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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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580051 |
2rtt ![]() ![]() |
11531 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rtt save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 201 _TA_constraint_stats_list.Viol_count 1045 _TA_constraint_stats_list.Viol_total 21798.64 _TA_constraint_stats_list.Viol_max 4.84 _TA_constraint_stats_list.Viol_rms 0.45 _TA_constraint_stats_list.Viol_average_all_restraints 0.12 _TA_constraint_stats_list.Viol_average_violations_only 0.70 _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 THR C 1 3 SER N 1 3 SER CA 1 3 SER C 167.85 -30.93 -149.13 -174.56 -174.62 . . 0 "[ . 1 . 2 . 3]" 2 . 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 ALA N 95.35 -168.89 137.23 95.21 -169.92 0.14 28 0 "[ . 1 . 2 . 3]" 3 . 1 3 SER C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -175.85 -91.37 -120.74 -175.93 -91.30 0.08 14 0 "[ . 1 . 2 . 3]" 4 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 THR N 132.70 177.86 136.43 133.10 133.02 0.05 8 0 "[ . 1 . 2 . 3]" 5 . 1 4 ALA C 1 5 THR N 1 5 THR CA 1 5 THR C -150.07 -108.99 -137.13 -150.13 -109.58 0.06 14 0 "[ . 1 . 2 . 3]" 6 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 ALA N 126.98 179.50 159.25 127.20 178.53 . . 0 "[ . 1 . 2 . 3]" 7 . 1 5 THR C 1 6 ALA N 1 6 ALA CA 1 6 ALA C -162.35 -96.19 -141.48 -142.45 -142.50 0.01 7 0 "[ . 1 . 2 . 3]" 8 . 1 6 ALA N 1 6 ALA CA 1 6 ALA C 1 7 THR N 112.65 163.81 155.36 163.77 163.70 0.12 23 0 "[ . 1 . 2 . 3]" 9 . 1 6 ALA C 1 7 THR N 1 7 THR CA 1 7 THR C -171.63 -85.43 -137.13 -153.50 -88.52 . . 0 "[ . 1 . 2 . 3]" 10 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 PHE N 109.84 147.68 136.72 109.70 147.72 0.14 10 0 "[ . 1 . 2 . 3]" 11 . 1 7 THR C 1 8 PHE N 1 8 PHE CA 1 8 PHE C -131.35 -64.31 -80.70 -88.76 -88.77 . . 0 "[ . 1 . 2 . 3]" 12 . 1 8 PHE N 1 8 PHE CA 1 8 PHE C 1 9 ALA N 106.23 146.27 141.90 125.75 146.34 0.07 11 0 "[ . 1 . 2 . 3]" 13 . 1 8 PHE C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -157.53 -63.69 -143.27 -145.86 -145.96 . . 0 "[ . 1 . 2 . 3]" 14 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 LYS N 95.03 176.03 160.04 163.45 163.36 . . 0 "[ . 1 . 2 . 3]" 15 . 1 9 ALA C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -156.82 -30.88 -104.17 -120.96 -91.77 . . 0 "[ . 1 . 2 . 3]" 16 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 THR N 80.43 171.93 147.20 138.86 138.78 . . 0 "[ . 1 . 2 . 3]" 17 . 1 10 LYS C 1 11 THR N 1 11 THR CA 1 11 THR C -151.50 -22.98 -110.09 -131.44 -74.16 . . 0 "[ . 1 . 2 . 3]" 18 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 SER N -82.85 21.67 -60.18 -60.92 -60.97 . . 0 "[ . 1 . 2 . 3]" 19 . 1 11 THR C 1 12 SER N 1 12 SER CA 1 12 SER C 136.03 10.57 -178.23 179.96 -171.85 . . 0 "[ . 1 . 2 . 3]" 20 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 ASP N 122.79 -167.67 136.27 127.24 149.55 . . 0 "[ . 1 . 2 . 3]" 21 . 1 12 SER C 1 13 ASP N 1 13 ASP CA 1 13 ASP C 175.51 -46.13 -117.28 -121.49 -115.22 . . 