NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
581211 | 2mnu | 19906 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mnu save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 225 _TA_constraint_stats_list.Viol_count 477 _TA_constraint_stats_list.Viol_total 13051.25 _TA_constraint_stats_list.Viol_max 8.05 _TA_constraint_stats_list.Viol_rms 0.56 _TA_constraint_stats_list.Viol_average_all_restraints 0.15 _TA_constraint_stats_list.Viol_average_violations_only 1.37 _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 GLU N 1 3 GLU CA 1 3 GLU C -130.00 -50.00 -88.16 -129.68 -52.03 . . 0 "[ . 1 . 2]" 2 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 VAL N 60.00 180.00 124.61 115.85 100.01 0.35 20 0 "[ . 1 . 2]" 3 . 1 3 GLU C 1 4 VAL N 1 4 VAL CA 1 4 VAL C -145.20 -54.60 -115.87 -90.29 -114.72 0.80 1 0 "[ . 1 . 2]" 4 . 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 PRO N 75.70 -153.30 112.08 148.48 127.63 1.21 1 0 "[ . 1 . 2]" 5 . 1 4 VAL C 1 5 PRO N 1 5 PRO CA 1 5 PRO C -130.00 -50.00 -64.09 -69.09 -75.54 . . 0 "[ . 1 . 2]" 6 . 1 5 PRO N 1 5 PRO CA 1 5 PRO C 1 6 GLN N 60.00 180.00 135.83 126.01 118.63 . . 0 "[ . 1 . 2]" 7 . 1 6 GLN C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -130.00 -50.00 -93.42 -121.11 -57.33 . . 0 "[ . 1 . 2]" 8 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 THR N 50.00 130.00 120.68 127.25 127.15 0.64 17 0 "[ . 1 . 2]" 9 . 1 7 LEU C 1 8 THR N 1 8 THR CA 1 8 THR C -130.00 -50.00 -100.46 -84.93 -87.64 0.97 16 0 "[ . 1 . 2]" 10 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 ASP N 60.00 180.00 152.58 154.77 149.44 . . 0 "[ . 1 . 2]" 11 . 1 8 THR C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -140.00 -80.00 -108.87 -140.28 -79.77 0.28 19 0 "[ . 1 . 2]" 12 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 LEU N 90.00 170.00 153.43 153.07 150.49 1.16 16 0 "[ . 1 . 2]" 13 . 1 9 ASP C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -105.50 -65.50 -66.12 -75.84 -60.85 4.65 16 0 "[ . 1 . 2]" 14 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 SER N 111.70 151.70 145.41 134.96 154.07 2.37 3 0 "[ . 1 . 2]" 15 . 1 10 LEU C 1 11 SER N 1 11 SER CA 1 11 SER C -152.50 -53.70 -140.98 -141.99 -142.55 . . 0 "[ . 1 . 2]" 16 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 PHE N 138.30 -169.70 153.76 144.55 162.32 . . 0 "[ . 1 . 2]" 17 . 1 11 SER C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -110.00 -55.20 -111.12 -111.54 -111.77 2.64 7 0 "[ . 1 . 2]" 18 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 VAL N 100.40 -179.40 146.25 144.12 143.77 . . 0 "[ . 1 . 2]" 19 . 1 12 PHE C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -177.50 -65.70 -145.68 -149.17 -141.27 . . 0 "[ . 1 . 2]" 20 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 ASP N 142.40 -171.80 159.22 151.50 164.29 . . 0 "[ . 1 . 2]" 21 . 1 13 VAL C 1 14 ASP N 1 14 ASP CA 1 14 ASP C 33.20 73.20 55.43 50.37 47.76 . . 0 "[ . 1 . 2]" 22 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 ILE N 24.50 64.50 35.80 26.97 61.60 . . 0 "[ . 1 . 2]" 23 . 1 14 ASP C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -97.00 -57.00 -61.01 -83.51 -85.61 1.40 20 0 "[ . 1 . 2]" 24 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 THR N 116.20 156.20 136.10 130.50 141.11 . . 0 "[ . 1 . 