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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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575194 |
2rt3 ![]() ![]() |
11523 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rt3 save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 135 _TA_constraint_stats_list.Viol_count 456 _TA_constraint_stats_list.Viol_total 14748.94 _TA_constraint_stats_list.Viol_max 5.02 _TA_constraint_stats_list.Viol_rms 0.79 _TA_constraint_stats_list.Viol_average_all_restraints 0.27 _TA_constraint_stats_list.Viol_average_violations_only 1.62 _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 17 ALA C 1 18 CYS N 1 18 CYS CA 1 18 CYS C -128.21 -88.21 -93.22 -87.27 -87.48 1.42 8 0 "[ . 1 . 2]" 2 . 1 18 CYS N 1 18 CYS CA 1 18 CYS C 1 19 ARG N 150.21 -169.79 146.60 145.56 150.32 4.65 2 0 "[ . 1 . 2]" 3 . 1 19 ARG C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -137.92 -97.92 -105.34 -116.25 -97.50 0.43 18 0 "[ . 1 . 2]" 4 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 VAL N 107.80 147.80 105.83 105.60 105.34 3.14 17 0 "[ . 1 . 2]" 5 . 1 20 ASN C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -138.42 -98.42 -136.23 -136.14 -136.87 0.15 10 0 "[ . 1 . 2]" 6 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 PHE N 108.71 148.71 119.60 109.16 127.76 . . 0 "[ . 1 . 2]" 7 . 1 21 VAL C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -131.82 -91.82 -116.23 -116.92 -117.27 . . 0 "[ . 1 . 2]" 8 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 LEU N 105.19 145.19 125.14 121.37 131.73 . . 0 "[ . 1 . 2]" 9 . 1 22 PHE C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -139.06 -99.06 -108.13 -111.02 -112.86 . . 0 "[ . 1 . 2]" 10 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 GLY N 112.57 152.57 130.70 126.03 115.18 . . 0 "[ . 1 . 2]" 11 . 1 25 ASN C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -115.52 -75.52 -90.15 -89.96 -91.23 . . 0 "[ . 1 . 2]" 12 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 PRO N 125.10 165.10 160.41 155.60 165.20 0.10 12 0 "[ . 1 . 2]" 13 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 ASN N 129.03 169.03 164.21 161.47 156.09 0.84 19 0 "[ . 1 . 2]" 14 . 1 27 PRO C 1 28 ASN N 1 28 ASN CA 1 28 ASN C -78.08 -38.08 -76.20 -79.21 -66.31 1.13 12 0 "[ . 1 . 2]" 15 . 1 28 ASN N 1 28 ASN CA 1 28 ASN C 1 29 GLY N 115.17 155.17 125.33 116.17 134.58 . . 0 "[ . 1 . 2]" 16 . 1 28 ASN C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 67.78 107.78 106.08 107.79 106.94 1.94 20 0 "[ . 1 . 2]" 17 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 ILE N -27.89 12.11 -3.88 -6.29 -7.04 . . 0 "[ . 1 . 2]" 18 . 1 29 GLY C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -99.45 -59.45 -61.07 -68.23 -57.99 1.46 10 0 "[ . 1 . 2]" 19 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 THR N 109.67 149.67 128.07 129.01 128.69 . . 0 "[ . 1 . 2]" 20 . 1 30 ILE C 1 31 THR N 1 31 THR CA 1 31 THR C -113.52 -73.52 -113.22 -114.43 -109.22 0.92 8 0 "[ . 1 . 2]" 21 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 GLU N 144.32 -175.68 157.63 155.75 154.87 . . 0 "[ . 1 . 2]" 22 . 1 31 THR C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -81.42 -41.42 -61.89 -64.31 -57.88 . . 0 "[ . 1 . 2]" 23 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ASP N -59.22 -19.22 -37.95 -37.26 -38.04 . . 0 "[ . 1 . 2]" 24 . 1 32 GLU C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -83.46 -43.46 -51.36 -56.11 -42.75 0.71 18 0 "[ . 1 . 2]" 25 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 GLU N -58.10 -18.10 -37.64 -36.37 -36.81 . . 0 "[ . 1 . 2]" 26 . 1 33 ASP C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -87.48 -47.48 -68.83 -67.65 -68.16 . . 0 "[ . 1 . 2]" 27 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 ILE N -63.25 -23.25 -56.66 -60.54 -53.57 . . 0 "[ . 1 . 2]" 28 . 1 34 GLU C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -83.28 -43.28 -60.89 -61.45 -61.96 . . 0 "[ . 1 . 2]" 29 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 ARG N -61.81 -21.81 -41.33 -39.92 -40.56 . . 0 "[ . 