1 23 ASN CG -80.00 -40.00 -65.65 -73.01 -50.13 . . 0 "[ . 1 . 2 . ]" 108 . 1 28 GLN N 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG -80.00 -40.00 -70.25 -79.21 -66.38 . . 0 "[ . 1 . 2 . ]" 109 . 1 29 ARG N 1 29 ARG CA 1 29 ARG CB 1 29 ARG CG -80.00 -40.00 -67.77 -71.37 -53.53 . . 0 "[ . 1 . 2 . ]" 110 . 1 31 LEU N 1 31 LEU CA 1 31 LEU CB 1 31 LEU CG 160.00 -160.00 -179.33 178.54 -175.02 . . 0 "[ . 1 . 2 . ]" 111 . 1 33 GLU N 1 33 GLU CA 1 33 GLU CB 1 33 GLU CG 160.00 -160.00 -175.81 179.11 -161.17 . . 0 "[ . 1 . 2 . ]" 112 . 1 34 LYS N 1 34 LYS CA 1 34 LYS CB 1 34 LYS CG 160.00 -160.00 -175.02 172.79 -168.26 . . 0 "[ . 1 . 2 . ]" 113 . 1 35 TRP N 1 35 TRP CA 1 35 TRP CB 1 35 TRP CG -80.00 -40.00 -77.81 -81.88 -71.32 1.88 8 0 "[ . 1 . 2 . ]" 114 . 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 160.00 -160.00 -168.34 172.67 -158.12 1.88 17 0 "[ . 1 . 2 . ]" 115 . 1 43 ASP N 1 43 ASP CA 1 43 ASP CB 1 43 ASP CG 160.00 -160.00 -179.01 179.49 -173.28 . . 0 "[ . 1 . 2 . ]" 116 . 1 45 MET N 1 45 MET CA 1 45 MET CB 1 45 MET CG -80.00 -40.00 -67.01 -71.02 -60.54 . . 0 "[ . 1 . 2 . ]" 117 . 1 46 LEU N 1 46 LEU CA 1 46 LEU CB 1 46 LEU CG -80.00 -40.00 -67.41 -70.73 -61.50 . . 0 "[ . 1 . 2 . ]" 118 . 1 48 GLN N 1 48 GLN CA 1 48 GLN CB 1 48 GLN CG 160.00 -160.00 -172.67 -171.37 -172.92 . . 0 "[ . 1 . 2 . ]" 119 . 1 56 PHE N 1 56 PHE CA 1 56 PHE CB 1 56 PHE CG -80.00 -40.00 -70.81 -71.65 -72.08 . . 0 "[ . 1 . 2 . ]" 120 . 1 62 HIS N 1 62 HIS CA 1 62 HIS CB 1 62 HIS CG -80.00 -40.00 -63.86 -64.42 -66.52 . . 0 "[ . 1 . 2 . ]" 121 . 1 63 TYR N 1 63 TYR CA 1 63 TYR CB 1 63 TYR CG -80.00 -40.00 -67.40 -69.83 -69.94 . . 0 "[ . 1 . 2 . ]" 122 . 1 70 LEU N 1 70 LEU CA 1 70 LEU CB 1 70 LEU CG 160.00 -160.00 177.76 179.95 179.40 . . 0 "[ . 1 . 2 . ]" 123 . 1 71 ARG N 1 71 ARG CA 1 71 ARG CB 1 71 ARG CG 160.00 -160.00 -176.20 -172.67 -174.42 . . 0 "[ . 1 . 2 . ]" 124 . 1 73 LYS N 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG -90.00 -30.00 -71.61 -88.56 -61.16 . . 0 "[ . 1 . 2 . ]" 125 . 1 74 TYR N 1 74 TYR CA 1 74 TYR CB 1 74 TYR CG 160.00 -160.00 -168.75 -174.70 -162.96 . . 0 "[ . 1 . 2 . ]" 126 . 1 75 TYR N 1 75 TYR CA 1 75 TYR CB 1 75 TYR CG -80.00 -40.00 -74.33 -80.93 -68.13 0.93 20 0 "[ . 1 . 2 . ]" 127 . 1 76 GLN N 1 76 GLN CA 1 76 GLN CB 1 76 GLN CG 160.00 -160.00 -175.32 179.13 -165.28 . . 0 "[ . 1 . 2 . ]" 128 . 1 80 PHE N 1 80 PHE CA 1 80 PHE CB 1 80 PHE CG -80.00 -40.00 -71.86 -77.46 -68.17 . . 0 "[ . 1 . 2 . ]" 129 . 1 85 TRP N 1 85 TRP CA 1 85 TRP CB 1 85 TRP CG -80.00 -40.00 -78.72 -81.40 -71.09 1.40 22 0 "[ . 1 . 2 . ]" 130 . 1 89 LEU N 1 89 LEU CA 1 89 LEU CB 1 89 LEU CG -80.00 -40.00 -65.57 -71.38 -72.80 . . 0 "[ . 1 . 2 . ]" 131 . 