NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
409398 | 1zg2 | 6717 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1zg2 save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 134 _TA_constraint_stats_list.Viol_count 124 _TA_constraint_stats_list.Viol_total 1807.82 _TA_constraint_stats_list.Viol_max 17.21 _TA_constraint_stats_list.Viol_rms 0.68 _TA_constraint_stats_list.Viol_average_all_restraints 0.13 _TA_constraint_stats_list.Viol_average_violations_only 1.46 _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 38 GLY C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -180.00 115.00 -1.65 -62.22 -66.60 . . 0 "[ . 1]" 2 . 1 40 GLY C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -180.00 105.00 30.97 53.07 -65.98 . . 0 "[ . 1]" 3 . 1 44 THR C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -175.00 100.00 70.11 42.18 -85.66 . . 0 "[ . 1]" 4 . 1 90 TYR C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -175.00 100.00 -86.49 -167.06 74.27 . . 0 "[ . 1]" 5 . 1 91 GLU C 1 92 ASN N 1 92 ASN CA 1 92 ASN C -170.00 95.00 48.72 53.32 -69.87 . . 0 "[ . 1]" 6 . 1 92 ASN C 1 93 THR N 1 93 THR CA 1 93 THR C -165.00 85.00 -13.16 -128.64 61.13 . . 0 "[ . 1]" 7 . 1 94 THR C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -170.00 90.00 -172.49 -170.28 -170.73 0.74 3 0 "[ . 1]" 8 . 1 96 LEU C 1 97 SER N 1 97 SER CA 1 97 SER C -175.00 100.00 -129.23 64.27 -72.81 . . 0 "[ . 1]" 9 . 1 97 SER C 1 98 THR N 1 98 THR CA 1 98 THR C -170.00 90.00 -100.09 52.17 -56.79 1.66 7 0 "[ . 1]" 10 . 1 6 MET C 1 7 ASN N 1 7 ASN CA 1 7 ASN C -170.00 -70.00 -87.68 -90.73 -96.06 . . 0 "[ . 1]" 11 . 1 7 ASN C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -160.00 -80.00 -104.50 -92.06 -96.28 . . 0 "[ . 1]" 12 . 1 7 ASN N 1 7 ASN CA 1 7 ASN C 1 8 HIS N 60.00 180.00 121.32 120.41 113.05 . . 0 "[ . 1]" 13 . 1 8 HIS C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -165.00 -75.00 -106.37 -111.28 -115.33 . . 0 "[ . 1]" 14 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 TYR N 60.00 180.00 111.74 119.69 112.74 . . 0 "[ . 1]" 15 . 1 9 TYR C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -155.00 -85.00 -104.00 -126.42 -84.52 0.48 1 0 "[ . 1]" 16 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 VAL N 60.00 180.00 127.76 122.79 112.07 . . 0 "[ . 1]" 17 . 1 10 VAL C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -160.00 -80.00 -108.46 -124.51 -98.49 . . 0 "[ . 1]" 18 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 TYR N 60.00 180.00 106.97 94.88 115.28 . . 0 "[ . 1]" 19 . 1 11 TYR C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -180.00 -70.00 -117.53 -108.97 -117.63 . . 0 "[ . 1]" 20 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 ILE N 60.00 180.00 137.23 127.44 146.86 . . 0 "[ . 1]" 21 . 1 12 ILE C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -160.00 -80.00 -105.59 -112.66 -92.76 . . 0 "[ . 1]" 22 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 LEU N 60.00 180.00 114.06 104.54 123.11 . . 0 "[ . 1]" 23 . 1 13 LEU C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -165.00 -75.00 -85.92 -95.09 -77.65 . . 0 "[ . 1]" 24 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 GLU N 60.00 180.00 131.01 123.17 141.16 . . 0 "[ . 1]" 25 . 1 14 GLU C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -165.00 -75.00 -86.17 -102.16 -73.44 1.56 10 0 "[ . 1]" 26 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 CYS N 60.00 180.00 119.71 107.04 133.79 . . 0 "[ . 1]" 27 . 1 15 CYS C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -60.00 180.00 -56.93 -53.17 -53.31 1.78 5 0 "[ . 1]" 28 . 1 15 CYS N 1 15 CYS CA 1 15 CYS C 1 16 LYS N 60.00 180.00 169.32 177.65 174.29 . . 0 "[ . 