1 . 2]" 30 . 1 35 ILE C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -81.17 -41.17 -54.77 -57.61 -52.19 . . 0 "[ . 1 . 2]" 31 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 GLU N -59.91 -19.91 -62.71 -64.12 -61.81 4.21 16 0 "[ . 1 . 2]" 32 . 1 36 ARG C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -85.39 -45.39 -58.20 -60.92 -55.68 . . 0 "[ . 1 . 2]" 33 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 ASP N -57.67 -17.67 -22.13 -18.03 -19.46 0.29 2 0 "[ . 1 . 2]" 34 . 1 37 GLU C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -97.23 -57.23 -87.32 -90.58 -83.22 . . 0 "[ . 1 . 2]" 35 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 LEU N -40.10 -0.10 -32.62 -35.20 -30.73 . . 0 "[ . 1 . 2]" 36 . 1 38 ASP C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -112.15 -72.15 -106.73 -108.43 -104.99 . . 0 "[ . 1 . 2]" 37 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 GLU N -36.69 3.32 -17.07 -12.16 -14.44 . . 0 "[ . 1 . 2]" 38 . 1 41 PRO C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -108.28 -68.28 -110.83 -110.21 -110.53 2.94 9 0 "[ . 1 . 2]" 39 . 1 42 PHE N 1 42 PHE CA 1 42 PHE C 1 43 GLY N -31.03 8.97 -6.23 -11.06 -12.82 . . 0 "[ . 1 . 2]" 40 . 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 ILE N 126.61 166.61 132.67 129.76 136.60 . . 0 "[ . 1 . 2]" 41 . 1 44 PRO C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -138.07 -98.07 -109.01 -109.99 -110.42 . . 0 "[ . 1 . 2]" 42 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 ASP N 111.71 151.71 150.72 149.92 148.95 1.24 6 0 "[ . 1 . 2]" 43 . 1 45 ILE C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -119.70 -79.70 -110.88 -116.10 -104.54 . . 0 "[ . 1 . 2]" 44 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 GLN N -35.66 4.34 -23.44 -28.80 -14.73 . . 0 "[ . 1 . 2]" 45 . 1 46 ASP C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -159.32 -119.32 -142.40 -151.66 -135.23 . . 0 "[ . 1 . 2]" 46 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 ILE N 118.86 158.86 121.84 126.83 122.85 . . 0 "[ . 1 . 2]" 47 . 1 47 GLN C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -139.73 -99.73 -135.76 -139.52 -131.52 . . 0 "[ . 1 . 2]" 48 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 LYS N 106.03 146.03 109.87 111.89 111.14 0.50 13 0 "[ . 1 . 2]" 49 . 1 48 ILE C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -137.81 -97.81 -115.47 -125.35 -106.58 . . 0 "[ . 1 . 2]" 50 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 ILE N 108.62 148.62 113.00 115.72 113.79 1.16 18 0 "[ . 1 . 2]" 51 . 1 49 LYS C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -118.64 -78.64 -102.94 -111.85 -98.85 . . 0 "[ . 1 . 2]" 52 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 VAL N 102.90 142.90 120.80 125.43 124.10 . . 0 "[ . 1 . 2]" 53 . 1 50 ILE C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -109.41 -69.41 -102.93 -110.57 -94.08 1.16 19 0 "[ . 1 . 2]" 54 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 THR N 88.70 128.70 87.20 85.51 88.29 3.19 2 0 "[ . 1 . 2]" 55 . 1 51 VAL C 1 52 THR N 1 52 THR CA 1 52 THR C -81.30 -41.30 -67.06 -71.75 -62.48 . . 0 "[ . 1 . 2]" 56 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 GLU N -49.47 -9.47 -19.52 -21.03 -22.22 . . 0 "[ . 1 . 2]" 57 . 1 52 THR C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -88.52 -48.52 -62.32 -69.02 -55.59 . . 0 "[ . 1 . 2]" 58 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ARG N -42.34 -2.34 -33.10 -41.83 -21.49 . . 0 "[ . 1 . 2]" 59 . 1 53 GLU C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -119.85 -79.85 -114.78 -113.91 -114.94 0.37 7 0 "[ . 1 . 2]" 60 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 ASN N -16.46 23.54 3.02 -2.73 8.79 . . 0 "[ . 1 . 2]" 61 . 1 54 ARG C 1 55 ASN N 1 55 ASN CA 1 55 ASN C 41.85 81.85 66.39 68.06 67.66 . . 0 "[ . 1 . 2]" 62 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 ILE N 21.81 61.81 27.37 23.70 30.56 . . 0 "[ . 1 . 2]" 63 . 1 55 ASN C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -163.32 -123.31 -122.16 -122.43 -122.73 2.03 15 0 "[ . 1 . 