0 "[ . 1 . 2 . 3]" 22 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 TRP N 127.60 155.68 127.15 125.90 127.98 1.70 7 0 "[ . 1 . 2 . 3]" 23 . 1 13 ASP C 1 14 TRP N 1 14 TRP CA 1 14 TRP C -110.15 -61.23 -111.12 -112.46 -110.42 2.31 17 0 "[ . 1 . 2 . 3]" 24 . 1 14 TRP N 1 14 TRP CA 1 14 TRP C 1 15 GLY N 77.94 143.86 88.75 88.23 88.17 . . 0 "[ . 1 . 2 . 3]" 25 . 1 15 GLY C 1 16 THR N 1 16 THR CA 1 16 THR C -124.16 -75.80 -106.81 -100.33 -100.39 . . 0 "[ . 1 . 2 . 3]" 26 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 GLY N -17.38 27.66 -17.54 -17.76 -16.36 0.38 5 0 "[ . 1 . 2 . 3]" 27 . 1 17 GLY C 1 18 PHE N 1 18 PHE CA 1 18 PHE C 132.97 -61.13 -137.00 -148.59 -99.06 . . 0 "[ . 1 . 2 . 3]" 28 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 GLY N 130.81 -156.77 147.89 139.75 161.07 . . 0 "[ . 1 . 2 . 3]" 29 . 1 18 PHE C 1 19 GLY N 1 19 GLY CA 1 19 GLY C 157.47 -14.49 -106.38 -104.06 -104.06 . . 0 "[ . 1 . 2 . 3]" 30 . 1 19 GLY N 1 19 GLY CA 1 19 GLY C 1 20 GLY N 65.82 -136.68 116.64 105.57 133.38 . . 0 "[ . 1 . 2 . 3]" 31 . 1 19 GLY C 1 20 GLY N 1 20 GLY CA 1 20 GLY C 145.89 -51.03 -89.72 -108.82 -74.48 . . 0 "[ . 1 . 2 . 3]" 32 . 1 20 GLY N 1 20 GLY CA 1 20 GLY C 1 21 SER N 99.43 -135.17 142.18 116.94 154.45 . . 0 "[ . 1 . 2 . 3]" 33 . 1 20 GLY C 1 21 SER N 1 21 SER CA 1 21 SER C -149.65 -67.77 -136.45 -149.79 -106.85 0.14 27 0 "[ . 1 . 2 . 3]" 34 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 TRP N 94.65 -168.47 98.19 95.57 95.51 0.20 8 0 "[ . 1 . 2 . 3]" 35 . 1 21 SER C 1 22 TRP N 1 22 TRP CA 1 22 TRP C -151.57 -90.37 -91.60 -100.03 -89.78 0.59 15 0 "[ . 1 . 2 . 3]" 36 . 1 22 TRP N 1 22 TRP CA 1 22 TRP C 1 23 THR N 113.51 173.43 132.89 145.20 145.13 . . 0 "[ . 1 . 2 . 3]" 37 . 1 22 TRP C 1 23 THR N 1 23 THR CA 1 23 THR C -145.95 -88.43 -110.82 -129.81 -93.73 . . 0 "[ . 1 . 2 . 3]" 38 . 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 VAL N 101.91 137.03 113.13 101.53 132.01 0.38 14 0 "[ . 1 . 2 . 3]" 39 . 1 23 THR C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -144.48 -76.48 -107.36 -115.98 -116.08 . . 0 "[ . 1 . 2 . 3]" 40 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 LYS N 115.93 131.57 131.85 131.58 131.56 1.19 17 0 "[ . 1 . 2 . 3]" 41 . 1 24 VAL C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -156.91 -86.91 -139.79 -144.64 -132.43 . . 0 "[ . 1 . 2 . 3]" 42 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 ASN N 118.15 170.95 123.54 118.12 118.10 0.26 28 0 "[ . 1 . 2 . 3]" 43 . 1 25 LYS C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -119.39 -64.11 -113.65 -119.93 -104.21 0.54 22 0 "[ . 1 . 2 . 3]" 44 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 THR N 101.48 153.52 125.70 101.37 148.99 0.11 15 0 "[ . 1 . 2 . 3]" 45 . 1 26 ASN C 1 27 THR N 1 27 THR CA 1 27 THR C -172.62 -29.82 -163.45 -146.00 -146.05 0.09 13 0 "[ . 1 . 2 . 3]" 46 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 GLY N 78.92 -143.80 146.27 134.12 134.06 . . 0 "[ . 1 . 2 . 3]" 47 . 