2]" 25 . 1 15 ILE C 1 16 THR N 1 16 THR CA 1 16 THR C -160.00 -80.00 -136.37 -131.17 -131.72 . . 0 "[ . 1 . 2]" 26 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 ASP N 110.00 -170.00 -168.07 -167.73 -168.11 3.74 19 0 "[ . 1 . 2]" 27 . 1 16 THR C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -90.00 -50.00 -85.33 -78.72 -84.94 1.87 19 0 "[ . 1 . 2]" 28 . 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 SER N -60.00 0.00 -45.78 -53.24 -41.45 . . 0 "[ . 1 . 2]" 29 . 1 17 ASP C 1 18 SER N 1 18 SER CA 1 18 SER C -120.00 -80.00 -117.81 -122.36 -112.69 2.36 7 0 "[ . 1 . 2]" 30 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 SER N -40.00 40.00 10.26 12.56 9.77 . . 0 "[ . 1 . 2]" 31 . 1 19 SER C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -151.80 -111.80 -136.80 -132.42 -136.76 . . 0 "[ . 1 . 2]" 32 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 GLY N 132.50 172.50 144.97 140.67 149.16 . . 0 "[ . 1 . 2]" 33 . 1 21 GLY C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -110.00 -50.00 -67.12 -63.78 -65.26 . . 0 "[ . 1 . 2]" 34 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 ARG N 105.20 156.60 125.70 138.53 130.65 . . 0 "[ . 1 . 2]" 35 . 1 22 LEU C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -156.90 -102.70 -142.02 -157.40 -136.00 0.50 6 0 "[ . 1 . 2]" 36 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 TRP N 134.90 174.90 137.70 132.50 144.47 2.40 7 0 "[ . 1 . 2]" 37 . 1 23 ARG C 1 24 TRP N 1 24 TRP CA 1 24 TRP C -146.10 -62.30 -143.87 -147.82 -139.21 1.72 10 0 "[ . 1 . 2]" 38 . 1 24 TRP N 1 24 TRP CA 1 24 TRP C 1 25 THR N 102.70 162.70 152.68 156.04 155.79 . . 0 "[ . 1 . 2]" 39 . 1 24 TRP C 1 25 THR N 1 25 THR CA 1 25 THR C -110.00 -70.00 -102.65 -105.50 -107.71 3.51 18 0 "[ . 1 . 2]" 40 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 PRO N 90.20 130.20 103.07 103.18 102.35 . . 0 "[ . 1 . 2]" 41 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 LEU N 110.00 150.00 149.23 152.39 150.84 4.55 7 0 "[ . 1 . 2]" 42 . 1 26 PRO C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -120.00 -80.00 -90.77 -110.41 -78.91 1.09 8 0 "[ . 1 . 2]" 43 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 ASN N 105.00 145.00 137.26 132.03 144.24 . . 0 "[ . 1 . 2]" 44 . 1 28 ASN C 1 29 SER N 1 29 SER CA 1 29 SER C -90.00 -30.00 -82.57 -89.83 -75.75 . . 0 "[ . 1 . 2]" 45 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 SER N -60.00 -20.00 -32.64 -30.90 -32.58 . . 0 "[ . 1 . 2]" 46 . 1 30 SER N 1 30 SER CA 1 30 SER C 1 31 THR N 110.00 150.00 126.38 111.32 137.70 . . 0 "[ . 1 . 2]" 47 . 1 30 SER C 1 31 THR N 1 31 THR CA 1 31 THR C -105.00 -55.00 -57.91 -52.90 -54.37 4.06 18 0 "[ . 1 . 2]" 48 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 ILE N 135.00 -175.00 144.37 143.54 143.10 . . 0 "[ . 1 . 2]" 49 . 1 31 THR C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -145.00 -95.00 -94.03 -92.45 -92.88 2.92 2 0 "[ . 1 . 2]" 50 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 ILE N 75.00 125.00 92.40 90.17 89.24 . . 0 "[ . 1 . 2]" 51 . 1 32 ILE C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -175.00 -125.00 -144.00 -151.23 -134.25 . . 0 "[ . 1 . 2]" 52 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 GLY N 105.00 155.00 134.85 124.84 155.78 0.78 6 0 "[ . 1 . 2]" 53 . 