1]" 29 . 1 16 LYS C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -165.00 80.00 -81.43 -74.82 -80.28 . . 0 "[ . 1]" 30 . 1 19 SER C 1 20 TRP N 1 20 TRP CA 1 20 TRP C -165.00 -75.00 -89.24 -102.21 -76.44 . . 0 "[ . 1]" 31 . 1 20 TRP C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -160.00 -80.00 -95.56 -91.62 -91.77 . . 0 "[ . 1]" 32 . 1 20 TRP N 1 20 TRP CA 1 20 TRP C 1 21 TYR N 60.00 180.00 124.77 125.83 124.82 . . 0 "[ . 1]" 33 . 1 21 TYR C 1 22 THR N 1 22 THR CA 1 22 THR C -180.00 -70.00 -90.91 -95.99 -103.42 . . 0 "[ . 1]" 34 . 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 THR N 60.00 180.00 109.31 122.47 116.94 . . 0 "[ . 1]" 35 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 GLY N 60.00 180.00 106.47 95.42 130.20 . . 0 "[ . 1]" 36 . 1 22 THR C 1 23 GLY N 1 23 GLY CA 1 23 GLY C -180.00 -70.00 -117.87 -130.26 -168.51 . . 0 "[ . 1]" 37 . 1 23 GLY N 1 23 GLY CA 1 23 GLY C 1 24 TYR N 60.00 180.00 141.14 146.50 139.11 . . 0 "[ . 1]" 38 . 1 23 GLY C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -180.00 -70.00 -107.06 -138.55 -82.08 . . 0 "[ . 1]" 39 . 1 24 TYR C 1 25 THR N 1 25 THR CA 1 25 THR C -180.00 -70.00 -124.17 -150.79 -99.79 . . 0 "[ . 1]" 40 . 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 THR N 60.00 180.00 123.57 101.21 145.39 . . 0 "[ . 1]" 41 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 THR N 60.00 180.00 139.77 162.01 153.08 . . 0 "[ . 1]" 42 . 1 25 THR C 1 26 THR N 1 26 THR CA 1 26 THR C -180.00 -70.00 -131.70 -154.09 -73.59 . . 0 "[ . 1]" 43 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 ASP N 60.00 180.00 88.48 90.45 78.46 3.11 8 0 "[ . 1]" 44 . 1 26 THR C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -170.00 -70.00 -124.03 -136.62 -137.16 3.56 8 0 "[ . 1]" 45 . 1 27 ASP C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -60.00 -30.00 -61.68 -64.98 -55.89 4.98 2 0 "[ . 1]" 46 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 VAL N 60.00 180.00 132.94 140.45 127.26 3.72 9 0 "[ . 1]" 47 . 1 28 VAL C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -100.00 -30.00 -60.54 -72.04 -51.10 . . 0 "[ . 1]" 48 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 ASP N -75.00 5.00 -28.14 -17.26 -22.07 . . 0 "[ . 1]" 49 . 1 29 ASP C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -75.00 -45.00 -57.53 -56.05 -58.05 . . 0 "[ . 1]" 50 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 ARG N -75.00 5.00 -40.27 -39.64 -44.79 . . 0 "[ . 1]" 51 . 1 30 ARG C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -100.00 -30.00 -67.91 -76.05 -60.12 . . 0 "[ . 1]" 52 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 ARG N -75.00 5.00 -44.81 -59.70 -37.13 . . 0 "[ . 1]" 53 . 1 31 ARG C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -60.00 -30.00 -61.64 -62.58 -60.98 2.58 10 0 "[ . 1]" 54 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 ILE N -75.00 5.00 -53.50 -56.80 -58.53 . . 0 "[ . 1]" 55 . 1 32 ILE C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -60.00 -30.00 -60.90 -61.73 -58.48 1.73 8 0 "[ . 1]" 56 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 LYS N -75.00 5.00 -40.14 -31.68 -34.42 . . 0 "[ . 1]" 57 . 1 33 LYS C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -60.00 -30.00 -60.33 -57.58 -60.16 2.67 5 0 "[ . 1]" 58 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 LYS N -75.00 5.00 -47.08 -41.44 -43.45 . . 0 "[ . 1]" 59 . 1 34 LYS C 1 35 HIS N 1 35 HIS CA 1 35 HIS C -100.00 -30.00 -68.25 -66.93 -67.58 . . 0 "[ . 1]" 60 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 HIS N -75.00 5.00 -36.00 -46.05 -27.44 . . 0 "[ . 1]" 61 . 1 35 HIS C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -60.00 -30.00 -61.70 -61.09 -61.61 3.79 5 0 "[ . 