1 27 THR C 1 28 GLY N 1 28 GLY CA 1 28 GLY C 48.09 9.63 100.16 110.87 110.82 . . 0 "[ . 1 . 2 . 3]" 48 . 1 28 GLY N 1 28 GLY CA 1 28 GLY C 1 29 THR N -101.33 70.39 -43.57 -57.26 -57.28 . . 0 "[ . 1 . 2 . 3]" 49 . 1 28 GLY C 1 29 THR N 1 29 THR CA 1 29 THR C -130.85 -56.51 -81.04 -130.98 -56.34 0.17 22 0 "[ . 1 . 2 . 3]" 50 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 THR N 120.33 177.33 170.78 158.64 177.42 0.09 17 0 "[ . 1 . 2 . 3]" 51 . 1 29 THR C 1 30 THR N 1 30 THR CA 1 30 THR C -157.19 -46.67 -63.39 -63.15 -63.17 . . 0 "[ . 1 . 2 . 3]" 52 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 SER N 125.81 -169.81 -177.71 157.00 -169.35 0.46 27 0 "[ . 1 . 2 . 3]" 53 . 1 30 THR C 1 31 SER N 1 31 SER CA 1 31 SER C -122.88 -29.58 -52.53 -51.52 -51.53 . . 0 "[ . 1 . 2 . 3]" 54 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 LEU N 99.48 152.52 123.22 99.41 145.65 0.07 28 0 "[ . 1 . 2 . 3]" 55 . 1 31 SER C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -137.40 -56.82 -82.47 -91.64 -91.65 . . 0 "[ . 1 . 2 . 3]" 56 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 SER N 99.47 -166.63 179.20 126.16 -169.89 . . 0 "[ . 1 . 2 . 3]" 57 . 1 32 LEU C 1 33 SER N 1 33 SER CA 1 33 SER C -162.27 -31.47 -134.93 -142.49 -142.50 . . 0 "[ . 1 . 2 . 3]" 58 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 SER N -50.74 39.38 -46.30 -52.95 -52.99 3.45 14 0 "[ . 1 . 2 . 3]" 59 . 1 33 SER C 1 34 SER N 1 34 SER CA 1 34 SER C -179.07 -69.39 -156.93 178.48 -133.75 2.45 26 0 "[ . 1 . 2 . 3]" 60 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 TRP N 135.93 176.37 162.21 157.55 157.54 0.01 6 0 "[ . 1 . 2 . 3]" 61 . 1 34 SER C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -161.47 -96.99 -127.46 -114.45 -114.46 . . 0 "[ . 1 . 2 . 3]" 62 . 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 THR N 127.73 164.65 127.73 126.87 126.84 1.29 24 0 "[ . 1 . 2 . 3]" 63 . 1 35 TRP C 1 36 THR N 1 36 THR CA 1 36 THR C -152.63 -90.63 -128.51 -152.89 -113.49 0.26 29 0 "[ . 1 . 2 . 3]" 64 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 VAL N 100.69 156.13 110.97 100.50 144.23 0.19 12 0 "[ . 1 . 2 . 3]" 65 . 1 36 THR C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -131.05 -101.49 -104.28 -101.33 -101.39 0.48 19 0 "[ . 1 . 2 . 3]" 66 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 GLU N 105.93 147.85 110.80 105.16 125.46 0.77 19 0 "[ . 1 . 2 . 3]" 67 . 1 37 VAL C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -158.56 -103.44 -124.59 -128.37 -128.38 . . 0 "[ . 1 . 2 . 3]" 68 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 TRP N 109.19 -171.29 147.90 156.10 156.09 . . 0 "[ . 1 . 2 . 3]" 69 . 1 38 GLU C 1 39 TRP N 1 39 TRP CA 1 39 TRP C 158.12 -90.24 -146.52 -152.97 -153.00 . . 0 "[ . 1 . 2 . 3]" 70 . 1 39 TRP N 1 39 TRP CA 1 39 TRP C 1 40 ASP N 125.71 -167.49 169.92 170.20 170.16 . . 0 "[ . 1 . 2 . 3]" 71 . 1 39 TRP C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -148.68 -98.56 -98.14 -98.13 -98.14 0.99 8 0 "[ . 1 . 2 . 3]" 72 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 PHE N 123.69 173.77 130.56 130.88 130.78 . . 