NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
439364 | 2k6b | 15864 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k6b save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 164 _TA_constraint_stats_list.Viol_count 342 _TA_constraint_stats_list.Viol_total 4112.11 _TA_constraint_stats_list.Viol_max 4.28 _TA_constraint_stats_list.Viol_rms 0.26 _TA_constraint_stats_list.Viol_average_all_restraints 0.06 _TA_constraint_stats_list.Viol_average_violations_only 0.60 _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 SER C 1 3 ALA N 1 3 ALA CA 1 3 ALA C -91.63 -38.83 -60.40 -59.29 -65.48 0.44 9 0 "[ . 1 . 2]" 2 . 1 3 ALA C 1 4 ASP N 1 4 ASP CA 1 4 ASP C -77.62 -50.22 -69.60 -68.79 -69.78 1.12 17 0 "[ . 1 . 2]" 3 . 1 4 ASP C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -78.69 -50.05 -66.24 -78.83 -55.87 0.14 3 0 "[ . 1 . 2]" 4 . 1 5 GLU C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -83.83 -48.35 -65.25 -59.77 -61.61 . . 0 "[ . 1 . 2]" 5 . 1 6 GLU C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -76.88 -45.52 -64.94 -64.63 -65.80 0.29 16 0 "[ . 1 . 2]" 6 . 1 7 LEU C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -78.30 -53.74 -64.46 -65.74 -65.86 0.14 3 0 "[ . 1 . 2]" 7 . 1 8 GLU C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -80.47 -47.03 -60.03 -67.99 -52.61 . . 0 "[ . 1 . 2]" 8 . 1 9 ALA C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -75.40 -50.28 -64.06 -75.62 -57.04 0.22 19 0 "[ . 1 . 2]" 9 . 1 10 LEU C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -81.15 -50.07 -63.20 -65.56 -68.41 . . 0 "[ . 1 . 2]" 10 . 1 11 ARG C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -79.69 -54.97 -64.74 -64.89 -65.14 1.01 10 0 "[ . 1 . 2]" 11 . 1 12 ARG C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -75.02 -57.38 -64.64 -74.67 -57.13 0.25 11 0 "[ . 1 . 2]" 12 . 1 13 GLN C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -82.49 -46.69 -62.59 -79.39 -55.87 . . 0 "[ . 1 . 2]" 13 . 1 14 ARG C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -71.88 -47.40 -65.21 -70.89 -72.05 0.80 10 0 "[ . 1 . 2]" 14 . 1 15 LEU C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -78.94 -47.38 -69.62 -68.44 -69.35 1.92 19 0 "[ . 1 . 2]" 15 . 1 16 ALA C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -82.18 -52.54 -69.14 -67.94 -69.58 1.57 10 0 "[ . 1 . 2]" 16 . 1 17 GLU C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -85.33 -44.01 -68.76 -82.82 -56.23 . . 0 "[ . 1 . 2]" 17 . 1 23 GLY C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -159.03 -64.35 -109.10 -99.20 -105.09 . . 0 "[ . 1 . 2]" 18 . 1 27 ASP C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -67.05 -52.73 -63.14 -66.67 -67.06 0.93 8 0 "[ . 1 . 2]" 19 . 1 28 ALA C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -82.15 -50.39 -67.19 -69.92 -71.46 0.19 10 0 "[ . 1 . 2]" 20 . 1 29 ALA C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -82.68 -47.84 -68.82 -71.45 -72.82 . . 0 "[ . 1 . 2]" 21 . 1 30 GLN C 1 31 GLN N 1 31 GLN CA 1 31 GLN C -77.08 -50.24 -66.46 -58.52 -60.15 0.02 19 0 "[ . 1 . 2]" 22 . 1 31 GLN C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -77.93 -52.25 -65.75 -73.22 -57.48 . . 0 "[ . 1 . 2]" 23 . 1 32 GLU C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -81.38 -50.62 -63.12 -81.55 -56.32 0.17 11 0 "[ . 1 . 2]" 24 . 