1]" 62 . 1 35 HIS N 1 35 HIS CA 1 35 HIS C 1 36 ALA N -75.00 5.00 -46.95 -60.50 -39.09 . . 0 "[ . 1]" 63 . 1 36 ALA C 1 37 SER N 1 37 SER CA 1 37 SER C -95.00 -70.00 -76.56 -94.17 -68.76 1.24 8 0 "[ . 1]" 64 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 SER N -75.00 5.00 -46.40 -41.25 -44.06 . . 0 "[ . 1]" 65 . 1 37 SER C 1 38 GLY N 1 38 GLY CA 1 38 GLY C -100.00 -30.00 -70.10 -81.76 -57.94 . . 0 "[ . 1]" 66 . 1 38 GLY N 1 38 GLY CA 1 38 GLY C 1 39 LYS N -75.00 5.00 -24.99 -15.25 -22.26 2.54 7 0 "[ . 1]" 67 . 1 37 SER N 1 37 SER CA 1 37 SER C 1 38 GLY N -75.00 5.00 -30.34 -22.31 -29.04 . . 0 "[ . 1]" 68 . 1 46 GLY C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -170.00 90.00 -83.52 55.81 -67.20 . . 0 "[ . 1]" 69 . 1 49 PRO C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -180.00 -70.00 -114.08 -147.15 -78.31 . . 0 "[ . 1]" 70 . 1 50 PHE C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -160.00 -80.00 -113.61 -143.70 -92.91 . . 0 "[ . 1]" 71 . 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 ARG N 60.00 180.00 128.09 100.06 -175.53 4.47 3 0 "[ . 1]" 72 . 1 51 ARG C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -180.00 -70.00 -79.24 -69.77 -72.24 0.69 2 0 "[ . 1]" 73 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 LEU N 60.00 180.00 131.06 106.15 -179.87 0.13 3 0 "[ . 1]" 74 . 1 52 LEU C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -165.00 85.00 -88.74 -110.39 -79.57 . . 0 "[ . 1]" 75 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 VAL N 60.00 180.00 119.62 119.68 116.31 . . 0 "[ . 1]" 76 . 1 53 VAL C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -180.00 -70.00 -156.34 -155.47 -160.28 . . 0 "[ . 1]" 77 . 1 54 ALA C 1 55 THR N 1 55 THR CA 1 55 THR C -165.00 -75.00 -145.63 -153.84 -133.88 . . 0 "[ . 1]" 78 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 THR N 60.00 180.00 162.97 153.23 171.48 . . 0 "[ . 1]" 79 . 1 55 THR C 1 56 TRP N 1 56 TRP CA 1 56 TRP C -160.00 -80.00 -115.55 -142.69 -99.23 . . 0 "[ . 1]" 80 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 TRP N 60.00 180.00 126.31 128.18 127.98 . . 0 "[ . 1]" 81 . 1 56 TRP C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -180.00 -70.00 -125.61 -146.80 -99.93 . . 0 "[ . 1]" 82 . 1 56 TRP N 1 56 TRP CA 1 56 TRP C 1 57 ALA N 60.00 180.00 146.49 151.34 129.97 1.61 9 0 "[ . 1]" 83 . 1 57 ALA C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -160.00 -80.00 -124.88 -117.10 -125.43 . . 0 "[ . 1]" 84 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 PHE N 60.00 180.00 124.69 109.58 155.60 . . 0 "[ . 1]" 85 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 PRO N 60.00 180.00 128.64 125.02 120.54 . . 0 "[ . 1]" 86 . 1 59 PRO C 1 60 SER N 1 60 SER CA 1 60 SER C -170.00 90.00 -102.05 -89.78 -94.73 . . 0 "[ . 1]" 87 . 1 60 SER C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -60.00 -30.00 -61.10 -61.18 -61.38 2.20 8 0 "[ . 1]" 88 . 1 61 LYS C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -65.00 -30.00 -62.06 -66.35 -54.87 1.35 4 0 "[ . 1]" 89 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 GLU N -75.00 5.00 -48.11 -54.51 -56.36 . . 0 "[ . 1]" 90 . 1 62 GLU C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -80.00 -55.00 -62.28 -68.52 -56.55 . . 0 "[ . 1]" 91 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 GLU N -75.00 5.00 -43.61 -33.20 -37.27 . . 0 "[ . 1]" 92 . 1 63 GLU C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -70.00 -40.00 -64.95 -70.22 -59.37 0.22 4 0 "[ . 1]" 93 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 ALA N -75.00 5.00 -45.73 -58.04 -37.56 . . 0 "[ . 1]" 94 . 