0 "[ . 1 . 2 . 3]" 73 . 1 40 ASP C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -155.18 -91.10 -112.96 -120.44 -111.23 . . 0 "[ . 1 . 2 . 3]" 74 . 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 PRO N 73.00 -168.68 76.66 78.55 78.53 . . 0 "[ . 1 . 2 . 3]" 75 . 1 42 PRO C 1 43 THR N 1 43 THR CA 1 43 THR C -98.24 -29.60 -72.52 -74.65 -70.40 . . 0 "[ . 1 . 2 . 3]" 76 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 GLY N 123.27 141.11 145.13 144.34 145.95 4.84 15 0 "[ . 1 . 2 . 3]" 77 . 1 43 THR C 1 44 GLY N 1 44 GLY CA 1 44 GLY C 163.67 -16.57 -38.24 -39.78 -39.92 . . 0 "[ . 1 . 2 . 3]" 78 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 THR N 82.28 171.98 98.19 97.70 97.67 . . 0 "[ . 1 . 2 . 3]" 79 . 1 44 GLY C 1 45 THR N 1 45 THR CA 1 45 THR C -153.59 -68.43 -155.26 -156.94 -154.46 3.35 5 0 "[ . 1 . 2 . 3]" 80 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 LYS N 110.55 157.51 153.24 137.84 157.86 0.35 7 0 "[ . 1 . 2 . 3]" 81 . 1 45 THR C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -172.77 -108.29 -171.35 -173.83 -151.95 1.06 17 0 "[ . 1 . 2 . 3]" 82 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 VAL N 131.36 -179.36 130.92 130.23 131.39 1.13 13 0 "[ . 1 . 2 . 3]" 83 . 1 47 VAL C 1 48 THR N 1 48 THR CA 1 48 THR C -130.39 -63.73 -65.73 -63.16 -63.19 1.09 10 0 "[ . 1 . 2 . 3]" 84 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 SER N -57.77 16.21 -42.99 -50.48 -31.21 . . 0 "[ . 1 . 2 . 3]" 85 . 1 48 THR C 1 49 SER N 1 49 SER CA 1 49 SER C 148.62 -62.30 -139.35 -142.60 -142.68 . . 0 "[ . 1 . 2 . 3]" 86 . 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 ALA N 122.80 176.04 149.74 139.61 164.43 . . 0 "[ . 1 . 2 . 3]" 87 . 1 49 SER C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -177.22 -114.42 -143.63 -131.84 -131.85 . . 0 "[ . 1 . 2 . 3]" 88 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 TRP N 130.09 178.89 146.70 137.97 137.89 0.09 16 0 "[ . 1 . 2 . 3]" 89 . 1 50 ALA C 1 51 TRP N 1 51 TRP CA 1 51 TRP C 169.03 -95.75 -134.85 -153.31 -118.59 . . 0 "[ . 1 . 2 . 3]" 90 . 1 51 TRP N 1 51 TRP CA 1 51 TRP C 1 52 ASP N 93.00 -151.32 144.45 142.48 142.48 . . 0 "[ . 1 . 2 . 3]" 91 . 1 51 TRP C 1 52 ASP N 1 52 ASP CA 1 52 ASP C 33.14 84.26 64.28 59.36 65.53 . . 0 "[ . 1 . 2 . 3]" 92 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 ALA N 5.38 70.66 14.73 14.04 13.99 . . 0 "[ . 1 . 2 . 3]" 93 . 1 52 ASP C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -171.59 -48.77 -172.72 -173.35 -171.97 1.76 21 0 "[ . 1 . 2 . 3]" 94 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 THR N 84.66 -137.22 107.96 92.98 134.26 . . 0 "[ . 1 . 2 . 3]" 95 . 1 53 ALA C 1 54 THR N 1 54 THR CA 1 54 THR C -155.21 -51.89 -66.47 -86.56 -54.60 . . 0 "[ . 1 . 2 . 3]" 96 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 VAL N 85.34 158.42 98.02 100.00 99.98 . . 0 "[ . 1 . 2 . 3]" 97 . 1 54 THR C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -133.09 -80.05 -88.44 -94.47 -80.17 . . 0 "[ . 1 . 2 . 