1 33 ALA C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -76.93 -50.85 -66.55 -74.57 -59.38 . . 0 "[ . 1 . 2]" 25 . 1 34 LYS C 1 35 HIS N 1 35 HIS CA 1 35 HIS C -81.37 -49.77 -63.96 -63.26 -63.48 0.15 15 0 "[ . 1 . 2]" 26 . 1 35 HIS C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -80.93 -49.13 -67.92 -65.12 -66.43 0.30 19 0 "[ . 1 . 2]" 27 . 1 36 ARG C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -76.62 -53.14 -62.21 -72.48 -52.56 0.58 15 0 "[ . 1 . 2]" 28 . 1 37 GLU C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -79.30 -49.42 -65.76 -63.80 -67.05 1.53 15 0 "[ . 1 . 2]" 29 . 1 38 ALA C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -79.22 -54.22 -60.66 -79.89 -53.28 0.94 14 0 "[ . 1 . 2]" 30 . 1 39 GLU C 1 40 MET N 1 40 MET CA 1 40 MET C -83.64 -49.64 -66.92 -85.38 -49.60 1.74 5 0 "[ . 1 . 2]" 31 . 1 40 MET C 1 41 ARG N 1 41 ARG CA 1 41 ARG C -73.77 -48.97 -69.23 -66.34 -69.80 3.11 7 0 "[ . 1 . 2]" 32 . 1 41 ARG C 1 42 ASN N 1 42 ASN CA 1 42 ASN C -71.31 -57.43 -61.98 -61.60 -63.11 0.64 18 0 "[ . 1 . 2]" 33 . 1 42 ASN C 1 43 SER N 1 43 SER CA 1 43 SER C -78.92 -56.00 -61.53 -56.51 -57.18 1.53 17 0 "[ . 1 . 2]" 34 . 1 43 SER C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -75.36 -55.52 -71.46 -78.51 -59.00 3.15 2 0 "[ . 1 . 2]" 35 . 1 44 ILE C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -85.20 -46.68 -64.65 -63.48 -65.03 . . 0 "[ . 1 . 2]" 36 . 1 45 LEU C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -92.80 -48.64 -69.62 -71.17 -73.11 . . 0 "[ . 1 . 2]" 37 . 1 46 ALA C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -96.46 -46.46 -90.37 -89.75 -93.23 1.75 5 0 "[ . 1 . 2]" 38 . 1 47 GLN C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -137.01 -70.13 -84.77 -96.27 -69.93 0.20 9 0 "[ . 1 . 2]" 39 . 1 50 ASP C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -70.47 -48.51 -51.62 -50.78 -52.72 0.58 5 0 "[ . 1 . 2]" 40 . 1 51 GLN C 1 52 SER N 1 52 SER CA 1 52 SER C -80.86 -55.14 -70.38 -81.32 -63.44 0.46 2 0 "[ . 1 . 2]" 41 . 1 52 SER C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -75.07 -51.75 -70.52 -67.40 -68.11 0.32 5 0 "[ . 1 . 2]" 42 . 1 53 ALA C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -77.40 -55.04 -64.55 -73.92 -59.58 . . 0 "[ . 1 . 2]" 43 . 1 54 ARG C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -79.59 -46.71 -65.95 -70.22 -60.81 . . 0 "[ . 1 . 2]" 44 . 1 55 ALA C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -82.01 -51.85 -61.73 -57.12 -58.14 . . 0 "[ . 1 . 2]" 45 . 1 56 ARG C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -73.69 -46.49 -63.05 -62.32 -63.20 . . 0 "[ . 1 . 2]" 46 . 1 57 LEU C 1 58 SER N 1 58 SER CA 1 58 SER C -70.91 -57.59 -64.07 -68.27 -59.11 . . 0 "[ . 1 . 2]" 47 . 1 58 SER C 1 59 ASN N 1 59 ASN CA 1 59 ASN C -80.45 -50.49 -64.06 -66.10 -66.80 . . 0 "[ . 1 . 2]" 48 . 1 59 ASN C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -76.13 -50.25 -64.93 -67.00 -68.82 . . 0 "[ . 1 . 2]" 49 . 1 60 LEU C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -85.77 -49.61 -62.12 -63.78 -64.44 . . 0 "[ . 1 . 2]" 50 . 1 61 ALA C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -111.21 -50.65 -82.69 -99.46 -67.67 . . 0 "[ . 1 . 2]" 51 . 1 64 LYS C 1 65 PRO N 1 65 PRO CA 1 65 PRO C -70.79 -44.15 -64.58 -71.05 -57.84 0.26 5 0 "[ . 1 . 2]" 52 . 1 65 PRO C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -77.03 -53.23 -63.18 -74.61 -51.93 1.30 12 0 "[ . 