1 64 ALA C 1 65 MET N 1 65 MET CA 1 65 MET C -75.00 -45.00 -65.90 -63.39 -64.74 . . 0 "[ . 1]" 95 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 MET N -75.00 5.00 -41.40 -36.18 -41.30 . . 0 "[ . 1]" 96 . 1 65 MET C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -80.00 -50.00 -65.71 -60.46 -65.05 . . 0 "[ . 1]" 97 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 ARG N -75.00 5.00 -45.29 -51.83 -40.99 . . 0 "[ . 1]" 98 . 1 66 ARG C 1 67 TRP N 1 67 TRP CA 1 67 TRP C -80.00 -55.00 -57.19 -59.77 -63.57 0.35 4 0 "[ . 1]" 99 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 TRP N -75.00 5.00 -42.81 -51.02 -34.12 . . 0 "[ . 1]" 100 . 1 67 TRP C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -60.00 -30.00 -56.21 -60.43 -48.62 0.43 10 0 "[ . 1]" 101 . 1 67 TRP N 1 67 TRP CA 1 67 TRP C 1 68 GLU N -75.00 5.00 -55.82 -65.94 -48.29 . . 0 "[ . 1]" 102 . 1 68 GLU C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -70.00 -40.00 -56.38 -55.56 -56.37 . . 0 "[ . 1]" 103 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 TYR N -75.00 5.00 -50.17 -53.55 -54.70 . . 0 "[ . 1]" 104 . 1 69 TYR C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -80.00 -50.00 -65.28 -64.28 -69.33 . . 0 "[ . 1]" 105 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 GLU N -75.00 5.00 -44.23 -52.78 -31.19 . . 0 "[ . 1]" 106 . 1 70 GLU C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -70.00 -40.00 -62.32 -63.58 -70.12 0.72 1 0 "[ . 1]" 107 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 VAL N -75.00 5.00 -46.06 -61.06 -34.48 . . 0 "[ . 1]" 108 . 1 71 VAL C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -70.00 -40.00 -63.88 -58.40 -61.98 1.69 1 0 "[ . 1]" 109 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 LYS N -75.00 5.00 -35.68 -43.43 -24.40 . . 0 "[ . 1]" 110 . 1 72 LYS C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -100.00 -70.00 -89.38 -100.73 -77.42 0.73 2 0 "[ . 1]" 111 . 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 LEU N -75.00 5.00 -8.94 -12.91 -31.09 3.02 2 0 "[ . 1]" 112 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 HIS N -75.00 5.00 -35.01 -47.26 -14.47 . . 0 "[ . 1]" 113 . 1 73 HIS C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -180.00 105.00 -70.92 -66.34 -71.51 . . 0 "[ . 1]" 114 . 1 74 LEU C 1 75 SER N 1 75 SER CA 1 75 SER C -75.00 -165.00 -79.89 -75.72 -76.51 17.21 6 1 "[ .+ 1]" 115 . 1 75 SER C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -60.00 -30.00 -52.68 -56.73 -57.87 0.61 7 0 "[ . 1]" 116 . 1 76 ARG C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -70.00 -30.00 -64.13 -70.72 -58.47 0.72 10 0 "[ . 1]" 117 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 ARG N -75.00 5.00 -41.36 -36.43 -42.42 . . 0 "[ . 1]" 118 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 LYS N -75.00 5.00 -36.82 -42.38 -42.40 . . 0 "[ . 1]" 119 . 1 77 ARG C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -95.00 -65.00 -74.34 -67.11 -71.05 0.59 7 0 "[ . 1]" 120 . 1 78 LYS C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -75.00 -45.00 -66.82 -75.98 -61.96 0.98 7 0 "[ . 1]" 121 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 LYS N -75.00 5.00 -34.59 -41.98 -27.86 . . 0 "[ . 1]" 122 . 1 79 LYS C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -70.00 -40.00 -66.12 -69.08 -64.62 . . 0 "[ . 1]" 123 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 GLU N -75.00 5.00 -39.16 -45.33 -31.61 . . 0 "[ . 1]" 124 . 1 80 GLU C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -75.00 -50.00 -61.92 -74.12 -52.83 . . 0 "[ . 1]" 125 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 GLN N -75.00 5.00 -39.09 -39.76 -41.92 . . 0 "[ . 1]" 126 . 