2]" 64 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 ALA N 146.33 -173.67 152.22 148.90 157.24 . . 0 "[ . 1 . 2]" 65 . 1 56 ILE C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -156.99 -117.00 -143.43 -143.19 -143.70 . . 0 "[ . 1 . 2]" 66 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 PHE N 121.52 161.52 138.52 139.47 138.80 . . 0 "[ . 1 . 2]" 67 . 1 57 ALA C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -141.61 -101.61 -108.57 -112.73 -103.91 . . 0 "[ . 1 . 2]" 68 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 VAL N 106.15 146.15 114.83 108.05 120.79 . . 0 "[ . 1 . 2]" 69 . 1 58 PHE C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -134.26 -94.26 -111.02 -112.77 -113.41 . . 0 "[ . 1 . 2]" 70 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 HIS N 105.29 145.29 133.56 126.33 141.02 . . 0 "[ . 1 . 2]" 71 . 1 59 VAL C 1 60 HIS N 1 60 HIS CA 1 60 HIS C -122.20 -82.20 -113.03 -116.06 -117.41 0.19 18 0 "[ . 1 . 2]" 72 . 1 60 HIS N 1 60 HIS CA 1 60 HIS C 1 61 PHE N 106.27 146.27 102.36 101.56 104.04 4.70 5 0 "[ . 1 . 2]" 73 . 1 63 ASN C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -76.98 -36.98 -61.89 -64.06 -57.53 . . 0 "[ . 1 . 2]" 74 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ALA N -56.46 -16.46 -42.52 -40.96 -41.24 . . 0 "[ . 1 . 2]" 75 . 1 64 ILE C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -80.93 -40.93 -70.20 -69.23 -70.10 . . 0 "[ . 1 . 2]" 76 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ALA N -57.64 -17.64 -30.09 -33.15 -27.38 . . 0 "[ . 1 . 2]" 77 . 1 65 ALA C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -83.25 -43.25 -60.40 -62.87 -57.27 . . 0 "[ . 1 . 2]" 78 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 ALA N -61.50 -21.50 -41.75 -44.12 -39.14 . . 0 "[ . 1 . 2]" 79 . 1 66 ALA C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -81.71 -41.71 -68.41 -67.96 -68.24 . . 0 "[ . 1 . 2]" 80 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 ILE N -62.51 -22.51 -41.25 -42.00 -39.58 . . 0 "[ . 1 . 2]" 81 . 1 67 ALA C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -84.41 -44.41 -56.64 -57.84 -55.89 . . 0 "[ . 1 . 2]" 82 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LYS N -60.71 -20.71 -60.68 -59.62 -59.89 1.70 7 0 "[ . 1 . 2]" 83 . 1 68 ILE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -84.41 -44.41 -61.99 -63.81 -59.81 . . 0 "[ . 1 . 2]" 84 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 ALA N -59.33 -19.33 -39.07 -40.33 -40.47 . . 0 "[ . 1 . 2]" 85 . 1 69 LYS C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -82.85 -42.85 -62.64 -62.14 -62.61 . . 0 "[ . 1 . 2]" 86 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 VAL N -60.56 -20.56 -49.06 -49.99 -47.90 . . 0 "[ . 1 . 2]" 87 . 1 70 ALA C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -84.65 -44.65 -65.96 -65.96 -66.18 . . 0 "[ . 1 . 2]" 88 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 GLN N -63.68 -23.68 -24.56 -27.19 -22.79 0.89 11 0 "[ . 1 . 2]" 89 . 1 71 VAL C 1 72 GLN N 1 72 GLN CA 1 72 GLN C -82.19 -42.19 -84.22 -85.06 -83.28 2.87 15 0 "[ . 1 . 2]" 90 . 1 72 GLN N 1 72 GLN CA 1 72 GLN C 1 73 GLU N -61.63 -21.63 -25.00 -24.61 -24.81 0.38 18 0 "[ . 1 . 2]" 91 . 1 72 GLN C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -94.81 -54.81 -94.50 -96.02 -89.50 1.21 10 0 "[ . 1 . 2]" 92 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 LEU N -48.59 -8.59 -32.46 -31.42 -31.43 . . 0 "[ . 1 . 2]" 93 . 1 73 GLU C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -76.47 -36.47 -52.07 -50.91 -51.57 . . 0 "[ . 1 . 2]" 94 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 PRO N -64.57 -24.57 -50.13 -52.55 -47.17 . . 0 "[ . 1 . 2]" 95 . 1 76 LEU C 1 77 ASN N 1 77 ASN CA 1 77 ASN C -104.59 -64.59 -106.32 -107.13 -105.15 2.54 18 0 "[ . 1 . 2]" 96 . 1 77 ASN N 1 77 ASN CA 1 77 ASN C 1 78 PRO N 107.36 147.36 148.95 147.99 145.89 2.61 5 0 "[ . 1 . 2]" 97 . 1 78 PRO N 1 78 PRO CA 1 78 PRO C 1 79 LYS N -53.24 -13.24 -36.02 -41.74 -26.65 . . 0 "[ . 1 . 2]" 98 . 1 78 PRO C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -85.99 -45.99 -85.51 -85.20 -85.99 0.95 6 0 "[ . 