1 . 2]" 53 . 1 66 GLU C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -78.18 -56.74 -77.45 -80.01 -67.88 1.83 13 0 "[ . 1 . 2]" 54 . 1 67 LYS C 1 68 THR N 1 68 THR CA 1 68 THR C -77.04 -54.32 -60.78 -64.28 -56.17 . . 0 "[ . 1 . 2]" 55 . 1 68 THR C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -69.77 -54.25 -60.84 -53.93 -57.08 0.79 2 0 "[ . 1 . 2]" 56 . 1 69 LYS C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -69.72 -58.88 -66.86 -70.33 -70.89 1.17 1 0 "[ . 1 . 2]" 57 . 1 70 ALA C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -75.42 -55.58 -68.22 -66.12 -66.97 . . 0 "[ . 1 . 2]" 58 . 1 71 VAL C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -67.02 -51.30 -58.54 -56.79 -58.44 . . 0 "[ . 1 . 2]" 59 . 1 72 GLU C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -80.81 -51.93 -59.23 -58.95 -60.67 . . 0 "[ . 1 . 2]" 60 . 1 73 ASN C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -74.14 -57.94 -65.18 -74.09 -59.41 . . 0 "[ . 1 . 2]" 61 . 1 74 TYR C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -66.18 -56.70 -63.26 -66.50 -59.32 0.32 16 0 "[ . 1 . 2]" 62 . 1 75 LEU C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -74.96 -52.32 -56.48 -61.10 -52.93 . . 0 "[ . 1 . 2]" 63 . 1 76 ILE C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -75.34 -47.50 -68.21 -63.63 -64.25 0.30 5 0 "[ . 1 . 2]" 64 . 1 77 GLN C 1 78 MET N 1 78 MET CA 1 78 MET C -68.64 -59.48 -61.75 -59.64 -61.29 1.06 4 0 "[ . 1 . 2]" 65 . 1 78 MET C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -74.53 -48.77 -67.34 -62.18 -64.79 . . 0 "[ . 1 . 2]" 66 . 1 79 ALA C 1 80 ARG N 1 80 ARG CA 1 80 ARG C -82.32 -52.88 -65.10 -68.74 -71.04 . . 0 "[ . 1 . 2]" 67 . 1 83 GLN C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -141.40 -39.80 -100.70 -85.60 -89.39 0.50 13 0 "[ . 1 . 2]" 68 . 1 86 GLU C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -143.59 -29.11 -77.10 -67.96 -70.79 . . 0 "[ . 1 . 2]" 69 . 1 87 LYS C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -106.18 -49.38 -85.05 -102.22 -66.42 . . 0 "[ . 1 . 2]" 70 . 1 88 VAL C 1 89 SER N 1 89 SER CA 1 89 SER C -126.90 -67.38 -84.72 -93.84 -76.18 . . 0 "[ . 1 . 2]" 71 . 1 89 SER C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -75.67 -49.83 -58.58 -65.54 -51.32 . . 0 "[ . 1 . 2]" 72 . 1 90 GLU C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -70.73 -52.25 -60.68 -68.93 -55.44 . . 0 "[ . 1 . 2]" 73 . 1 91 GLN C 1 92 GLY N 1 92 GLY CA 1 92 GLY C -84.13 -51.93 -70.27 -64.91 -67.44 0.08 20 0 "[ . 1 . 2]" 74 . 1 92 GLY C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -75.34 -57.18 -66.84 -74.04 -60.63 . . 0 "[ . 1 . 2]" 75 . 1 93 LEU C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -72.31 -55.55 -63.15 -65.30 -66.32 . . 0 "[ . 1 . 2]" 76 . 1 94 ILE C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -68.64 -62.88 -64.89 -69.71 -61.44 1.44 16 0 "[ . 1 . 2]" 77 . 1 95 GLU C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -74.33 -54.93 -67.23 -74.72 -61.58 0.39 7 0 "[ . 1 . 2]" 78 . 1 96 ILE C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -70.47 -48.99 -59.75 -64.81 -51.88 . . 0 "[ . 1 . 2]" 79 . 1 97 LEU C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -69.25 -59.05 -62.71 -69.40 -58.66 0.39 4 0 "[ . 1 . 2]" 80 . 1 98 LYS C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -70.60 -53.12 -64.62 -60.82 -63.37 4.28 1 0 "[ . 