1 34 GLY C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -140.00 -80.00 -93.49 -91.54 -95.80 1.21 6 0 "[ . 1 . 2]" 54 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 ARG N 120.00 180.00 161.65 174.62 160.44 0.10 16 0 "[ . 1 . 2]" 55 . 1 35 TYR C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -143.20 -77.80 -117.62 -137.26 -76.40 1.40 5 0 "[ . 1 . 2]" 56 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 ILE N 95.80 152.80 126.11 119.84 133.87 . . 0 "[ . 1 . 2]" 57 . 1 36 ARG C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -136.30 -96.30 -98.94 -107.08 -93.67 2.63 11 0 "[ . 1 . 2]" 58 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 THR N 105.60 155.60 127.00 118.00 155.33 . . 0 "[ . 1 . 2]" 59 . 1 37 ILE C 1 38 THR N 1 38 THR CA 1 38 THR C -164.50 -95.90 -108.09 -104.07 -104.95 . . 0 "[ . 1 . 2]" 60 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 VAL N 100.30 178.10 133.42 138.94 136.52 . . 0 "[ . 1 . 2]" 61 . 1 38 THR C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -134.40 -94.40 -131.33 -130.89 -132.01 0.16 9 0 "[ . 1 . 2]" 62 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 VAL N 109.20 149.20 139.63 134.12 144.12 . . 0 "[ . 1 . 2]" 63 . 1 39 VAL C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -148.50 -98.10 -132.32 -132.21 -132.45 . . 0 "[ . 1 . 2]" 64 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 ALA N 103.80 163.20 131.69 132.48 131.88 . . 0 "[ . 1 . 2]" 65 . 1 40 VAL C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -131.40 -42.80 -97.01 -98.55 -98.98 . . 0 "[ . 1 . 2]" 66 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 ALA N 110.00 170.00 137.34 128.99 142.47 . . 0 "[ . 1 . 2]" 67 . 1 41 ALA C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -100.00 -40.00 -94.26 -99.02 -100.29 1.06 1 0 "[ . 1 . 2]" 68 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 GLY N -70.00 -10.00 -31.18 -19.25 -21.21 . . 0 "[ . 1 . 2]" 69 . 1 42 ALA C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -100.00 -40.00 -81.32 -99.86 -61.64 . . 0 "[ . 1 . 2]" 70 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 GLU N -30.00 30.00 3.67 -32.64 31.06 2.64 8 0 "[ . 1 . 2]" 71 . 1 43 GLY C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -160.00 -100.00 -125.84 -146.78 -150.98 4.43 15 0 "[ . 1 . 2]" 72 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 GLY N 90.00 150.00 142.03 126.53 150.80 0.80 16 0 "[ . 1 . 2]" 73 . 1 44 GLU C 1 45 GLY N 1 45 GLY CA 1 45 GLY C -120.00 -60.00 -65.78 -68.40 -68.87 1.82 15 0 "[ . 1 . 2]" 74 . 1 45 GLY N 1 45 GLY CA 1 45 GLY C 1 46 ILE N -20.00 40.00 -18.76 -22.00 -6.92 2.00 9 0 "[ . 1 . 2]" 75 . 1 45 GLY C 1 46 ILE N 1 46 ILE CA 1 46 ILE C -140.00 -80.00 -127.75 -138.34 -110.16 . . 0 "[ . 1 . 2]" 76 . 1 46 ILE N 1 46 ILE CA 1 46 ILE C 1 47 PRO N 100.00 160.00 137.97 140.06 139.73 . . 0 "[ . 1 . 2]" 77 . 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 ILE N 127.50 168.50 163.37 161.84 160.63 1.25 4 0 "[ . 1 . 2]" 78 . 1 47 PRO C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -110.00 -50.00 -81.13 -96.43 -71.53 . . 0 "[ . 1 . 2]" 79 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 PHE N 100.00 160.00 147.97 158.60 155.01 0.42 7 0 "[ . 1 . 2]" 80 . 1 49 PHE C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -110.00 -50.00 -72.92 -65.77 -68.26 . . 