3]" 98 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 THR N 112.49 147.17 126.00 119.52 119.50 0.15 20 0 "[ . 1 . 2 . 3]" 99 . 1 55 VAL C 1 56 THR N 1 56 THR CA 1 56 THR C -174.62 -83.34 -118.02 -139.68 -102.35 . . 0 "[ . 1 . 2 . 3]" 100 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 ASN N 119.06 -175.94 161.83 118.87 179.08 0.19 20 0 "[ . 1 . 2 . 3]" 101 . 1 56 THR C 1 57 ASN N 1 57 ASN CA 1 57 ASN C 171.47 -50.69 -124.41 -139.84 -139.85 . . 0 "[ . 1 . 2 . 3]" 102 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 SER N 120.72 178.16 157.17 153.24 161.02 . . 0 "[ . 1 . 2 . 3]" 103 . 1 57 ASN C 1 58 SER N 1 58 SER CA 1 58 SER C -165.80 -36.96 -159.78 -162.50 -157.07 . . 0 "[ . 1 . 2 . 3]" 104 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 GLY N 86.05 -177.59 85.64 85.08 85.98 0.97 14 0 "[ . 1 . 2 . 3]" 105 . 1 58 SER C 1 59 GLY N 1 59 GLY CA 1 59 GLY C -71.17 179.39 74.14 69.86 77.17 . . 0 "[ . 1 . 2 . 3]" 106 . 1 59 GLY N 1 59 GLY CA 1 59 GLY C 1 60 ASP N 167.65 -31.25 -92.23 -94.28 -88.85 . . 0 "[ . 1 . 2 . 3]" 107 . 1 59 GLY C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -125.95 -68.95 -126.42 -127.20 -126.03 1.25 14 0 "[ . 1 . 2 . 3]" 108 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 HIS N -24.34 29.96 10.14 -0.14 20.95 . . 0 "[ . 1 . 2 . 3]" 109 . 1 60 ASP C 1 61 HIS N 1 61 HIS CA 1 61 HIS C -168.73 -64.69 -121.89 -108.70 -108.73 . . 0 "[ . 1 . 2 . 3]" 110 . 1 61 HIS N 1 61 HIS CA 1 61 HIS C 1 62 TRP N 99.73 146.73 146.77 145.39 147.04 0.31 17 0 "[ . 1 . 2 . 3]" 111 . 1 61 HIS C 1 62 TRP N 1 62 TRP CA 1 62 TRP C -158.18 -12.80 -130.37 -135.19 -126.30 . . 0 "[ . 1 . 2 . 3]" 112 . 1 62 TRP N 1 62 TRP CA 1 62 TRP C 1 63 THR N 65.34 -171.54 153.25 120.20 164.21 . . 0 "[ . 1 . 2 . 3]" 113 . 1 62 TRP C 1 63 THR N 1 63 THR CA 1 63 THR C -152.52 -86.04 -144.58 -148.40 -148.46 0.19 7 0 "[ . 1 . 2 . 3]" 114 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 ALA N 104.60 148.40 148.29 149.10 149.05 2.00 25 0 "[ . 1 . 2 . 3]" 115 . 1 63 THR C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -149.58 -99.54 -128.11 -134.32 -119.96 . . 0 "[ . 1 . 2 . 3]" 116 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 LYS N 110.96 172.56 128.28 124.63 124.61 0.10 29 0 "[ . 1 . 2 . 3]" 117 . 1 64 ALA C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -171.36 -65.56 -140.38 -155.40 -130.42 . . 0 "[ . 1 . 2 . 3]" 118 . 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 ASN N 121.84 177.76 146.87 157.78 157.77 0.09 20 0 "[ . 1 . 2 . 3]" 119 . 1 65 LYS C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -131.11 -16.45 -123.68 -131.32 -131.35 0.91 24 0 "[ . 1 . 2 . 3]" 120 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 VAL N -51.12 -17.46 -44.48 -52.43 -25.12 1.31 24 0 "[ . 1 . 2 . 3]" 121 . 1 66 ASN C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -130.10 -64.02 -99.45 -101.44 -101.45 . . 0 "[ . 1 . 2 . 3]" 122 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 GLY N -44.78 38.22 39.89 40.27 40.23 4.56 23 0 "[ . 1 . 2 . 3]" 123 . 