1 81 GLN C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -75.00 -45.00 -61.70 -69.86 -54.04 . . 0 "[ . 1]" 127 . 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 LEU N -75.00 5.00 -41.56 -50.42 -36.50 . . 0 "[ . 1]" 128 . 1 82 LEU C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -85.00 -60.00 -74.87 -85.50 -68.95 0.50 6 0 "[ . 1]" 129 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 VAL N -75.00 5.00 -38.09 -27.36 -32.09 . . 0 "[ . 1]" 130 . 1 83 VAL C 1 84 SER N 1 84 SER CA 1 84 SER C -80.00 -50.00 -68.52 -76.75 -57.06 . . 0 "[ . 1]" 131 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 SER N -75.00 5.00 -30.19 -4.28 -18.16 . . 0 "[ . 1]" 132 . 1 84 SER C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -175.00 100.00 -85.64 -109.64 -67.43 . . 0 "[ . 1]" 133 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 LEU N -75.00 5.00 -17.59 4.41 -5.95 . . 0 "[ . 1]" 134 . 1 85 LEU C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -75.00 -165.00 -89.92 -76.70 -159.81 5.19 10 1 "[ . +]" stop_ save_ save_distance_constraint_statistics_2 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 116 _TA_constraint_stats_list.Viol_count 47 _TA_constraint_stats_list.Viol_total 801.60 _TA_constraint_stats_list.Viol_max 13.65 _TA_constraint_stats_list.Viol_rms 0.55 _TA_constraint_stats_list.Viol_average_all_restraints 0.07 _TA_constraint_stats_list.Viol_average_violations_only 1.71 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details . 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 7 ASN C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -155.72 -75.72 -104.50 -92.06 -96.28 . . 0 "[ . 1]" 2 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 TYR N 97.28 -162.72 111.74 119.69 112.74 1.11 7 0 "[ . 1]" 3 . 1 8 HIS C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -160.00 -80.00 -106.37 -111.28 -115.33 . . 0 "[ . 1]" 4 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 VAL N 90.29 -169.71 127.76 122.79 112.07 . . 0 "[ . 1]" 5 . 1 9 TYR C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -164.98 -84.98 -104.00 -126.42 -84.52 0.46 1 0 "[ . 1]" 6 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 TYR N 85.61 -174.39 106.97 94.88 115.28 . . 0 "[ . 1]" 7 . 1 10 VAL C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -174.61 -94.61 -108.46 -124.51 -98.49 . . 0 "[ . 1]" 8 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 ILE N 107.35 -152.65 137.23 127.44 146.86 . . 0 "[ . 1]" 9 . 1 11 TYR C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -163.30 -83.30 -117.53 -108.97 -117.63 . . 0 "[ . 1]" 10 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 LEU N 83.33 -176.67 114.06 104.54 123.11 . . 0 "[ . 1]" 11 . 1 12 ILE C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -172.31 -92.31 -105.59 -112.66 -92.76 . . 0 "[ . 1]" 12 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 GLU N 83.62 -176.38 131.01 123.17 141.16 . . 0 "[ . 1]" 13 . 1 13 LEU C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -150.61 -70.61 -85.92 -95.09 -77.65 . . 0 "[ . 1]" 14 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 CYS N 75.50 175.50 119.71 107.04 133.79 . . 0 "[ . 1]" 15 . 1 15 CYS C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -101.81 -21.81 -56.93 -53.17 -53.31 . . 0 "[ . 1]" 16 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 ASP N -76.16 23.84 -31.12 -53.31 -19.36 . . 0 "[ . 1]" 17 . 1 18 GLY C 1 19 SER N 1 19 SER CA 1 19 SER C -118.45 -38.45 -94.19 -120.24 -70.54 1.79 5 0 "[ . 1]" 18 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 TRP N 93.00 -167.00 130.42 140.04 138.07 . . 0 "[ . 1]" 19 . 1 19 SER C 1 20 TRP N 1 20 TRP CA 1 20 TRP C -156.55 -76.55 -89.24 -102.21 -76.44 0.11 7 0 "[ . 