0 "[ . 1 . 2]" 81 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 ASP N 115.00 -175.00 168.73 -176.15 -176.84 . . 0 "[ . 1 . 2]" 82 . 1 50 GLU C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -171.30 -92.30 -133.88 -144.33 -145.59 . . 0 "[ . 1 . 2]" 83 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 PHE N 129.40 169.80 146.27 132.57 162.91 . . 0 "[ . 1 . 2]" 84 . 1 51 ASP C 1 52 PHE N 1 52 PHE CA 1 52 PHE C -143.10 -97.90 -114.10 -111.03 -111.33 . . 0 "[ . 1 . 2]" 85 . 1 52 PHE N 1 52 PHE CA 1 52 PHE C 1 53 VAL N 108.90 148.90 123.15 116.42 130.85 . . 0 "[ . 1 . 2]" 86 . 1 52 PHE C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -145.50 -95.90 -128.99 -132.06 -125.64 . . 0 "[ . 1 . 2]" 87 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 ASP N 102.30 -179.50 139.24 142.22 141.29 . . 0 "[ . 1 . 2]" 88 . 1 53 VAL C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -137.00 -31.00 -60.44 -67.63 -53.41 . . 0 "[ . 1 . 2]" 89 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 SER N 100.30 -179.90 146.36 138.46 158.12 . . 0 "[ . 1 . 2]" 90 . 1 54 ASP C 1 55 SER N 1 55 SER CA 1 55 SER C -107.70 -25.90 -62.13 -64.99 -65.92 . . 0 "[ . 1 . 2]" 91 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 SER N -63.60 11.20 -33.43 -35.81 -37.01 . . 0 "[ . 1 . 2]" 92 . 1 55 SER C 1 56 SER N 1 56 SER CA 1 56 SER C -82.50 -42.50 -54.28 -57.11 -50.89 . . 0 "[ . 1 . 2]" 93 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 VAL N -62.10 -22.10 -35.40 -40.59 -31.88 . . 0 "[ . 1 . 2]" 94 . 1 56 SER C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -90.20 -45.00 -66.26 -69.68 -79.86 1.58 1 0 "[ . 1 . 2]" 95 . 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 TYR N -44.40 25.40 5.01 -43.94 28.39 2.99 20 0 "[ . 1 . 2]" 96 . 1 58 GLY C 1 59 TYR N 1 59 TYR CA 1 59 TYR C -169.10 -103.30 -148.32 -115.99 -122.57 3.17 5 0 "[ . 1 . 2]" 97 . 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 TYR N 96.70 156.70 153.88 155.48 154.19 4.31 7 0 "[ . 1 . 2]" 98 . 1 59 TYR C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -170.00 -110.00 -156.48 -155.68 -155.78 . . 0 "[ . 1 . 2]" 99 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 THR N 110.00 170.00 157.41 158.25 156.79 . . 0 "[ . 1 . 2]" 100 . 1 60 TYR C 1 61 THR N 1 61 THR CA 1 61 THR C -130.00 -90.00 -121.64 -131.15 -108.74 1.15 8 0 "[ . 1 . 2]" 101 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 VAL N 100.00 140.00 134.81 131.47 139.17 . . 0 "[ . 1 . 2]" 102 . 1 61 THR C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -130.00 -50.00 -131.82 -131.46 -131.81 4.27 7 0 "[ . 1 . 2]" 103 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 THR N 100.00 160.00 106.33 99.68 124.90 0.32 9 0 "[ . 1 . 2]" 104 . 1 62 VAL C 1 63 THR N 1 63 THR CA 1 63 THR C -156.30 -74.30 -117.02 -120.89 -122.26 . . 0 "[ . 1 . 2]" 105 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 GLY N 144.40 -175.00 161.25 155.06 167.37 . . 0 "[ . 1 . 2]" 106 . 1 63 THR C 1 64 GLY N 1 64 GLY CA 1 64 GLY C 2.30 112.30 108.76 106.38 112.86 0.56 1 0 "[ . 1 . 2]" 107 . 1 64 GLY N 1 64 GLY CA 1 64 GLY C 1 65 LEU N -2.50 71.10 26.68 23.53 9.79 . . 0 "[ . 1 . 2]" 108 . 1 64 GLY C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -127.40 -59.40 -100.45 -116.79 -75.48 . . 