1 . 2]" 81 . 1 100 VAL C 1 101 SER N 1 101 SER CA 1 101 SER C -85.90 -41.02 -69.84 -86.67 -47.11 0.77 2 0 "[ . 1 . 2]" 82 . 1 101 SER C 1 102 GLN N 1 102 GLN CA 1 102 GLN C -104.68 -41.76 -88.81 -82.45 -89.35 1.05 17 0 "[ . 1 . 2]" 83 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 ASP N -77.82 10.14 -45.29 -64.57 -34.63 . . 0 "[ . 1 . 2]" 84 . 1 4 ASP N 1 4 ASP CA 1 4 ASP C 1 5 GLU N -62.36 -21.00 -38.28 -34.51 -34.99 . . 0 "[ . 1 . 2]" 85 . 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 GLU N -53.87 -23.55 -45.39 -52.45 -34.25 . . 0 "[ . 1 . 2]" 86 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 LEU N -56.12 -27.16 -36.05 -49.98 -26.33 0.83 8 0 "[ . 1 . 2]" 87 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 GLU N -55.62 -24.26 -45.04 -54.13 -32.21 . . 0 "[ . 1 . 2]" 88 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 ALA N -55.48 -30.48 -42.73 -55.59 -30.30 0.18 1 0 "[ . 1 . 2]" 89 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 LEU N -57.26 -25.86 -43.78 -56.61 -33.65 . . 0 "[ . 1 . 2]" 90 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 ARG N -56.38 -27.82 -44.51 -53.21 -34.06 . . 0 "[ . 1 . 2]" 91 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 ARG N -51.08 -26.20 -43.17 -45.16 -47.71 0.25 17 0 "[ . 1 . 2]" 92 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 GLN N -47.68 -29.64 -38.42 -47.80 -29.00 0.64 16 0 "[ . 1 . 2]" 93 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 ARG N -53.49 -31.09 -45.59 -53.07 -37.77 . . 0 "[ . 1 . 2]" 94 . 1 14 ARG N 1 14 ARG CA 1 14 ARG C 1 15 LEU N -55.43 -25.39 -36.97 -34.81 -36.27 0.25 12 0 "[ . 1 . 2]" 95 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 ALA N -55.02 -27.30 -37.73 -44.52 -46.81 . . 0 "[ . 1 . 2]" 96 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 GLU N -53.32 -25.96 -35.77 -41.74 -44.60 1.30 10 0 "[ . 1 . 2]" 97 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 LEU N -57.61 -25.09 -37.86 -49.50 -23.52 1.57 1 0 "[ . 1 . 2]" 98 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 GLN N -57.74 -18.06 -39.58 -46.86 -48.60 2.90 13 0 "[ . 1 . 2]" 99 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 PRO N 58.45 -161.47 138.64 93.03 176.06 . . 0 "[ . 1 . 2]" 100 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 ALA N -56.94 -24.06 -34.98 -29.40 -30.95 0.83 17 0 "[ . 1 . 2]" 101 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 GLN N -54.44 -26.44 -39.36 -54.79 -25.84 0.60 15 0 "[ . 1 . 2]" 102 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 GLN N -59.13 -26.01 -36.96 -38.22 -41.13 0.82 15 0 "[ . 1 . 2]" 103 . 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 GLU N -57.88 -22.96 -40.79 -57.79 -30.00 . . 0 "[ . 1 . 2]" 104 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ALA N -55.41 -27.37 -40.78 -55.02 -26.53 0.84 15 0 "[ . 1 . 2]" 105 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 LYS N -62.08 -16.88 -43.22 -43.46 -44.11 . . 0 "[ . 1 . 2]" 106 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 HIS N -55.81 -16.85 -35.92 -36.05 -37.03 . . 0 "[ . 1 . 2]" 107 . 1 35 HIS N 1 35 HIS CA 1 35 HIS C 1 36 ARG N -58.70 -25.30 -40.94 -38.78 -40.52 . . 0 "[ . 1 . 2]" 108 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 GLU N -50.32 -24.88 -32.62 -46.54 -23.93 0.95 3 0 "[ . 1 . 