1]" 20 . 1 20 TRP N 1 20 TRP CA 1 20 TRP C 1 21 TYR N 87.73 -172.27 124.77 125.83 124.82 . . 0 "[ . 1]" 21 . 1 20 TRP C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -173.00 -93.00 -95.56 -91.62 -91.77 2.06 7 0 "[ . 1]" 22 . 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 THR N 79.72 179.72 109.31 122.47 116.94 . . 0 "[ . 1]" 23 . 1 21 TYR C 1 22 THR N 1 22 THR CA 1 22 THR C -141.58 -61.58 -90.91 -95.99 -103.42 . . 0 "[ . 1]" 24 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 GLY N 81.39 -178.61 106.47 95.42 130.20 . . 0 "[ . 1]" 25 . 1 23 GLY C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -162.04 -82.04 -107.06 -138.55 -82.08 . . 0 "[ . 1]" 26 . 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 THR N 93.90 -166.10 123.57 101.21 145.39 . . 0 "[ . 1]" 27 . 1 24 TYR C 1 25 THR N 1 25 THR CA 1 25 THR C -162.56 -82.56 -124.17 -150.79 -99.79 . . 0 "[ . 1]" 28 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 THR N 97.67 -162.33 139.77 162.01 153.08 . . 0 "[ . 1]" 29 . 1 26 THR C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -134.04 -54.04 -124.03 -136.62 -137.16 3.12 1 0 "[ . 1]" 30 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 VAL N 83.01 -176.99 132.94 140.45 127.26 0.71 9 0 "[ . 1]" 31 . 1 27 ASP C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -100.24 -20.24 -61.68 -64.98 -55.89 . . 0 "[ . 1]" 32 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 ASP N -92.94 7.06 -28.14 -17.26 -22.07 . . 0 "[ . 1]" 33 . 1 28 VAL C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -102.64 -22.64 -60.54 -72.04 -51.10 . . 0 "[ . 1]" 34 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 ARG N -89.11 10.89 -40.27 -39.64 -44.79 . . 0 "[ . 1]" 35 . 1 29 ASP C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -104.22 -24.22 -57.53 -56.05 -58.05 . . 0 "[ . 1]" 36 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 ARG N -91.15 8.85 -44.81 -59.70 -37.13 . . 0 "[ . 1]" 37 . 1 30 ARG C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -109.67 -29.67 -67.91 -76.05 -60.12 . . 0 "[ . 1]" 38 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 ILE N -91.79 8.21 -53.50 -56.80 -58.53 . . 0 "[ . 1]" 39 . 1 31 ARG C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -101.96 -21.96 -61.64 -62.58 -60.98 . . 0 "[ . 1]" 40 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 LYS N -91.09 8.91 -40.14 -31.68 -34.42 . . 0 "[ . 1]" 41 . 1 32 ILE C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -102.32 -22.32 -60.90 -61.73 -58.48 . . 0 "[ . 1]" 42 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 LYS N -91.79 8.21 -47.08 -41.44 -43.45 . . 0 "[ . 1]" 43 . 1 33 LYS C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -105.27 -25.27 -60.33 -57.58 -60.16 . . 0 "[ . 1]" 44 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 HIS N -91.84 8.16 -36.00 -46.05 -27.44 . . 0 "[ . 1]" 45 . 1 34 LYS C 1 35 HIS N 1 35 HIS CA 1 35 HIS C -103.71 -23.71 -68.25 -66.93 -67.58 . . 0 "[ . 1]" 46 . 1 35 HIS N 1 35 HIS CA 1 35 HIS C 1 36 ALA N -90.34 9.66 -46.95 -60.50 -39.09 . . 0 "[ . 1]" 47 . 1 35 HIS C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -105.89 -25.89 -61.70 -61.09 -61.61 . . 0 "[ . 1]" 48 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 SER N -73.59 26.41 -46.40 -41.25 -44.06 . . 0 "[ . 1]" 49 . 1 36 ALA C 1 37 SER N 1 37 SER CA 1 37 SER C -135.91 -55.91 -76.56 -94.17 -68.76 . . 0 "[ . 1]" 50 . 1 37 SER N 1 37 SER CA 1 37 SER C 1 38 GLY N -47.99 52.01 -30.34 -22.31 -29.04 0.70 10 0 "[ . 1]" 51 . 1 47 ARG C 1 48 GLY N 1 48 GLY CA 1 48 GLY C 116.74 -163.26 147.91 178.23 160.32 1.07 2 0 "[ . 1]" 52 . 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 PRO N 97.77 -162.23 -178.17 -161.72 -172.72 1.01 7 0 "[ . 