0 "[ . 1 . 2]" 109 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 GLU N 97.50 177.50 110.12 99.31 178.94 1.44 1 0 "[ . 1 . 2]" 110 . 1 65 LEU C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -155.60 -46.20 -54.49 -60.11 -128.04 . . 0 "[ . 1 . 2]" 111 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 PRO N 43.10 176.30 137.86 135.18 141.34 . . 0 "[ . 1 . 2]" 112 . 1 67 PRO C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 40.80 104.80 70.30 46.70 76.58 . . 0 "[ . 1 . 2]" 113 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 ILE N -33.20 73.20 5.31 -8.74 27.55 . . 0 "[ . 1 . 2]" 114 . 1 68 GLY C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -125.60 -65.20 -111.63 -103.88 -109.50 . . 0 "[ . 1 . 2]" 115 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 ASP N 92.90 -179.70 146.93 142.60 141.26 . . 0 "[ . 1 . 2]" 116 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 TYR N 100.00 140.00 113.23 115.61 114.18 . . 0 "[ . 1 . 2]" 117 . 1 70 ASP C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -147.60 -54.60 -108.33 -114.94 -104.30 . . 0 "[ . 1 . 2]" 118 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 ASP N 109.00 169.40 120.58 120.19 120.01 . . 0 "[ . 1 . 2]" 119 . 1 71 TYR C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -158.00 -56.40 -89.33 -94.32 -86.97 . . 0 "[ . 1 . 2]" 120 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 ILE N 100.50 149.90 117.31 110.78 119.83 . . 0 "[ . 1 . 2]" 121 . 1 72 ASP C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -125.00 -55.00 -116.63 -126.39 -112.35 1.39 7 0 "[ . 1 . 2]" 122 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 SER N 120.00 180.00 162.99 165.20 164.43 8.05 7 1 "[ . + 1 . 2]" 123 . 1 73 ILE C 1 74 SER N 1 74 SER CA 1 74 SER C -155.00 -85.00 -152.44 -153.53 -154.04 1.13 17 0 "[ . 1 . 2]" 124 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 VAL N 105.30 151.10 131.29 148.85 128.88 1.31 17 0 "[ . 1 . 2]" 125 . 1 74 SER C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -132.20 -82.80 -109.13 -132.90 -88.71 0.70 15 0 "[ . 1 . 2]" 126 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ILE N 101.70 153.70 107.67 127.35 109.70 2.18 7 0 "[ . 1 . 2]" 127 . 1 75 VAL C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -153.00 -75.80 -96.95 -128.17 -82.52 . . 0 "[ . 1 . 2]" 128 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 THR N 95.90 166.50 126.22 101.13 140.90 . . 0 "[ . 1 . 2]" 129 . 1 76 ILE C 1 77 THR N 1 77 THR CA 1 77 THR C -129.20 -52.40 -105.75 -103.48 -105.26 . . 0 "[ . 1 . 2]" 130 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 LEU N 106.80 146.80 113.08 109.02 107.54 0.91 15 0 "[ . 1 . 2]" 131 . 1 77 THR C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -120.20 -76.60 -117.56 -122.66 -104.22 2.46 18 0 "[ . 1 . 2]" 132 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 ILE N 90.10 139.90 118.74 116.80 115.46 . . 0 "[ . 1 . 2]" 133 . 1 78 LEU C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -145.70 -98.10 -142.60 -138.25 -139.37 1.77 14 0 "[ . 1 . 2]" 134 . 1 79 ILE C 1 80 ASN N 1 80 ASN CA 1 80 ASN C -88.80 -28.80 -63.99 -66.77 -68.23 . . 0 "[ . 1 . 2]" 135 . 1 80 ASN N 1 80 ASN CA 1 80 ASN C 1 81 GLY N -90.00 -30.00 -52.19 -44.17 -47.45 . . 0 "[ . 1 . 2]" 136 . 