1 . 2]" 99 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 TRP N -43.67 -3.67 -44.95 -45.23 -45.64 2.63 1 0 "[ . 1 . 2]" 100 . 1 79 LYS C 1 80 TRP N 1 80 TRP CA 1 80 TRP C -88.53 -48.53 -76.12 -78.76 -82.52 . . 0 "[ . 1 . 2]" 101 . 1 80 TRP N 1 80 TRP CA 1 80 TRP C 1 81 SER N -56.49 -16.49 -28.74 -33.51 -24.12 . . 0 "[ . 1 . 2]" 102 . 1 80 TRP C 1 81 SER N 1 81 SER CA 1 81 SER C -86.05 -46.05 -65.47 -65.47 -65.58 . . 0 "[ . 1 . 2]" 103 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 LYS N -55.69 -15.69 -19.55 -24.29 -15.11 0.58 3 0 "[ . 1 . 2]" 104 . 1 81 SER C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -111.79 -71.79 -73.89 -72.70 -73.65 1.26 4 0 "[ . 1 . 2]" 105 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 ARG N -21.70 18.30 -15.09 -22.66 -6.20 0.96 2 0 "[ . 1 . 2]" 106 . 1 83 ARG C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -133.25 -93.25 -99.13 -94.21 -95.40 1.26 12 0 "[ . 1 . 2]" 107 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 ILE N 106.24 146.24 107.36 105.36 119.12 0.88 11 0 "[ . 1 . 2]" 108 . 1 84 ARG C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -134.29 -94.29 -117.13 -114.33 -115.24 . . 0 "[ . 1 . 2]" 109 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 TYR N 106.30 146.30 141.21 136.56 144.07 . . 0 "[ . 1 . 2]" 110 . 1 85 ILE C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -147.83 -107.83 -151.90 -152.85 -150.57 5.02 17 1 "[ . 1 . + 2]" 111 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 TYR N 127.51 167.51 168.89 168.79 167.99 2.65 5 0 "[ . 1 . 2]" 112 . 1 86 TYR C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -87.63 -47.63 -63.87 -65.42 -66.66 . . 0 "[ . 1 . 2]" 113 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 GLY N 116.16 156.16 126.96 132.59 127.87 1.16 9 0 "[ . 1 . 2]" 114 . 1 19 ARG N 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG -85.00 -35.00 -45.48 -51.90 -37.90 . . 0 "[ . 1 . 2]" 115 . 1 20 ASN N 1 20 ASN CA 1 20 ASN CB 1 20 ASN CG -85.00 -35.00 -80.23 -85.94 -69.57 0.94 9 0 "[ . 1 . 2]" 116 . 1 23 LEU N 1 23 LEU CA 1 23 LEU CB 1 23 LEU CG -85.00 -35.00 -76.62 -78.76 -81.90 . . 0 "[ . 1 . 2]" 117 . 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG -85.00 -35.00 -50.66 -48.97 -50.66 . . 0 "[ . 1 . 2]" 118 . 1 34 GLU N 1 34 GLU CA 1 34 GLU CB 1 34 GLU CG -85.00 -35.00 -63.56 -66.21 -61.29 . . 0 "[ . 1 . 2]" 119 . 1 40 GLU N 1 40 GLU CA 1 40 GLU CB 1 40 GLU CG -85.00 -35.00 -76.31 -82.90 -71.14 . . 0 "[ . 1 . 2]" 120 . 1 46 ASP N 1 46 ASP CA 1 46 ASP CB 1 46 ASP CG -85.00 -35.00 -87.04 -86.44 -86.52 3.09 17 0 "[ . 1 . 2]" 121 . 1 54 ARG N 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG -85.00 -35.00 -57.76 -66.63 -50.86 . . 0 "[ . 1 . 2]" 122 . 1 55 ASN N 1 55 ASN CA 1 55 ASN CB 1 55 ASN CG -85.00 -35.00 -61.91 -68.52 -57.74 . . 0 "[ . 1 . 2]" 123 . 1 58 PHE N 1 58 PHE CA 1 58 PHE CB 1 58 PHE CG -85.00 -35.00 -70.73 -69.84 -70.63 . . 0 "[ . 1 . 2]" 124 . 1 63 ASN N 1 63 ASN CA 1 63 ASN CB 1 63 ASN CG -85.00 -35.00 -59.72 -74.70 -51.98 . . 0 "[ . 1 . 2]" 125 . 1 72 GLN N 1 72 GLN CA 1 72 GLN CB 1 72 GLN CG -85.00 -35.00 -68.53 -70.44 -71.57 . . 0 "[ . 1 . 2]" 126 . 1 76 LEU N 1 76 LEU CA 1 76 LEU CB 1 76 LEU CG -85.00 -35.00 -52.90 -52.34 -52.78 . . 0 "[ . 1 . 2]" 127 . 1 77 ASN N 1 77 ASN CA 1 77 ASN CB 1 77 ASN CG -85.00 -35.00 -85.57 -86.12 -86.16 1.91 3 0 "[ . 1 . 2]" 128 . 1 79 LYS N 1 79 LYS CA 1 79 LYS CB 1 79 LYS CG -85.00 -35.00 -52.39 -57.30 -44.74 . . 0 "[ . 1 . 2]" 129 . 1 80 TRP N 1 80 TRP CA 1 80 TRP CB 1 80 TRP CG -85.00 -35.00 -47.61 -51.24 -44.98 . . 0 "[ . 1 . 2]" 130 . 1 82 LYS N 1 82 LYS CA 1 82 LYS CB 1 82 LYS CG -85.00 -35.00 -60.31 -59.16 -59.53 . . 0 "[ . 1 . 2]" 131 . 1 83 ARG N 1 83 ARG CA 1 83 ARG CB 1 83 ARG CG -85.00 -35.00 -70.81 -70.32 -70.59 . . 0 "[ . 1 . 2]" 132 . 1 84 ARG N 1 84 ARG CA 1 84 ARG CB 1 84 ARG CG -85.00 -35.00 -60.88 -76.56 -49.29 . . 0 "[ . 1 . 2]" 133 . 1 86 TYR N 1 86 TYR CA 1 86 TYR CB 1 86 TYR CG 35.00 85.00 49.35 43.66 58.52 . . 0 "[ . 1 . 2]" 134 . 