1]" 53 . 1 49 PRO C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -159.58 -79.58 -114.08 -147.15 -78.31 1.27 4 0 "[ . 1]" 54 . 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 ARG N 96.49 -163.51 128.09 100.06 -175.53 . . 0 "[ . 1]" 55 . 1 50 PHE C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -173.15 -93.15 -113.61 -143.70 -92.91 0.24 1 0 "[ . 1]" 56 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 LEU N 89.63 -170.37 131.06 106.15 -179.87 . . 0 "[ . 1]" 57 . 1 51 ARG C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -124.67 -44.67 -79.24 -69.77 -72.24 0.22 7 0 "[ . 1]" 58 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 VAL N 72.52 172.52 119.62 119.68 116.31 . . 0 "[ . 1]" 59 . 1 54 ALA C 1 55 THR N 1 55 THR CA 1 55 THR C -178.50 -98.50 -145.63 -153.84 -133.88 . . 0 "[ . 1]" 60 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 TRP N 97.49 -162.51 126.31 128.18 127.98 . . 0 "[ . 1]" 61 . 1 55 THR C 1 56 TRP N 1 56 TRP CA 1 56 TRP C 179.57 -100.43 -115.55 -142.69 -99.23 1.20 4 0 "[ . 1]" 62 . 1 56 TRP N 1 56 TRP CA 1 56 TRP C 1 57 ALA N 92.29 -167.71 146.49 151.34 129.97 . . 0 "[ . 1]" 63 . 1 56 TRP C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -157.24 -77.24 -125.61 -146.80 -99.93 . . 0 "[ . 1]" 64 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 PHE N 93.88 -166.12 124.69 109.58 155.60 . . 0 "[ . 1]" 65 . 1 57 ALA C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -172.40 -92.40 -124.88 -117.10 -125.43 . . 0 "[ . 1]" 66 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 PRO N 91.41 -168.59 128.64 125.02 120.54 . . 0 "[ . 1]" 67 . 1 59 PRO C 1 60 SER N 1 60 SER CA 1 60 SER C -163.95 -83.95 -102.05 -89.78 -94.73 . . 0 "[ . 1]" 68 . 1 60 SER N 1 60 SER CA 1 60 SER C 1 61 LYS N 105.06 -154.94 129.14 118.66 138.63 . . 0 "[ . 1]" 69 . 1 60 SER C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -98.18 -18.18 -61.10 -61.18 -61.38 . . 0 "[ . 1]" 70 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 GLU N -88.38 11.62 -48.11 -54.51 -56.36 . . 0 "[ . 1]" 71 . 1 61 LYS C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -104.96 -24.96 -62.06 -66.35 -54.87 . . 0 "[ . 1]" 72 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 GLU N -90.91 9.09 -43.61 -33.20 -37.27 . . 0 "[ . 1]" 73 . 1 62 GLU C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -108.21 -28.21 -62.28 -68.52 -56.55 . . 0 "[ . 1]" 74 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 ALA N -92.56 7.44 -45.73 -58.04 -37.56 . . 0 "[ . 1]" 75 . 1 63 GLU C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -103.33 -23.33 -64.95 -70.22 -59.37 . . 0 "[ . 1]" 76 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 MET N -92.99 7.01 -41.40 -36.18 -41.30 . . 0 "[ . 1]" 77 . 1 64 ALA C 1 65 MET N 1 65 MET CA 1 65 MET C -101.51 -21.51 -65.90 -63.39 -64.74 . . 0 "[ . 1]" 78 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 ARG N -90.99 9.01 -45.29 -51.83 -40.99 . . 0 "[ . 1]" 79 . 1 65 MET C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -103.86 -23.86 -65.71 -60.46 -65.05 . . 0 "[ . 1]" 80 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 TRP N -89.59 10.41 -42.81 -51.02 -34.12 . . 0 "[ . 1]" 81 . 1 66 ARG C 1 67 TRP N 1 67 TRP CA 1 67 TRP C -104.40 -24.40 -57.19 -59.77 -63.57 . . 0 "[ . 1]" 82 . 1 67 TRP N 1 67 TRP CA 1 67 TRP C 1 68 GLU N -92.76 7.24 -55.82 -65.94 -48.29 . . 0 "[ . 1]" 83 . 1 67 TRP C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -101.09 -21.09 -56.21 -60.43 -48.62 . . 0 "[ . 1]" 84 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 TYR N -92.83 7.17 -50.17 -53.55 -54.70 . . 0 "[ . 1]" 85 . 