1 81 GLY C 1 82 GLY N 1 82 GLY CA 1 82 GLY C -117.00 -37.00 -76.17 -97.01 -46.29 . . 0 "[ . 1 . 2]" 137 . 1 82 GLY N 1 82 GLY CA 1 82 GLY C 1 83 GLU N 106.10 -172.10 154.14 -179.45 177.36 0.59 7 0 "[ . 1 . 2]" 138 . 1 82 GLY C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -100.00 -20.00 -74.37 -98.97 -49.63 . . 0 "[ . 1 . 2]" 139 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 SER N 84.10 165.90 137.28 147.63 141.10 0.31 3 0 "[ . 1 . 2]" 140 . 1 83 GLU C 1 84 SER N 1 84 SER CA 1 84 SER C -97.00 -17.00 -71.22 -67.38 -70.82 . . 0 "[ . 1 . 2]" 141 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 ALA N 107.10 -171.10 144.88 108.47 168.47 . . 0 "[ . 1 . 2]" 142 . 1 86 PRO C 1 87 THR N 1 87 THR CA 1 87 THR C -142.00 -62.00 -111.51 -130.65 -134.19 0.19 10 0 "[ . 1 . 2]" 143 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 THR N 86.10 167.90 137.78 127.83 125.33 . . 0 "[ . 1 . 2]" 144 . 1 87 THR C 1 88 THR N 1 88 THR CA 1 88 THR C -167.00 -87.00 -125.49 -87.51 -114.22 1.09 16 0 "[ . 1 . 2]" 145 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 LEU N 102.10 -176.10 155.30 121.54 -175.42 0.68 16 0 "[ . 1 . 2]" 146 . 1 88 THR C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -102.00 -22.00 -80.85 -58.00 -73.31 1.21 5 0 "[ . 1 . 2]" 147 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 THR N 97.10 178.90 138.37 174.11 156.83 . . 0 "[ . 1 . 2]" 148 . 1 89 LEU C 1 90 THR N 1 90 THR CA 1 90 THR C -95.00 -15.00 -77.35 -42.20 -64.80 1.48 3 0 "[ . 1 . 2]" 149 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 GLN N 96.10 177.90 148.67 136.67 135.35 . . 0 "[ . 1 . 2]" 150 . 1 90 THR C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -103.00 -23.00 -74.33 -65.31 -69.62 . . 0 "[ . 1 . 2]" 151 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 GLN N 90.10 171.90 128.77 136.60 134.47 . . 0 "[ . 1 . 2]" 152 . 1 92 GLN C 1 93 THR N 1 93 THR CA 1 93 THR C -150.10 -66.10 -88.94 -81.20 -89.46 0.75 11 0 "[ . 1 . 2]" 153 . 2 1 SER N 2 1 SER CA 2 1 SER C 2 2 SER N 120.00 160.00 137.80 149.77 146.52 . . 0 "[ . 1 . 2]" 154 . 2 1 SER C 2 2 SER N 2 2 SER CA 2 2 SER C -80.00 -40.00 -70.27 -66.99 -68.01 . . 0 "[ . 1 . 2]" 155 . 2 2 SER N 2 2 SER CA 2 2 SER C 2 3 SER N 120.00 160.00 145.93 141.11 139.33 . . 0 "[ . 1 . 2]" 156 . 2 2 SER C 2 3 SER N 2 3 SER CA 2 3 SER C -135.00 -85.00 -110.22 -131.92 -88.89 . . 0 "[ . 1 . 2]" 157 . 2 3 SER N 2 3 SER CA 2 3 SER C 2 4 PRO N 105.00 155.00 136.24 101.66 152.59 3.34 6 0 "[ . 1 . 2]" 158 . 2 4 PRO C 2 5 ILE N 2 5 ILE CA 2 5 ILE C -155.00 -105.00 -147.43 -150.33 -150.77 2.50 4 0 "[ . 1 . 2]" 159 . 2 5 ILE N 2 5 ILE CA 2 5 ILE C 2 6 GLN N 140.00 180.00 148.25 141.58 162.42 . . 0 "[ . 1 . 2]" 160 . 2 5 ILE C 2 6 GLN N 2 6 GLN CA 2 6 GLN C 170.00 -110.00 -154.03 -138.54 -141.06 . . 0 "[ . 1 . 2]" 161 . 2 6 GLN N 2 6 GLN CA 2 6 GLN C 2 7 GLY N 80.00 160.00 117.16 75.55 145.28 4.45 5 0 "[ . 1 . 2]" 162 . 2 6 GLN C 2 7 GLY N 2 7 GLY CA 2 7 GLY C -110.00 -70.00 -106.02 -100.87 -102.39 1.42 19 0 "[ . 1 . 2]" 163 . 2 7 GLY N 2 7 GLY CA 2 7 GLY C 2 8 SER N -160.00 -120.00 -138.04 -159.90 -125.66 . . 0 "[ . 1 . 2]" 164 . 2 7 GLY C 2 8 SER N 2 8 SER CA 2 8 SER C -180.00 -120.00 -165.44 -165.37 -165.66 . . 0 "[ . 1 . 2]" 165 . 2 8 SER N 2 8 SER CA 2 8 SER C 2 9 TRP N 110.00 170.00 170.75 166.16 172.96 2.96 10 0 "[ . 