2]" 109 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 ALA N -57.32 -27.36 -46.29 -59.28 -32.05 1.96 16 0 "[ . 1 . 2]" 110 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 GLU N -58.02 -26.70 -46.33 -58.12 -33.51 0.10 20 0 "[ . 1 . 2]" 111 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 MET N -49.15 -31.19 -46.30 -39.76 -41.63 1.97 5 0 "[ . 1 . 2]" 112 . 1 40 MET N 1 40 MET CA 1 40 MET C 1 41 ARG N -49.47 -27.47 -43.92 -51.03 -33.24 1.56 7 0 "[ . 1 . 2]" 113 . 1 41 ARG N 1 41 ARG CA 1 41 ARG C 1 42 ASN N -55.33 -27.29 -45.02 -55.36 -26.89 0.40 5 0 "[ . 1 . 2]" 114 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 SER N -47.82 -27.22 -39.04 -39.78 -42.09 0.33 12 0 "[ . 1 . 2]" 115 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 ILE N -49.99 -26.99 -45.25 -51.60 -26.55 1.61 7 0 "[ . 1 . 2]" 116 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 LEU N -49.52 -38.72 -39.58 -49.38 -36.94 1.78 8 0 "[ . 1 . 2]" 117 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 ALA N -55.03 -24.43 -38.57 -53.74 -27.39 . . 0 "[ . 1 . 2]" 118 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLN N -57.36 -19.24 -23.63 -19.51 -21.07 0.80 10 0 "[ . 1 . 2]" 119 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 VAL N -50.68 -19.68 -32.21 -26.96 -29.99 0.42 14 0 "[ . 1 . 2]" 120 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 LEU N -44.41 22.51 -37.34 -43.04 -44.54 1.57 1 0 "[ . 1 . 2]" 121 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 SER N -50.21 -24.73 -37.53 -50.36 -31.37 0.15 2 0 "[ . 1 . 2]" 122 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 ALA N -54.91 -22.99 -38.91 -34.69 -36.08 0.80 2 0 "[ . 1 . 2]" 123 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 ARG N -50.72 -35.64 -36.47 -36.38 -37.33 0.73 14 0 "[ . 1 . 2]" 124 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 ALA N -51.16 -26.60 -39.68 -31.40 -37.87 . . 0 "[ . 1 . 2]" 125 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 ARG N -58.45 -27.97 -42.14 -48.54 -35.32 . . 0 "[ . 1 . 2]" 126 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 LEU N -55.84 -24.04 -42.10 -51.56 -35.59 . . 0 "[ . 1 . 2]" 127 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 SER N -49.49 -29.37 -40.02 -49.56 -27.86 1.51 16 0 "[ . 1 . 2]" 128 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 ASN N -55.27 -25.43 -38.83 -45.34 -47.48 . . 0 "[ . 1 . 2]" 129 . 1 59 ASN N 1 59 ASN CA 1 59 ASN C 1 60 LEU N -57.58 -21.14 -41.58 -52.22 -28.95 . . 0 "[ . 1 . 2]" 130 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ALA N -60.65 -16.25 -35.97 -40.53 -31.03 . . 0 "[ . 1 . 2]" 131 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 LEU N -56.76 -21.92 -27.43 -39.00 -21.80 0.12 18 0 "[ . 1 . 2]" 132 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 VAL N -56.52 -9.08 -26.84 -44.59 -8.85 0.23 16 0 "[ . 1 . 2]" 133 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 GLU N -52.48 -9.60 -18.13 -13.02 -17.10 1.07 3 0 "[ . 1 . 2]" 134 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 LYS N -57.14 -22.42 -42.19 -41.10 -44.16 . . 0 "[ . 1 . 2]" 135 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 THR N -54.35 -30.31 -29.97 -35.12 -28.63 1.68 16 0 "[ . 1 . 2]" 136 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 LYS N -50.88 -31.76 -48.55 -41.54 -43.81 1.11 14 0 "[ . 1 . 