1 67 VAL C 1 68 GLY N 1 68 GLY CA 1 68 GLY C -102.72 -27.60 -78.31 -80.89 -73.22 . . 0 "[ . 1 . 2 . 3]" 124 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 TRP N -74.45 16.81 0.90 -1.59 4.68 . . 0 "[ . 1 . 2 . 3]" 125 . 1 68 GLY C 1 69 TRP N 1 69 TRP CA 1 69 TRP C -129.67 -72.99 -114.53 -118.21 -104.44 . . 0 "[ . 1 . 2 . 3]" 126 . 1 69 TRP N 1 69 TRP CA 1 69 TRP C 1 70 ASN N -33.50 21.62 -28.04 -24.64 -24.72 0.59 29 0 "[ . 1 . 2 . 3]" 127 . 1 69 TRP C 1 70 ASN N 1 70 ASN CA 1 70 ASN C -132.71 -73.85 -109.96 -110.51 -110.55 0.18 27 0 "[ . 1 . 2 . 3]" 128 . 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 GLY N -68.01 87.69 -51.54 -45.05 -45.06 3.25 26 0 "[ . 1 . 2 . 3]" 129 . 1 70 ASN C 1 71 GLY N 1 71 GLY CA 1 71 GLY C 34.39 121.75 61.34 48.32 92.00 . . 0 "[ . 1 . 2 . 3]" 130 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 THR N -37.48 80.72 38.11 55.27 55.25 0.85 17 0 "[ . 1 . 2 . 3]" 131 . 1 71 GLY C 1 72 THR N 1 72 THR CA 1 72 THR C -167.75 -24.23 -118.19 -145.93 -49.43 . . 0 "[ . 1 . 2 . 3]" 132 . 1 72 THR N 1 72 THR CA 1 72 THR C 1 73 LEU N 95.39 167.81 103.25 94.70 94.66 1.24 27 0 "[ . 1 . 2 . 3]" 133 . 1 72 THR C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -166.45 -50.17 -137.87 -137.46 -137.51 . . 0 "[ . 1 . 2 . 3]" 134 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 ALA N 98.26 160.02 157.05 160.87 160.83 1.41 5 0 "[ . 1 . 2 . 3]" 135 . 1 73 LEU C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -126.65 -53.13 -78.82 -108.40 -52.99 0.14 27 0 "[ . 1 . 2 . 3]" 136 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 PRO N 76.75 169.67 162.12 162.33 162.31 . . 0 "[ . 1 . 2 . 3]" 137 . 1 75 PRO C 1 76 GLY N 1 76 GLY CA 1 76 GLY C -166.02 -99.84 -143.91 -138.52 -138.53 . . 0 "[ . 1 . 2 . 3]" 138 . 1 76 GLY N 1 76 GLY CA 1 76 GLY C 1 77 ALA N 116.03 164.27 115.67 114.29 119.00 1.74 5 0 "[ . 1 . 2 . 3]" 139 . 1 76 GLY C 1 77 ALA N 1 77 ALA CA 1 77 ALA C 170.66 -41.34 -179.30 177.64 -175.94 . . 0 "[ . 1 . 2 . 3]" 140 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 SER N 123.39 172.03 172.25 172.02 172.54 0.51 23 0 "[ . 1 . 2 . 3]" 141 . 1 77 ALA C 1 78 SER N 1 78 SER CA 1 78 SER C -174.93 -76.29 -133.09 -147.73 -147.75 . . 0 "[ . 1 . 2 . 3]" 142 . 1 78 SER N 1 78 SER CA 1 78 SER C 1 79 VAL N 132.52 -179.56 131.47 131.02 131.71 1.50 29 0 "[ . 1 . 2 . 3]" 143 . 1 78 SER C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -159.18 -122.02 -137.21 -149.41 -127.05 . . 0 "[ . 1 . 2 . 3]" 144 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 SER N 110.32 177.60 122.96 109.43 149.80 0.89 29 0 "[ . 1 . 2 . 3]" 145 . 1 79 VAL C 1 80 SER N 1 80 SER CA 1 80 SER C -155.32 -88.32 -116.90 -129.73 -129.78 . . 0 "[ . 1 . 2 . 3]" 146 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 PHE N 118.02 164.30 141.43 120.53 164.38 0.08 23 0 "[ . 1 . 2 . 3]" 147 . 1 80 SER C 1 81 PHE N 1 81 PHE CA 1 81 PHE C 175.17 -83.35 -133.08 -156.33 -104.30 . . 0 "[ . 1 . 2 . 3]" 148 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 GLY N 116.71 178.35 139.19 126.44 156.47 . . 0 "[ . 1 . 2 . 3]" 149 . 