1 . 2]" 166 . 2 8 SER C 2 9 TRP N 2 9 TRP CA 2 9 TRP C -110.00 -70.00 -86.54 -92.74 -81.43 . . 0 "[ . 1 . 2]" 167 . 2 9 TRP N 2 9 TRP CA 2 9 TRP C 2 10 THR N 101.50 158.30 144.74 149.32 147.60 . . 0 "[ . 1 . 2]" 168 . 2 9 TRP C 2 10 THR N 2 10 THR CA 2 10 THR C -144.10 -82.30 -124.10 -135.04 -108.94 . . 0 "[ . 1 . 2]" 169 . 2 10 THR N 2 10 THR CA 2 10 THR C 2 11 TRP N 130.00 170.00 132.54 128.78 140.69 1.22 6 0 "[ . 1 . 2]" 170 . 2 10 THR C 2 11 TRP N 2 11 TRP CA 2 11 TRP C -121.10 -75.70 -93.12 -93.73 -94.93 . . 0 "[ . 1 . 2]" 171 . 2 11 TRP N 2 11 TRP CA 2 11 TRP C 2 12 GLU N 105.00 152.80 114.85 109.62 118.58 . . 0 "[ . 1 . 2]" 172 . 2 11 TRP C 2 12 GLU N 2 12 GLU CA 2 12 GLU C -165.00 -115.00 -163.58 -162.78 -163.46 1.09 9 0 "[ . 1 . 2]" 173 . 2 12 GLU N 2 12 GLU CA 2 12 GLU C 2 13 ASN N 93.80 173.80 166.58 165.80 164.57 . . 0 "[ . 1 . 2]" 174 . 2 12 GLU C 2 13 ASN N 2 13 ASN CA 2 13 ASN C 20.00 60.00 50.75 48.07 59.68 . . 0 "[ . 1 . 2]" 175 . 2 13 ASN N 2 13 ASN CA 2 13 ASN C 2 14 GLY N 30.00 70.00 35.88 30.09 42.20 . . 0 "[ . 1 . 2]" 176 . 2 13 ASN C 2 14 GLY N 2 14 GLY CA 2 14 GLY C 50.10 101.30 53.04 64.04 55.21 0.49 9 0 "[ . 1 . 2]" 177 . 2 14 GLY N 2 14 GLY CA 2 14 GLY C 2 15 LYS N -24.60 36.80 13.05 -13.13 21.68 . . 0 "[ . 1 . 2]" 178 . 2 14 GLY C 2 15 LYS N 2 15 LYS CA 2 15 LYS C -160.00 -120.00 -141.83 -126.05 -140.91 . . 0 "[ . 1 . 2]" 179 . 2 15 LYS N 2 15 LYS CA 2 15 LYS C 2 16 TRP N 150.00 -170.00 151.16 156.25 153.73 0.67 20 0 "[ . 1 . 2]" 180 . 2 15 LYS C 2 16 TRP N 2 16 TRP CA 2 16 TRP C -126.00 -86.00 -87.03 -89.49 -92.17 1.27 20 0 "[ . 1 . 2]" 181 . 2 16 TRP N 2 16 TRP CA 2 16 TRP C 2 17 THR N 115.00 155.00 119.40 122.31 120.95 1.29 7 0 "[ . 1 . 2]" 182 . 2 16 TRP C 2 17 THR N 2 17 THR CA 2 17 THR C -140.00 -100.00 -127.87 -127.50 -128.50 . . 0 "[ . 1 . 2]" 183 . 2 17 THR N 2 17 THR CA 2 17 THR C 2 18 TRP N 130.00 170.00 140.59 133.03 148.10 . . 0 "[ . 1 . 2]" 184 . 2 17 THR C 2 18 TRP N 2 18 TRP CA 2 18 TRP C -105.00 -65.00 -103.88 -106.45 -95.88 1.45 11 0 "[ . 1 . 2]" 185 . 2 18 TRP N 2 18 TRP CA 2 18 TRP C 2 19 LYS N 80.00 120.00 114.82 104.00 121.66 1.66 15 0 "[ . 1 . 2]" 186 . 2 18 TRP C 2 19 LYS N 2 19 LYS CA 2 19 LYS C -170.00 -130.00 -139.25 -136.56 -141.15 . . 0 "[ . 1 . 2]" 187 . 2 19 LYS N 2 19 LYS CA 2 19 LYS C 2 20 GLY N 140.00 180.00 169.58 168.77 167.80 . . 0 "[ . 1 . 2]" 188 . 2 19 LYS C 2 20 GLY N 2 20 GLY CA 2 20 GLY C 140.00 180.00 -176.92 -179.53 -174.83 5.17 15 1 "[ . 1 + 2]" 189 . 2 20 GLY N 2 20 GLY CA 2 20 GLY C 2 21 ILE N -160.00 -120.00 -161.62 -163.35 -160.21 3.35 7 0 "[ . 1 . 2]" 190 . 2 20 GLY C 2 21 ILE N 2 21 ILE CA 2 21 ILE C -110.00 -50.00 -53.41 -58.75 -50.35 . . 0 "[ . 1 . 2]" 191 . 2 21 ILE N 2 21 ILE CA 2 21 ILE C 2 22 ILE N -75.00 15.00 -74.08 -74.20 -74.74 3.71 5 0 "[ . 1 . 2]" 192 . 2 21 ILE C 2 22 ILE N 2 22 ILE CA 2 22 ILE C -160.00 -80.00 -159.94 -160.87 -158.80 0.87 17 0 "[ . 1 . 2]" 193 . 2 22 ILE N 2 22 ILE CA 2 22 ILE C 2 23 ARG N 85.00 -165.00 -165.71 -165.89 -166.24 2.16 5 0 "[ . 1 . 2]" 194 . 2 22 ILE C 2 23 ARG N 2 23 ARG CA 2 23 ARG C -90.00 -30.00 -42.93 -46.12 -40.24 . . 0 "[ . 1 . 2]" 195 . 2 23 ARG N 2 23 ARG CA 2 23 ARG C 2 24 LEU N 85.00 175.00 174.26 171.54 178.32 3.32 8 0 "[ . 1 . 2]" 196 . 