1 87 TYR N 1 87 TYR CA 1 87 TYR CB 1 87 TYR CG -85.00 -35.00 -62.41 -62.79 -64.01 . . 0 "[ . 1 . 2]" 135 . 1 90 ASP N 1 90 ASP CA 1 90 ASP CB 1 90 ASP CG 155.00 -155.00 178.24 166.27 -172.90 . . 0 "[ . 1 . 2]" stop_ save_ save_dihedral_constraint_statistics_2 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 133 _TA_constraint_stats_list.Viol_count 447 _TA_constraint_stats_list.Viol_total 14594.01 _TA_constraint_stats_list.Viol_max 5.02 _TA_constraint_stats_list.Viol_rms 0.80 _TA_constraint_stats_list.Viol_average_all_restraints 0.27 _TA_constraint_stats_list.Viol_average_violations_only 1.63 _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 18 CYS N 1 18 CYS CA 1 18 CYS C 1 19 ARG N 150.21 -169.79 146.60 145.56 150.32 4.65 2 0 "[ . 1 . 2]" 2 . 1 19 ARG C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -137.92 -97.92 -105.34 -116.25 -97.50 0.43 18 0 "[ . 1 . 2]" 3 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 VAL N 107.80 147.80 105.83 105.60 105.34 3.14 17 0 "[ . 1 . 2]" 4 . 1 20 ASN C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -138.42 -98.42 -136.23 -136.14 -136.87 0.15 10 0 "[ . 1 . 2]" 5 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 PHE N 108.71 148.71 119.60 109.16 127.76 . . 0 "[ . 1 . 2]" 6 . 1 21 VAL C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -131.82 -91.82 -116.23 -116.92 -117.27 . . 0 "[ . 1 . 2]" 7 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 LEU N 105.19 145.19 125.14 121.37 131.73 . . 0 "[ . 1 . 2]" 8 . 1 22 PHE C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -139.06 -99.06 -108.13 -111.02 -112.86 . . 0 "[ . 1 . 2]" 9 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 GLY N 112.57 152.57 130.70 126.03 115.18 . . 0 "[ . 1 . 2]" 10 . 1 25 ASN C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -115.52 -75.52 -90.15 -89.96 -91.23 . . 0 "[ . 1 . 2]" 11 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 PRO N 125.10 165.10 160.41 155.60 165.20 0.10 12 0 "[ . 1 . 2]" 12 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 ASN N 129.03 169.03 164.21 161.47 156.09 0.84 19 0 "[ . 1 . 2]" 13 . 1 27 PRO C 1 28 ASN N 1 28 ASN CA 1 28 ASN C -78.08 -38.08 -76.20 -79.21 -66.31 1.13 12 0 "[ . 1 . 2]" 14 . 1 28 ASN N 1 28 ASN CA 1 28 ASN C 1 29 GLY N 115.17 155.17 125.33 116.17 134.58 . . 0 "[ . 1 . 2]" 15 . 1 28 ASN C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 67.78 107.78 106.08 107.79 106.94 1.94 20 0 "[ . 1 . 2]" 16 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 ILE N -27.89 12.11 -3.88 -6.29 -7.04 . . 0 "[ . 1 . 2]" 17 . 1 29 GLY C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -99.45 -59.45 -61.07 -68.23 -57.99 1.46 10 0 "[ . 1 . 2]" 18 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 THR N 109.67 149.67 128.07 129.01 128.69 . . 0 "[ . 1 . 2]" 19 . 1 30 ILE C 1 31 THR N 1 31 THR CA 1 31 THR C -113.52 -73.52 -113.22 -114.43 -109.22 0.92 8 0 "[ . 1 . 2]" 20 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 GLU N 144.32 -175.68 157.63 155.75 154.87 . . 0 "[ . 1 . 2]" 21 . 1 31 THR C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -81.42 -41.42 -61.89 -64.31 -57.88 . . 0 "[ . 1 . 2]" 22 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ASP N -59.22 -19.22 -37.95 -37.26 -38.04 . . 0 "[ . 1 . 2]" 23 . 1 32 GLU C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -83.46 -43.46 -51.36 -56.11 -42.75 0.71 18 0 "[ . 1 . 2]" 24 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 GLU N -58.10 -18.10 -37.64 -36.37 -36.81 . . 0 "[ . 1 . 2]" 25 . 1 33 ASP C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -87.48 -47.48 -68.83 -67.65 -68.16 . . 0 "[ . 1 . 2]" 26 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 ILE N -63.25 -23.25 -56.66 -60.54 -53.57 . . 0 "[ . 1 . 2]" 27 . 1 34 GLU C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -83.28 -43.28 -60.89 -61.45 -61.96 . . 0 "[ . 1 . 2]" 28 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 ARG N -61.81 -21.81 -41.33 -39.92 -40.56 . . 0 "[ . 1 . 2]" 29 . 1 35 ILE C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -81.17 -41.17 -54.77 -57.61 -52.19 . . 0 "[ . 1 . 