1 82 GLY C 1 83 PHE N 1 83 PHE CA 1 83 PHE C 158.64 -51.32 -170.25 -168.73 -168.81 . . 0 "[ . 1 . 2 . 3]" 150 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 ASN N 128.03 -171.73 177.89 177.82 177.80 . . 0 "[ . 1 . 2 . 3]" 151 . 1 83 PHE C 1 84 ASN N 1 84 ASN CA 1 84 ASN C -145.89 -93.25 -129.71 -139.39 -122.07 . . 0 "[ . 1 . 2 . 3]" 152 . 1 84 ASN N 1 84 ASN CA 1 84 ASN C 1 85 GLY N 125.93 172.77 132.52 125.68 173.12 0.35 9 0 "[ . 1 . 2 . 3]" 153 . 1 84 ASN C 1 85 GLY N 1 85 GLY CA 1 85 GLY C 150.96 -58.32 -137.01 -130.94 -130.96 . . 0 "[ . 1 . 2 . 3]" 154 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 SER N 95.23 -154.97 156.46 149.38 167.66 . . 0 "[ . 1 . 2 . 3]" 155 . 1 85 GLY C 1 86 SER N 1 86 SER CA 1 86 SER C -150.01 -65.49 -101.75 -95.84 -95.89 . . 0 "[ . 1 . 2 . 3]" 156 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 GLY N 109.61 -174.39 111.97 109.38 125.47 0.23 3 0 "[ . 1 . 2 . 3]" 157 . 1 86 SER C 1 87 GLY N 1 87 GLY CA 1 87 GLY C 153.50 -42.82 157.40 158.03 157.96 0.23 20 0 "[ . 1 . 2 . 3]" 158 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 PRO N 9.64 -124.04 -160.03 -160.23 -160.28 . . 0 "[ . 1 . 2 . 3]" 159 . 1 88 PRO C 1 89 GLY N 1 89 GLY CA 1 89 GLY C 65.91 104.71 88.65 86.50 96.41 . . 0 "[ . 1 . 2 . 3]" 160 . 1 89 GLY N 1 89 GLY CA 1 89 GLY C 1 90 SER N -18.73 25.67 26.80 26.73 26.69 1.89 24 0 "[ . 1 . 2 . 3]" 161 . 1 89 GLY C 1 90 SER N 1 90 SER CA 1 90 SER C -175.48 -85.28 -112.54 -113.42 -111.71 . . 0 "[ . 1 . 2 . 3]" 162 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 PRO N 59.55 -132.73 76.06 73.61 73.56 . . 0 "[ . 1 . 2 . 3]" 163 . 1 91 PRO C 1 92 SER N 1 92 SER CA 1 92 SER C -148.31 -87.23 -147.52 -148.60 -140.08 0.29 20 0 "[ . 1 . 2 . 3]" 164 . 1 92 SER N 1 92 SER CA 1 92 SER C 1 93 ASN N 130.75 -161.53 172.87 161.71 -177.42 . . 0 "[ . 1 . 2 . 3]" 165 . 1 92 SER C 1 93 ASN N 1 93 ASN CA 1 93 ASN C 35.87 72.23 57.58 63.25 63.23 . . 0 "[ . 1 . 2 . 3]" 166 . 1 93 ASN N 1 93 ASN CA 1 93 ASN C 1 94 CYS N 3.62 74.24 54.76 41.07 65.66 . . 0 "[ . 1 . 2 . 3]" 167 . 1 93 ASN C 1 94 CYS N 1 94 CYS CA 1 94 CYS C 150.12 -64.68 -73.97 -68.50 -68.57 0.23 11 0 "[ . 1 . 2 . 3]" 168 . 1 94 CYS N 1 94 CYS CA 1 94 CYS C 1 95 LYS N 92.34 -165.18 105.46 92.06 131.75 0.28 3 0 "[ . 1 . 2 . 3]" 169 . 1 94 CYS C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -151.77 -102.65 -130.14 -127.13 -127.19 0.22 18 0 "[ . 1 . 2 . 3]" 170 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 LEU N 119.03 143.83 133.22 119.06 118.98 0.33 4 0 "[ . 1 . 2 . 3]" 171 . 1 95 LYS C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -161.05 -86.37 -143.52 -160.32 -124.74 . . 0 "[ . 1 . 2 . 3]" 172 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 ASN N 90.43 155.55 154.32 145.84 156.79 1.24 22 0 "[ . 1 . 2 . 3]" 173 . 1 96 LEU C 1 97 ASN N 1 97 ASN CA 1 97 ASN C 29.99 75.59 63.25 64.38 64.38 . . 0 "[ . 1 . 2 . 3]" 174 . 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 GLY N 15.91 64.21 38.90 28.35 28.34 . . 0 "[ . 1 . 2 . 3]" 175 . 1 97 ASN C 1 98 GLY N 1 98 GLY CA 1 98 GLY C 53.24 104.96 79.45 70.80 98.58 . . 