data_1it5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1it5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 120.801 0.334 . . . . 18.93 110.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.98 155.48 49.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-O 121.734 0.639 . . . . 14.220000000000001 113.182 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 115.509 1.67 . . . . 14.119999999999999 115.509 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -93.02 15.54 14.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 115.51 1.67 . . . . 16.34 115.51 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -55.48 -45.42 99.87 Favored Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 113.146 0.795 . . . . 13.449999999999999 113.146 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.94 -36.58 96.61 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 118.651 -0.433 . . . . 11.75 113.168 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.72 -36.8 65.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.319 -0.4 . . . . 23.57 111.224 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.83 -42.67 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.318 -0.993 . . . . 10.48 108.318 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.99 -38.18 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 11.380000000000001 110.479 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.01 87.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.137 -0.69 . . . . 8.6500000000000004 109.137 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -62.5 -30.39 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.342 0.867 . . . . 11.470000000000001 113.342 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -84.66 -8.33 58.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.55 0.574 . . . . 10.48 112.55 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.499 ' HG1' HH21 ' A' ' 83' ' ' ARG . 81.8 p -123.02 34.63 5.08 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 117.902 2.556 . . . . 8.8499999999999996 117.902 -175.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 98.9 mm-40 -96.62 162.83 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.381 -1.34 . . . . 10.68 107.381 178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' A' ' 90' ' ' GLU . 76.2 p -77.22 -14.56 59.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.434 1.272 . . . . 10.6 114.434 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 99.4 p -67.49 158.14 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 115.05 1.5 . . . . 12.69 115.05 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.35 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.198 -0.91 . . . . 8.5 109.409 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.5 p -65.13 -33.8 76.89 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 121.027 -0.269 . . . . 10.460000000000001 111.636 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 14' ' ' GLN . 33.0 t -70.0 -43.04 72.22 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.503 -0.925 . . . . 8.1500000000000004 108.503 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.64 -40.13 94.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.023 -0.671 . . . . 9.4499999999999993 110.294 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.0 -37.24 87.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 12.949999999999999 111.313 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.82 78.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.48 -0.933 . . . . 9.2300000000000004 108.48 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.2 -39.32 86.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 10.539999999999999 111.766 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.89 -40.55 93.48 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.915 -0.314 . . . . 14.02 111.239 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.94 89.1 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.72 -0.474 . . . . 9.4499999999999993 109.72 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.8 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.939 0.4 . . . . 7.6900000000000004 110.091 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -58.51 -35.54 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 12.15 110.794 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -80.86 -14.45 58.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.085 -0.507 . . . . 28.140000000000001 111.273 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -133.03 47.49 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.331 -0.618 . . . . 15.51 109.331 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -51.71 -40.05 59.46 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 114.354 1.242 . . . . 11.76 114.354 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.4 p -58.95 -31.41 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.268 0.84 . . . . 13.970000000000001 113.268 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.98 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.16 -0.311 . . . . 13.19 110.16 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -108.13 12.79 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.988 0.736 . . . . 15.34 112.988 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.83 -34.22 39.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 114.511 1.301 . . . . 10.76 114.511 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.32 67.12 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.232 0.456 . . . . 10.51 112.232 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -79.49 -13.97 59.2 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 116.02 1.859 . . . . 11.789999999999999 116.02 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 49.05 50.33 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.976 0.732 . . . . 23.670000000000002 112.976 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.98 156.19 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.447 -0.945 . . . . 10.710000000000001 108.447 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -88.82 109.68 20.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 103.843 -2.651 . . . . 11.109999999999999 103.843 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -98.81 13.23 33.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.465 0.913 . . . . 11.09 113.465 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.835 ' HG ' HH11 ' A' ' 69' ' ' ARG . 54.7 p -77.59 143.01 38.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 11.640000000000001 111.211 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -153.71 149.94 28.02 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.861 -0.609 . . . . 12.279999999999999 111.095 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -105.55 9.3 33.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.277 -1.379 . . . . 24.66 107.277 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HB3' ' H ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 57.16 -138.66 0.93 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.127 -1.805 . . . . 15.77 106.127 -177.346 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' H ' ' HB3' ' A' ' 44' ' ' LEU . 60.1 m -99.9 23.8 9.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.33 1.233 . . . . 12.42 114.33 -179.681 -55.574 -54.074 107.233 105.048 2.025 102.519 134.508 -71.981 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.6 p -66.66 -22.24 66.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.57 1.322 . . . . 19.329999999999998 114.57 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.22 15.37 28.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.142 0.496 . . . . 28.640000000000001 110.894 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.07 169.26 8.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 13.710000000000001 110.034 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 114' ' ' TYR . 16.6 Cg_exo -67.63 175.64 5.94 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 120.682 0.921 . . . . 12.93 110.745 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 152.63 22.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.43 0.633 . . . . 24.32 112.096 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.624 ' HB2' ' HH ' ' A' ' 114' ' ' TYR . 62.5 t-20 -134.4 73.3 69.0 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 103.918 -2.623 . . . . 