2 23 ARG C 2 24 LEU N 2 24 LEU CA 2 24 LEU C -120.00 -60.00 -61.74 -68.37 -58.55 1.45 16 0 "[ . 1 . 2]" 197 . 2 24 LEU N 2 24 LEU CA 2 24 LEU C 2 25 GLU N 110.00 150.00 120.75 107.20 147.80 2.80 7 0 "[ . 1 . 2]" 198 . 2 24 LEU C 2 25 GLU N 2 25 GLU CA 2 25 GLU C -120.00 -80.00 -91.92 -115.97 -78.17 1.83 16 0 "[ . 1 . 2]" 199 . 2 25 GLU N 2 25 GLU CA 2 25 GLU C 2 26 GLN N 120.00 160.00 148.29 148.28 145.88 . . 0 "[ . 1 . 2]" 200 . 1 12 PHE N 1 12 PHE CA 1 12 PHE CB 1 12 PHE CG -80.00 -40.00 -53.69 -53.44 -53.67 1.25 7 0 "[ . 1 . 2]" 201 . 1 15 ILE N 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 -80.00 -40.00 -67.41 -63.79 -65.76 . . 0 "[ . 1 . 2]" 202 . 1 20 ILE N 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 40.00 80.00 59.15 59.63 59.25 . . 0 "[ . 1 . 2]" 203 . 1 24 TRP N 1 24 TRP CA 1 24 TRP CB 1 24 TRP CG 40.00 80.00 64.63 68.03 64.90 4.41 12 0 "[ . 1 . 2]" 204 . 1 32 ILE N 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 -80.00 -40.00 -49.91 -50.51 -50.70 . . 0 "[ . 1 . 2]" 205 . 1 33 ILE N 1 33 ILE CA 1 33 ILE CB 1 33 ILE CG1 40.00 80.00 53.59 51.61 50.52 . . 0 "[ . 1 . 2]" 206 . 1 36 ARG N 1 36 ARG CA 1 36 ARG CB 1 36 ARG CG 160.00 -160.00 175.54 177.18 176.79 . . 0 "[ . 1 . 2]" 207 . 1 52 PHE N 1 52 PHE CA 1 52 PHE CB 1 52 PHE CG -80.00 -40.00 -56.50 -69.12 -41.81 . . 0 "[ . 1 . 2]" 208 . 1 70 ASP N 1 70 ASP CA 1 70 ASP CB 1 70 ASP CG 150.00 -150.00 170.72 168.49 175.03 . . 0 "[ . 1 . 2]" 209 . 1 71 TYR N 1 71 TYR CA 1 71 TYR CB 1 71 TYR CG -90.00 -30.00 -88.85 -87.79 -88.45 4.17 15 0 "[ . 1 . 2]" 210 . 1 76 ILE N 1 76 ILE CA 1 76 ILE CB 1 76 ILE CG1 -80.00 -40.00 -63.20 -64.87 -64.97 . . 0 "[ . 1 . 2]" 211 . 2 5 ILE N 2 5 ILE CA 2 5 ILE CB 2 5 ILE CG1 160.00 -160.00 173.34 160.21 -164.30 . . 0 "[ . 1 . 2]" 212 . 2 9 TRP N 2 9 TRP CA 2 9 TRP CB 2 9 TRP CG -80.00 -40.00 -74.47 -78.99 -81.28 1.52 9 0 "[ . 1 . 2]" 213 . 2 10 THR N 2 10 THR CA 2 10 THR CB 2 10 THR OG1 40.00 80.00 60.87 53.72 69.37 . . 0 "[ . 1 . 2]" 214 . 2 11 TRP N 2 11 TRP CA 2 11 TRP CB 2 11 TRP CG 160.00 -160.00 168.16 165.89 164.93 . . 0 "[ . 1 . 2]" 215 . 2 13 ASN N 2 13 ASN CA 2 13 ASN CB 2 13 ASN CG -80.00 -40.00 -73.59 -76.91 -58.07 . . 0 "[ . 1 . 2]" 216 . 2 15 LYS N 2 15 LYS CA 2 15 LYS CB 2 15 LYS CG -80.00 -40.00 -62.76 -62.18 -62.57 . . 0 "[ . 1 . 2]" 217 . 2 16 TRP N 2 16 TRP CA 2 16 TRP CB 2 16 TRP CG -80.00 -40.00 -60.75 -65.77 -53.37 . . 0 "[ . 1 . 2]" 218 . 2 16 TRP CA 2 16 TRP CB 2 16 TRP CG 2 16 TRP CD1 70.00 110.00 71.56 69.33 76.44 0.67 2 0 "[ . 1 . 2]" 219 . 2 17 THR N 2 17 THR CA 2 17 THR CB 2 17 THR OG1 -80.00 -40.00 -49.76 -66.37 -43.13 . . 0 "[ . 1 . 2]" 220 . 2 18 TRP N 2 18 TRP CA 2 18 TRP CB 2 18 TRP CG 160.00 -160.00 -179.91 179.33 178.36 . . 0 "[ . 1 . 2]" 221 . 2 19 LYS N 2 19 LYS CA 2 19 LYS CB 2 19 LYS CG -80.00 -40.00 -71.06 -75.75 -75.86 . . 0 "[ . 1 . 2]" 222 . 2 22 ILE N 2 22 ILE CA 2 22 ILE CB 2 22 ILE CG1 40.00 80.00 51.13 49.93 52.21 . . 0 "[ . 1 . 2]" 223 . 2 23 ARG N 2 23 ARG CA 2 23 ARG CB 2 23 ARG CG 40.00 80.00 51.64 38.97 61.07 1.03 4 0 "[ . 1 . 2]" 224 . 2 24 LEU N 2 24 LEU CA 2 24 LEU CB 2 24 LEU CG -80.00 -40.00 -63.63 -66.55 -69.68 . . 0 "[ . 1 . 2]" 225 . 2 25 GLU N 2 25 GLU CA 2 25 GLU CB 2 25 GLU CG 150.00 -150.00 -171.60 -176.01 -177.05 . . 0 "[ . 1 . 2]" stop_ save_
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