1 68 GLU C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -101.18 -21.18 -56.38 -55.56 -56.37 . . 0 "[ . 1]" 86 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 GLU N -89.19 10.81 -44.23 -52.78 -31.19 . . 0 "[ . 1]" 87 . 1 69 TYR C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -107.00 -27.00 -65.28 -64.28 -69.33 . . 0 "[ . 1]" 88 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 VAL N -91.53 8.47 -46.06 -61.06 -34.48 . . 0 "[ . 1]" 89 . 1 70 GLU C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -105.72 -25.72 -62.32 -63.58 -70.12 . . 0 "[ . 1]" 90 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 LYS N -93.15 6.85 -35.68 -43.43 -24.40 . . 0 "[ . 1]" 91 . 1 71 VAL C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -101.33 -21.33 -63.88 -58.40 -61.98 . . 0 "[ . 1]" 92 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 HIS N -89.40 10.60 -35.01 -47.26 -14.47 . . 0 "[ . 1]" 93 . 1 74 LEU C 1 75 SER N 1 75 SER CA 1 75 SER C -134.14 -54.14 -79.89 -75.72 -76.51 13.65 6 1 "[ .+ 1]" 94 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 ARG N 100.76 -159.24 168.70 153.13 -174.57 . . 0 "[ . 1]" 95 . 1 75 SER C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -97.01 -17.01 -52.68 -56.73 -57.87 . . 0 "[ . 1]" 96 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 ARG N -88.04 11.96 -41.36 -36.43 -42.42 . . 0 "[ . 1]" 97 . 1 76 ARG C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -103.42 -23.42 -64.13 -70.72 -58.47 . . 0 "[ . 1]" 98 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 LYS N -90.28 9.72 -36.82 -42.38 -42.40 . . 0 "[ . 1]" 99 . 1 77 ARG C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -102.73 -22.73 -74.34 -67.11 -71.05 . . 0 "[ . 1]" 100 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 LYS N -92.64 7.36 -34.59 -41.98 -27.86 . . 0 "[ . 1]" 101 . 1 78 LYS C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -107.10 -27.10 -66.82 -75.98 -61.96 . . 0 "[ . 1]" 102 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 GLU N -89.89 10.11 -39.16 -45.33 -31.61 . . 0 "[ . 1]" 103 . 1 79 LYS C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -105.63 -25.63 -66.12 -69.08 -64.62 . . 0 "[ . 1]" 104 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 GLN N -91.20 8.80 -39.09 -39.76 -41.92 . . 0 "[ . 1]" 105 . 1 80 GLU C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -107.24 -27.24 -61.92 -74.12 -52.83 . . 0 "[ . 1]" 106 . 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 LEU N -92.89 7.11 -41.56 -50.42 -36.50 . . 0 "[ . 1]" 107 . 1 81 GLN C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -101.26 -21.26 -61.70 -69.86 -54.04 . . 0 "[ . 1]" 108 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 VAL N -90.19 9.81 -38.09 -27.36 -32.09 . . 0 "[ . 1]" 109 . 1 82 LEU C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -106.73 -26.73 -74.87 -85.50 -68.95 . . 0 "[ . 1]" 110 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 SER N -93.83 6.17 -30.19 -4.28 -18.16 . . 0 "[ . 1]" 111 . 1 83 VAL C 1 84 SER N 1 84 SER CA 1 84 SER C -102.31 -22.31 -68.52 -76.75 -57.06 . . 0 "[ . 1]" 112 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 LEU N -86.96 13.04 -17.59 4.41 -5.95 . . 0 "[ . 1]" 113 . 1 84 SER C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -110.86 -30.86 -85.64 -109.64 -67.43 . . 0 "[ . 1]" 114 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 LYS N -77.80 22.20 -11.69 14.43 -0.97 . . 0 "[ . 1]" 115 . 1 87 GLY C 1 88 GLY N 1 88 GLY CA 1 88 GLY C -20.41 59.59 45.92 45.18 -24.18 5.59 1 2 "[+ . - 1]" 116 . 1 88 GLY N 1 88 GLY CA 1 88 GLY C 1 89 PRO N 147.35 -112.65 -163.30 -147.58 178.17 3.98 9 0 "[ . 1]" stop_ save_
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