13.19 103.918 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -54.49 -32.71 74.83 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.306 2.67 . . . . 13.859999999999999 117.769 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 30.8 m-85 -95.63 -0.67 51.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.225 0.824 . . . . 21.890000000000001 113.225 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.65 42.86 99.64 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 119.287 2.475 . . . . 11.19 119.287 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 107' ' ' CYS . 67.8 m-85 -70.85 140.88 86.56 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 106.994 -1.484 . . . . 9.7300000000000004 106.994 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.03 83.44 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.11 2.54 . . . . 10.32 114.347 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -102.76 0.69 33.23 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 114.075 1.139 . . . . 12.220000000000001 114.075 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -48.01 -47.69 33.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.882 1.438 . . . . 15.27 114.882 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -67.33 -29.2 68.7 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.298 0.481 . . . . 16.199999999999999 112.298 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.03 71.07 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 105.639 -1.985 . . . . 8.2100000000000009 105.639 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.57 -41.47 97.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.669 . . . . 9.1099999999999994 111.921 179.317 -71.981 134.508 107.233 102.519 2.025 105.048 -54.074 -55.574 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.57 95.12 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.397 0.517 . . . . 7.8499999999999996 112.397 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -68.8 -30.75 69.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 119.932 -0.707 . . . . 8.8000000000000007 110.518 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.73 -40.5 79.85 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.403 -0.962 . . . . 7.7400000000000002 108.403 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -63.11 -43.05 99.55 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.519 -0.919 . . . . 11.27 108.519 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -57.29 -49.7 75.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 9.3000000000000007 110.133 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.34 79.62 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.616 -0.802 . . . . 7.8600000000000003 113.328 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -59.74 -56.54 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.434 0.531 . . . . 12.640000000000001 112.434 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.835 HH11 ' HG ' ' A' ' 41' ' ' SER . 8.0 mtt180 -58.78 -42.38 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 115.4 1.63 . . . . 16.440000000000001 115.4 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -77.63 -29.29 51.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.009 1.114 . . . . 10.69 114.009 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.19 -26.35 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 118.461 -1.295 . . . . 11.1 108.749 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -72.45 -36.22 68.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.036 -1.468 . . . . 24.300000000000001 107.036 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.23 66.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.672 0.272 . . . . 13.460000000000001 111.237 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.67 -5.9 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.331 . . . . 13.960000000000001 110.964 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.47 71.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.633 -0.794 . . . . 14.75 114.3 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.7 p -137.14 47.69 2.1 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.688 -0.486 . . . . 19.02 109.688 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -75.7 -52.11 11.22 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 116.458 2.021 . . . . 14.59 116.458 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -49.93 -38.53 36.67 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 116.467 2.025 . . . . 27.399999999999999 116.467 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.62 -14.68 57.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.569 1.322 . . . . 15.5 114.569 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.571 ' O ' HG12 ' A' ' 84' ' ' ILE . 60.9 m-80 -111.72 -9.33 14.12 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.846 1.054 . . . . 11.84 113.846 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -52.86 -44.92 67.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.963 1.097 . . . . 11.52 113.963 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -49.32 76.98 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.087 1.143 . . . . 19.18 114.087 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.499 HH21 ' HG1' ' A' ' 13' ' ' THR . 36.1 ttp-105 -64.3 -40.77 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 11.640000000000001 111.021 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 80' ' ' ASN . 30.2 mm -63.21 -42.11 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 13.01 110.041 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.02 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.533 -0.543 . . . . 8.8599999999999994 109.533 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.4 m -66.32 -39.5 89.32 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.428 0.529 . . . . 11.869999999999999 112.428 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.4 87.11 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.265 -0.642 . . . . 7.6500000000000004 109.265 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -60.82 -47.43 86.4 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.296 -1.001 . . . . 8.8399999999999999 108.296 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.407 ' HB2' ' CD1' ' A' ' 115' ' ' TYR . 3.5 t80 -62.25 -43.67 98.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.853 -0.612 . . . . 17.48 110.562 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HG3' ' HB ' ' A' ' 15' ' ' THR . 76.5 mm-40 -65.07 -37.6 88.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.832 -0.167 . . . . 17.91 111.388 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -63.87 -41.18 97.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.134 0.492 . . . . 8.1899999999999995 109.695 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 75.8 mtm -69.1 -39.13 79.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 8.5199999999999996 110.827 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -63.61 -32.21 73.61 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.643 -0.423 . . . . 18.190000000000001 111.017 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -63.75 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.031 -0.729 . . . . 11.99 109.031 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.15 -46.44 93.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.525 -0.917 . . . . 12.56 108.525 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 70.2 m -61.08 -25.78 67.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 116.792 2.145 . . . . 9.8399999999999999 116.792 -178.467 -58.474 -48.974 -75.335 103.92 2.032 103.734 -82.931 -174.447 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.8 p -67.41 -8.67 34.87 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.232 -0.587 . . . . 13.869999999999999 111.639 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.48 -0.51 88.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 14.380000000000001 111.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.88 156.76 31.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.672 0.272 . . . . 23.609999999999999 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 p -127.2 167.21 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.148 0.499 . . . . 