2]" 30 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 GLU N -59.91 -19.91 -62.71 -64.12 -61.81 4.21 16 0 "[ . 1 . 2]" 31 . 1 36 ARG C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -85.39 -45.39 -58.20 -60.92 -55.68 . . 0 "[ . 1 . 2]" 32 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 ASP N -57.67 -17.67 -22.13 -18.03 -19.46 0.29 2 0 "[ . 1 . 2]" 33 . 1 37 GLU C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -97.23 -57.23 -87.32 -90.58 -83.22 . . 0 "[ . 1 . 2]" 34 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 LEU N -40.10 -0.10 -32.62 -35.20 -30.73 . . 0 "[ . 1 . 2]" 35 . 1 38 ASP C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -112.15 -72.15 -106.73 -108.43 -104.99 . . 0 "[ . 1 . 2]" 36 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 GLU N -36.69 3.32 -17.07 -12.16 -14.44 . . 0 "[ . 1 . 2]" 37 . 1 41 PRO C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -108.28 -68.28 -110.83 -110.21 -110.53 2.94 9 0 "[ . 1 . 2]" 38 . 1 42 PHE N 1 42 PHE CA 1 42 PHE C 1 43 GLY N -31.03 8.97 -6.23 -11.06 -12.82 . . 0 "[ . 1 . 2]" 39 . 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 ILE N 126.61 166.61 132.67 129.76 136.60 . . 0 "[ . 1 . 2]" 40 . 1 44 PRO C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -138.07 -98.07 -109.01 -109.99 -110.42 . . 0 "[ . 1 . 2]" 41 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 ASP N 111.71 151.71 150.72 149.92 148.95 1.24 6 0 "[ . 1 . 2]" 42 . 1 45 ILE C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -119.70 -79.70 -110.88 -116.10 -104.54 . . 0 "[ . 1 . 2]" 43 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 GLN N -35.66 4.34 -23.44 -28.80 -14.73 . . 0 "[ . 1 . 2]" 44 . 1 46 ASP C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -159.32 -119.32 -142.40 -151.66 -135.23 . . 0 "[ . 1 . 2]" 45 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 ILE N 118.86 158.86 121.84 126.83 122.85 . . 0 "[ . 1 . 2]" 46 . 1 47 GLN C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -139.73 -99.73 -135.76 -139.52 -131.52 . . 0 "[ . 1 . 2]" 47 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 LYS N 106.03 146.03 109.87 111.89 111.14 0.50 13 0 "[ . 1 . 2]" 48 . 1 48 ILE C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -137.81 -97.81 -115.47 -125.35 -106.58 . . 0 "[ . 1 . 2]" 49 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 ILE N 108.62 148.62 113.00 115.72 113.79 1.16 18 0 "[ . 1 . 2]" 50 . 1 49 LYS C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -118.64 -78.64 -102.94 -111.85 -98.85 . . 0 "[ . 1 . 2]" 51 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 VAL N 102.90 142.90 120.80 125.43 124.10 . . 0 "[ . 1 . 2]" 52 . 1 50 ILE C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -109.41 -69.41 -102.93 -110.57 -94.08 1.16 19 0 "[ . 1 . 2]" 53 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 THR N 88.70 128.70 87.20 85.51 88.29 3.19 2 0 "[ . 1 . 2]" 54 . 1 51 VAL C 1 52 THR N 1 52 THR CA 1 52 THR C -81.30 -41.30 -67.06 -71.75 -62.48 . . 0 "[ . 1 . 2]" 55 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 GLU N -49.47 -9.47 -19.52 -21.03 -22.22 . . 0 "[ . 1 . 2]" 56 . 1 52 THR C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -88.52 -48.52 -62.32 -69.02 -55.59 . . 0 "[ . 1 . 2]" 57 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ARG N -42.34 -2.34 -33.10 -41.83 -21.49 . . 0 "[ . 1 . 2]" 58 . 1 53 GLU C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -119.85 -79.85 -114.78 -113.91 -114.94 0.37 7 0 "[ . 1 . 2]" 59 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 ASN N -16.46 23.54 3.02 -2.73 8.79 . . 0 "[ . 1 . 2]" 60 . 1 54 ARG C 1 55 ASN N 1 55 ASN CA 1 55 ASN C 41.85 81.85 66.39 68.06 67.66 . . 0 "[ . 1 . 2]" 61 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 ILE N 21.81 61.81 27.37 23.70 30.56 . . 0 "[ . 1 . 2]" 62 . 1 55 ASN C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -163.32 -123.31 -122.16 -122.43 -122.73 2.03 15 0 "[ . 1 . 2]" 63 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 ALA N 146.33 -173.67 152.22 148.90 157.24 . . 0 "[ . 1 . 2]" 64 . 