2]" 137 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 ALA N -55.83 -31.51 -36.93 -47.18 -30.53 0.98 5 0 "[ . 1 . 2]" 138 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 VAL N -50.96 -25.80 -48.17 -51.47 -41.24 0.51 16 0 "[ . 1 . 2]" 139 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 GLU N -55.36 -35.08 -39.74 -43.60 -35.27 . . 0 "[ . 1 . 2]" 140 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 ASN N -54.52 -31.12 -47.33 -53.10 -39.03 . . 0 "[ . 1 . 2]" 141 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 TYR N -47.90 -29.82 -42.07 -48.17 -36.04 0.27 2 0 "[ . 1 . 2]" 142 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 LEU N -57.64 -31.04 -46.03 -42.16 -43.43 . . 0 "[ . 1 . 2]" 143 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 ILE N -46.92 -38.16 -38.63 -43.38 -37.01 1.15 14 0 "[ . 1 . 2]" 144 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 GLN N -50.24 -28.72 -46.34 -50.48 -40.33 0.24 19 0 "[ . 1 . 2]" 145 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 MET N -50.91 -28.91 -46.46 -47.44 -50.05 0.98 10 0 "[ . 1 . 2]" 146 . 1 78 MET N 1 78 MET CA 1 78 MET C 1 79 ALA N -52.88 -32.76 -39.97 -46.18 -32.04 0.72 20 0 "[ . 1 . 2]" 147 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 ARG N -55.68 -31.88 -36.05 -40.30 -31.43 0.45 12 0 "[ . 1 . 2]" 148 . 1 80 ARG N 1 80 ARG CA 1 80 ARG C 1 81 TYR N -54.52 -11.48 -31.35 -43.16 -11.03 0.45 10 0 "[ . 1 . 2]" 149 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 SER N 91.82 -175.10 122.13 133.85 121.51 1.77 18 0 "[ . 1 . 2]" 150 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 VAL N 118.16 167.44 138.71 146.57 145.15 0.87 13 0 "[ . 1 . 2]" 151 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 SER N 113.12 150.16 124.41 111.20 150.43 1.92 2 0 "[ . 1 . 2]" 152 . 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 GLU N 139.75 -170.65 179.75 -170.82 -173.82 0.07 4 0 "[ . 1 . 2]" 153 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 GLN N -48.02 -25.38 -45.56 -38.15 -40.33 1.43 6 0 "[ . 1 . 2]" 154 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 GLY N -56.24 -17.04 -35.89 -50.27 -18.65 . . 0 "[ . 1 . 2]" 155 . 1 92 GLY N 1 92 GLY CA 1 92 GLY C 1 93 LEU N -52.11 -25.19 -40.40 -42.82 -45.14 . . 0 "[ . 1 . 2]" 156 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ILE N -63.93 -14.01 -38.40 -38.87 -39.90 . . 0 "[ . 1 . 2]" 157 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 GLU N -55.70 -27.54 -34.92 -37.07 -37.40 . . 0 "[ . 1 . 2]" 158 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 ILE N -49.62 -26.10 -41.07 -49.94 -33.66 0.32 10 0 "[ . 1 . 2]" 159 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 LEU N -53.01 -35.97 -40.43 -42.63 -45.63 0.37 20 0 "[ . 1 . 2]" 160 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 LYS N -54.00 -31.88 -41.49 -52.60 -31.47 0.41 17 0 "[ . 1 . 2]" 161 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 LYS N -53.58 -32.74 -42.70 -46.32 -47.26 0.45 20 0 "[ . 1 . 2]" 162 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 VAL N -59.40 -17.44 -42.66 -58.18 -21.41 . . 0 "[ . 1 . 2]" 163 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 GLN N -58.45 -18.45 -34.26 -54.90 -18.21 0.24 6 0 "[ . 1 . 2]" 164 . 1 102 GLN N 1 102 GLN CA 1 102 GLN C 1 103 GLN N -77.85 32.11 -62.53 -57.97 -64.54 0.18 19 0 "[ . 1 . 2]" stop_ save_
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