0 "[ . 1 . 2 . 3]" 176 . 1 98 GLY N 1 98 GLY CA 1 98 GLY C 1 99 GLY N -35.27 41.83 36.04 42.23 42.17 0.94 17 0 "[ . 1 . 2 . 3]" 177 . 1 98 GLY C 1 99 GLY N 1 99 GLY CA 1 99 GLY C -11.03 93.37 84.83 60.55 94.30 0.93 17 0 "[ . 1 . 2 . 3]" 178 . 1 99 GLY N 1 99 GLY CA 1 99 GLY C 1 100 SER N -129.64 120.86 69.79 58.09 75.52 . . 0 "[ . 1 . 2 . 3]" 179 . 1 99 GLY C 1 100 SER N 1 100 SER CA 1 100 SER C -156.04 -3.34 -155.27 -156.60 -139.36 0.56 26 0 "[ . 1 . 2 . 3]" 180 . 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 CYS N 104.44 151.24 112.03 132.62 132.61 0.50 29 0 "[ . 1 . 2 . 3]" 181 . 1 100 SER C 1 101 CYS N 1 101 CYS CA 1 101 CYS C 155.19 -45.03 -159.81 179.26 -132.20 . . 0 "[ . 1 . 2 . 3]" 182 . 1 101 CYS N 1 101 CYS CA 1 101 CYS C 1 102 ASP N 112.52 -163.60 133.71 123.33 123.29 0.07 5 0 "[ . 1 . 2 . 3]" 183 . 1 101 CYS C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -127.47 -45.33 -108.10 -127.57 -61.37 0.10 13 0 "[ . 1 . 2 . 3]" 184 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 GLY N 68.24 -148.18 134.01 156.89 156.88 . . 0 "[ . 1 . 2 . 3]" 185 . 1 102 ASP C 1 103 GLY N 1 103 GLY CA 1 103 GLY C 55.79 115.61 91.98 65.23 65.14 . . 0 "[ . 1 . 2 . 3]" 186 . 1 103 GLY N 1 103 GLY CA 1 103 GLY C 1 104 THR N -30.09 50.67 20.94 -30.03 50.62 . . 0 "[ . 1 . 2 . 3]" 187 . 1 103 GLY C 1 104 THR N 1 104 THR CA 1 104 THR C 173.30 -32.42 -123.93 -178.02 -178.09 . . 0 "[ . 1 . 2 . 3]" 188 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 SER N 79.70 -168.30 168.32 178.61 178.49 . . 0 "[ . 1 . 2 . 3]" 189 . 1 8 PHE N 1 8 PHE CA 1 8 PHE CB 1 8 PHE CG 120.00 -120.00 176.09 172.28 172.27 . . 0 "[ . 1 . 2 . 3]" 190 . 1 14 TRP N 1 14 TRP CA 1 14 TRP CB 1 14 TRP CG 0.00 120.00 47.05 45.00 50.15 . . 0 "[ . 1 . 2 . 3]" 191 . 1 18 PHE N 1 18 PHE CA 1 18 PHE CB 1 18 PHE CG 0.00 120.00 79.04 74.50 85.67 . . 0 "[ . 1 . 2 . 3]" 192 . 1 22 TRP N 1 22 TRP CA 1 22 TRP CB 1 22 TRP CG -120.00 0.00 -67.19 -73.86 -61.19 . . 0 "[ . 1 . 2 . 3]" 193 . 1 35 TRP N 1 35 TRP CA 1 35 TRP CB 1 35 TRP CG 0.00 120.00 53.06 43.85 67.97 . . 0 "[ . 1 . 2 . 3]" 194 . 1 39 TRP N 1 39 TRP CA 1 39 TRP CB 1 39 TRP CG 0.00 120.00 0.66 1.44 1.37 2.66 8 0 "[ . 1 . 2 . 3]" 195 . 1 41 PHE N 1 41 PHE CA 1 41 PHE CB 1 41 PHE CG -120.00 120.00 -93.54 -98.41 -89.46 . . 0 "[ . 1 . 2 . 3]" 196 . 1 51 TRP N 1 51 TRP CA 1 51 TRP CB 1 51 TRP CG 0.00 120.00 49.26 47.55 50.94 . . 0 "[ . 1 . 2 . 3]" 197 . 1 61 HIS N 1 61 HIS CA 1 61 HIS CB 1 61 HIS CG 120.00 -120.00 172.89 168.55 178.70 . . 0 "[ . 1 . 2 . 3]" 198 . 1 62 TRP N 1 62 TRP CA 1 62 TRP CB 1 62 TRP CG -120.00 0.00 -71.22 -78.12 -66.81 . . 0 "[ . 1 . 2 . 3]" 199 . 1 69 TRP N 1 69 TRP CA 1 69 TRP CB 1 69 TRP CG 0.00 120.00 32.80 35.51 35.49 . . 0 "[ . 1 . 2 . 3]" 200 . 1 81 PHE N 1 81 PHE CA 1 81 PHE CB 1 81 PHE CG 0.00 120.00 73.05 73.77 73.71 . . 0 "[ . 1 . 2 . 3]" 201 . 1 83 PHE N 1 83 PHE CA 1 83 PHE CB 1 83 PHE CG 0.00 120.00 74.31 74.03 73.99 . . 0 "[ . 1 . 2 . 3]" stop_ save_
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