1 56 ILE C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -156.99 -117.00 -143.43 -143.19 -143.70 . . 0 "[ . 1 . 2]" 65 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 PHE N 121.52 161.52 138.52 139.47 138.80 . . 0 "[ . 1 . 2]" 66 . 1 57 ALA C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -141.61 -101.61 -108.57 -112.73 -103.91 . . 0 "[ . 1 . 2]" 67 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 VAL N 106.15 146.15 114.83 108.05 120.79 . . 0 "[ . 1 . 2]" 68 . 1 58 PHE C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -134.26 -94.26 -111.02 -112.77 -113.41 . . 0 "[ . 1 . 2]" 69 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 HIS N 105.29 145.29 133.56 126.33 141.02 . . 0 "[ . 1 . 2]" 70 . 1 59 VAL C 1 60 HIS N 1 60 HIS CA 1 60 HIS C -122.20 -82.20 -113.03 -116.06 -117.41 0.19 18 0 "[ . 1 . 2]" 71 . 1 60 HIS N 1 60 HIS CA 1 60 HIS C 1 61 PHE N 106.27 146.27 102.36 101.56 104.04 4.70 5 0 "[ . 1 . 2]" 72 . 1 63 ASN C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -76.98 -36.98 -61.89 -64.06 -57.53 . . 0 "[ . 1 . 2]" 73 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ALA N -56.46 -16.46 -42.52 -40.96 -41.24 . . 0 "[ . 1 . 2]" 74 . 1 64 ILE C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -80.93 -40.93 -70.20 -69.23 -70.10 . . 0 "[ . 1 . 2]" 75 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ALA N -57.64 -17.64 -30.09 -33.15 -27.38 . . 0 "[ . 1 . 2]" 76 . 1 65 ALA C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -83.25 -43.25 -60.40 -62.87 -57.27 . . 0 "[ . 1 . 2]" 77 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 ALA N -61.50 -21.50 -41.75 -44.12 -39.14 . . 0 "[ . 1 . 2]" 78 . 1 66 ALA C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -81.71 -41.71 -68.41 -67.96 -68.24 . . 0 "[ . 1 . 2]" 79 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 ILE N -62.51 -22.51 -41.25 -42.00 -39.58 . . 0 "[ . 1 . 2]" 80 . 1 67 ALA C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -84.41 -44.41 -56.64 -57.84 -55.89 . . 0 "[ . 1 . 2]" 81 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LYS N -60.71 -20.71 -60.68 -59.62 -59.89 1.70 7 0 "[ . 1 . 2]" 82 . 1 68 ILE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -84.41 -44.41 -61.99 -63.81 -59.81 . . 0 "[ . 1 . 2]" 83 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 ALA N -59.33 -19.33 -39.07 -40.33 -40.47 . . 0 "[ . 1 . 2]" 84 . 1 69 LYS C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -82.85 -42.85 -62.64 -62.14 -62.61 . . 0 "[ . 1 . 2]" 85 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 VAL N -60.56 -20.56 -49.06 -49.99 -47.90 . . 0 "[ . 1 . 2]" 86 . 1 70 ALA C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -84.65 -44.65 -65.96 -65.96 -66.18 . . 0 "[ . 1 . 2]" 87 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 GLN N -63.68 -23.68 -24.56 -27.19 -22.79 0.89 11 0 "[ . 1 . 2]" 88 . 1 71 VAL C 1 72 GLN N 1 72 GLN CA 1 72 GLN C -82.19 -42.19 -84.22 -85.06 -83.28 2.87 15 0 "[ . 1 . 2]" 89 . 1 72 GLN N 1 72 GLN CA 1 72 GLN C 1 73 GLU N -61.63 -21.63 -25.00 -24.61 -24.81 0.38 18 0 "[ . 1 . 2]" 90 . 1 72 GLN C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -94.81 -54.81 -94.50 -96.02 -89.50 1.21 10 0 "[ . 1 . 2]" 91 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 LEU N -48.59 -8.59 -32.46 -31.42 -31.43 . . 0 "[ . 1 . 2]" 92 . 1 73 GLU C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -76.47 -36.47 -52.07 -50.91 -51.57 . . 0 "[ . 1 . 2]" 93 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 PRO N -64.57 -24.57 -50.13 -52.55 -47.17 . . 0 "[ . 1 . 2]" 94 . 1 76 LEU C 1 77 ASN N 1 77 ASN CA 1 77 ASN C -104.59 -64.59 -106.32 -107.13 -105.15 2.54 18 0 "[ . 1 . 2]" 95 . 1 77 ASN N 1 77 ASN CA 1 77 ASN C 1 78 PRO N 107.36 147.36 148.95 147.99 145.89 2.61 5 0 "[ . 1 . 2]" 96 . 1 78 PRO N 1 78 PRO CA 1 78 PRO C 1 79 LYS N -53.24 -13.24 -36.02 -41.74 -26.65 . . 0 "[ . 1 . 2]" 97 . 1 78 PRO C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -85.99 -45.99 -85.51 -85.20 -85.99 0.95 6 0 "[ . 1 . 2]" 98 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 TRP N -43.67 -3.67 -44.95 -45.23 -45.64 2.63 1 0 "[ . 