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG 1 17 LEU CD1 30.00 90.00 74.29 60.11 90.46 0.46 12 0 "[ . 1 . 2 . ]" 132 . 1 31 LEU CA 1 31 LEU CB 1 31 LEU CG 1 31 LEU CD1 30.00 90.00 65.27 58.72 71.15 . . 0 "[ . 1 . 2 . ]" 133 . 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 30.00 90.00 73.89 54.98 87.02 . . 0 "[ . 1 . 2 . ]" 134 . 1 46 LEU CA 1 46 LEU CB 1 46 LEU CG 1 46 LEU CD1 150.00 -150.00 171.70 157.93 178.34 . . 0 "[ . 1 . 2 . ]" 135 . 1 70 LEU CA 1 70 LEU CB 1 70 LEU CG 1 70 LEU CD1 30.00 90.00 59.75 61.43 60.76 . . 0 "[ . 1 . 2 . ]" 136 . 1 71 ARG CA 1 71 ARG CB 1 71 ARG CG 1 71 ARG CD 30.00 -150.00 177.47 178.42 177.50 . . 0 "[ . 1 . 2 . ]" 137 . 1 89 LEU CA 1 89 LEU CB 1 89 LEU CG 1 89 LEU CD1 150.00 -150.00 169.84 174.68 172.74 . . 0 "[ . 1 . 2 . ]" 138 . 1 56 PHE CA 1 56 PHE CB 1 56 PHE CG 1 56 PHE CD1 60.00 120.00 116.62 113.43 119.24 . . 0 "[ . 1 . 2 . ]" 139 . 1 80 PHE CA 1 80 PHE CB 1 80 PHE CG 1 80 PHE CD1 70.00 110.00 87.60 70.04 108.22 . . 0 "[ . 1 . 2 . ]" 140 . 1 12 TYR CA 1 12 TYR CB 1 12 TYR CG 1 12 TYR CD1 60.00 120.00 100.89 84.43 117.81 . . 0 "[ . 1 . 2 . ]" 141 . 1 63 TYR CA 1 63 TYR CB 1 63 TYR CG 1 63 TYR CD1 60.00 120.00 87.02 78.92 90.98 . . 0 "[ . 1 . 2 . ]" 142 . 1 74 TYR CA 1 74 TYR CB 1 74 TYR CG 1 74 TYR CD1 60.00 120.00 93.58 94.56 92.55 . . 0 "[ . 1 . 2 . ]" 143 . 1 75 TYR CA 1 75 TYR CB 1 75 TYR CG 1 75 TYR CD1 60.00 120.00 102.57 89.93 115.21 . . 0 "[ . 1 . 2 . ]" 144 . 1 18 TRP CA 1 18 TRP CB 1 18 TRP CG 1 18 TRP CD1 70.00 110.00 103.86 86.02 112.81 2.81 3 0 "[ . 1 . 2 . ]" 145 . 1 21 TRP CA 1 21 TRP CB 1 21 TRP CG 1 21 TRP CD1 -120.00 -60.00 -78.40 -74.52 -75.70 . . 0 "[ . 1 . 2 . ]" 146 . 1 35 TRP CA 1 35 TRP CB 1 35 TRP CG 1 35 TRP CD1 60.00 120.00 90.08 93.02 91.07 . . 0 "[ . 1 . 2 . ]" 147 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 SER N 110.00 -170.00 144.72 139.85 157.24 . . 0 "[ . 1 . 2 . ]" 148 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 TYR N -85.00 -5.00 -42.38 -52.22 -39.98 . . 0 "[ . 1 . 2 . ]" 149 . 1 63 TYR N 1 63 TYR CA 1 63 TYR C 1 64 GLN N 100.00 180.00 135.75 138.78 138.21 . . 0 "[ . 1 . 2 . ]" 150 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 LYS N -70.00 10.00 -38.15 -38.66 -38.67 . . 0 "[ . 1 . 2 . ]" 151 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 PHE N -70.00 10.00 -8.19 -7.02 -8.07 . . 0 "[ . 1 . 2 . ]" 152 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 ALA N 90.00 170.00 146.34 137.54 156.24 . . 0 "[ . 1 . 2 . ]" 153 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 LYS N 100.00 180.00 146.02 139.13 154.14 . . 0 "[ . 1 . 2 . ]" 154 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 PRO N -90.00 -10.00 -47.47 -40.20 -40.70 . . 0 "[ . 1 . 2 . ]" stop_ save_
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