1 . 2]" 99 . 1 79 LYS C 1 80 TRP N 1 80 TRP CA 1 80 TRP C -88.53 -48.53 -76.12 -78.76 -82.52 . . 0 "[ . 1 . 2]" 100 . 1 80 TRP N 1 80 TRP CA 1 80 TRP C 1 81 SER N -56.49 -16.49 -28.74 -33.51 -24.12 . . 0 "[ . 1 . 2]" 101 . 1 80 TRP C 1 81 SER N 1 81 SER CA 1 81 SER C -86.05 -46.05 -65.47 -65.47 -65.58 . . 0 "[ . 1 . 2]" 102 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 LYS N -55.69 -15.69 -19.55 -24.29 -15.11 0.58 3 0 "[ . 1 . 2]" 103 . 1 81 SER C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -111.79 -71.79 -73.89 -72.70 -73.65 1.26 4 0 "[ . 1 . 2]" 104 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 ARG N -21.70 18.30 -15.09 -22.66 -6.20 0.96 2 0 "[ . 1 . 2]" 105 . 1 83 ARG C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -133.25 -93.25 -99.13 -94.21 -95.40 1.26 12 0 "[ . 1 . 2]" 106 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 ILE N 106.24 146.24 107.36 105.36 119.12 0.88 11 0 "[ . 1 . 2]" 107 . 1 84 ARG C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -134.29 -94.29 -117.13 -114.33 -115.24 . . 0 "[ . 1 . 2]" 108 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 TYR N 106.30 146.30 141.21 136.56 144.07 . . 0 "[ . 1 . 2]" 109 . 1 85 ILE C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -147.83 -107.83 -151.90 -152.85 -150.57 5.02 17 1 "[ . 1 . + 2]" 110 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 TYR N 127.51 167.51 168.89 168.79 167.99 2.65 5 0 "[ . 1 . 2]" 111 . 1 86 TYR C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -87.63 -47.63 -63.87 -65.42 -66.66 . . 0 "[ . 1 . 2]" 112 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 GLY N 116.16 156.16 126.96 132.59 127.87 1.16 9 0 "[ . 1 . 2]" 113 . 1 19 ARG N 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG -85.00 -35.00 -45.48 -51.90 -37.90 . . 0 "[ . 1 . 2]" 114 . 1 20 ASN N 1 20 ASN CA 1 20 ASN CB 1 20 ASN CG -85.00 -35.00 -80.23 -85.94 -69.57 0.94 9 0 "[ . 1 . 2]" 115 . 1 23 LEU N 1 23 LEU CA 1 23 LEU CB 1 23 LEU CG -85.00 -35.00 -76.62 -78.76 -81.90 . . 0 "[ . 1 . 2]" 116 . 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG -85.00 -35.00 -50.66 -48.97 -50.66 . . 0 "[ . 1 . 2]" 117 . 1 34 GLU N 1 34 GLU CA 1 34 GLU CB 1 34 GLU CG -85.00 -35.00 -63.56 -66.21 -61.29 . . 0 "[ . 1 . 2]" 118 . 1 40 GLU N 1 40 GLU CA 1 40 GLU CB 1 40 GLU CG -85.00 -35.00 -76.31 -82.90 -71.14 . . 0 "[ . 1 . 2]" 119 . 1 46 ASP N 1 46 ASP CA 1 46 ASP CB 1 46 ASP CG -85.00 -35.00 -87.04 -86.44 -86.52 3.09 17 0 "[ . 1 . 2]" 120 . 1 54 ARG N 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG -85.00 -35.00 -57.76 -66.63 -50.86 . . 0 "[ . 1 . 2]" 121 . 1 55 ASN N 1 55 ASN CA 1 55 ASN CB 1 55 ASN CG -85.00 -35.00 -61.91 -68.52 -57.74 . . 0 "[ . 1 . 2]" 122 . 1 58 PHE N 1 58 PHE CA 1 58 PHE CB 1 58 PHE CG -85.00 -35.00 -70.73 -69.84 -70.63 . . 0 "[ . 1 . 2]" 123 . 1 63 ASN N 1 63 ASN CA 1 63 ASN CB 1 63 ASN CG -85.00 -35.00 -59.72 -74.70 -51.98 . . 0 "[ . 1 . 2]" 124 . 1 72 GLN N 1 72 GLN CA 1 72 GLN CB 1 72 GLN CG -85.00 -35.00 -68.53 -70.44 -71.57 . . 0 "[ . 1 . 2]" 125 . 1 76 LEU N 1 76 LEU CA 1 76 LEU CB 1 76 LEU CG -85.00 -35.00 -52.90 -52.34 -52.78 . . 0 "[ . 1 . 2]" 126 . 1 77 ASN N 1 77 ASN CA 1 77 ASN CB 1 77 ASN CG -85.00 -35.00 -85.57 -86.12 -86.16 1.91 3 0 "[ . 1 . 2]" 127 . 1 79 LYS N 1 79 LYS CA 1 79 LYS CB 1 79 LYS CG -85.00 -35.00 -52.39 -57.30 -44.74 . . 0 "[ . 1 . 2]" 128 . 1 82 LYS N 1 82 LYS CA 1 82 LYS CB 1 82 LYS CG -85.00 -35.00 -60.31 -59.16 -59.53 . . 0 "[ . 1 . 2]" 129 . 1 83 ARG N 1 83 ARG CA 1 83 ARG CB 1 83 ARG CG -85.00 -35.00 -70.81 -70.32 -70.59 . . 0 "[ . 1 . 2]" 130 . 1 84 ARG N 1 84 ARG CA 1 84 ARG CB 1 84 ARG CG -85.00 -35.00 -60.88 -76.56 -49.29 . . 0 "[ . 1 . 2]" 131 . 1 86 TYR N 1 86 TYR CA 1 86 TYR CB 1 86 TYR CG 35.00 85.00 49.35 43.66 58.52 . . 0 "[ . 1 . 2]" 132 . 1 87 TYR N 1 87 TYR CA 1 87 TYR CB 1 87 TYR CG -85.00 -35.00 -62.41 -62.79 -64.01 . . 0 "[ . 1 . 2]" 133 . 1 90 ASP N 1 90 ASP CA 1 90 ASP CB 1 90 ASP CG 155.00 -155.00 178.24 166.27 -172.90 . . 0 "[ . 1 . 2]" stop_ save_
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