11.65 109.923 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 58.21 -144.08 42.94 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.675 -0.774 . . . . 9.3100000000000005 114.534 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.44 -44.3 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.146 0.795 . . . . 14.06 113.146 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.486 ' HZ3' ' HG2' ' A' ' 103' ' ' LYS . 3.8 mttm -58.69 -40.05 82.48 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.933 0.397 . . . . 28.890000000000001 112.033 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -44.83 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.046 -0.724 . . . . 11.06 109.046 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.0 m -66.76 -40.01 88.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.707 -0.224 . . . . 11.119999999999999 111.171 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.39 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.429 . . . . 8.6500000000000004 109.862 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.431 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.5 t -65.57 -46.38 79.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 9.0899999999999999 110.062 179.681 -174.447 -82.931 -75.335 103.734 2.032 103.92 -48.974 -58.474 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -64.78 -31.87 73.29 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.386 . . . . 15.31 111.351 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.8 t -68.86 -39.77 79.68 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.944 0.402 . . . . 15.66 110.625 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -69.54 -40.53 76.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.417 -0.957 . . . . 9.8000000000000007 108.417 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.07 91.84 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.493 -0.558 . . . . 7.6500000000000004 109.493 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -65.01 -41.07 95.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.91 0.386 . . . . 19.289999999999999 110.511 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.9 m -63.43 -40.13 96.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 12.130000000000001 111.198 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.624 ' HH ' ' HB2' ' A' ' 51' ' ' ASN . 2.6 m-85 -65.17 -46.16 81.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 11.66 108.999 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 89' ' ' TYR . 59.4 t80 -60.23 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.427 -0.806 . . . . 13.77 111.453 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -63.62 -30.6 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.664 0.616 . . . . 18.809999999999999 112.664 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -17.67 62.67 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.013 0.746 . . . . 10.02 113.013 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.3 m -104.66 -27.04 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 108.71 -0.848 . . . . 12.56 108.71 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -68.62 -23.7 64.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 21.120000000000001 110.004 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.617 HD13 ' O ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -64.64 -22.13 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.748 0.648 . . . . 19.27 112.748 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -80.71 -11.23 59.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.287 0.847 . . . . 17.079999999999998 113.287 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.362 0 C-N-CA 120.05 -1.071 . . . . 25.309999999999999 115.34 179.292 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 120.801 0.334 . . . . 18.93 110.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.98 155.48 49.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-O 121.734 0.639 . . . . 14.220000000000001 113.182 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 115.509 1.67 . . . . 14.119999999999999 115.509 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -93.02 15.54 14.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 115.51 1.67 . . . . 16.34 115.51 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -55.48 -45.42 99.87 Favored Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 113.146 0.795 . . . . 13.449999999999999 113.146 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.94 -36.58 96.61 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 118.651 -0.433 . . . . 11.75 113.168 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.72 -36.8 65.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.319 -0.4 . . . . 23.57 111.224 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.83 -42.67 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.318 -0.993 . . . . 10.48 108.318 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.99 -38.18 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 11.380000000000001 110.479 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.01 87.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.137 -0.69 . . . . 8.6500000000000004 109.137 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -62.5 -30.39 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.342 0.867 . . . . 11.470000000000001 113.342 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -84.66 -8.33 58.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.55 0.574 . . . . 10.48 112.55 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 84' ' ' ILE . 81.8 p -123.02 34.63 5.08 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 117.902 2.556 . . . . 8.8499999999999996 117.902 -175.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 98.9 mm-40 -96.62 162.83 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.381 -1.34 . . . . 10.68 107.381 178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.476 ' HB ' ' HG3' ' A' ' 90' ' ' GLU . 76.2 p -77.22 -14.56 59.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.434 1.272 . . . . 10.6 114.434 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 99.4 p -67.49 158.14 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 115.05 1.5 . . . . 12.69 115.05 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.35 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.198 -0.91 . . . . 8.5 109.409 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.5 p -65.13 -33.8 76.89 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 121.027 -0.269 . . . . 10.460000000000001 111.636 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' HB2' ' HB2' ' A' ' 14' ' ' GLN . 33.0 t -70.0 -43.04 72.22 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.503 -0.925 . . . . 8.1500000000000004 108.503 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.64 -40.13 94.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.023 -0.671 . . . . 9.4499999999999993 110.294 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.0 -37.24 87.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 12.949999999999999 111.313 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.82 78.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.48 -0.933 . . . . 9.2300000000000004 108.48 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.2 -39.32 86.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 10.539999999999999 111.766 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.89 -40.55 93.48 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.915 -0.314 . . . . 14.02 111.239 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.94 89.1 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.72 -0.474 . . . . 9.4499999999999993 109.72 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.8 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.939 0.4 . . . . 7.6900000000000004 110.091 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -58.51 -35.54 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 12.15 110.794 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -80.86 -14.45 58.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.085 -0.507 . . . . 28.140000000000001 111.273 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -133.03 47.49 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.331 -0.618 . . . . 15.51 109.331 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -51.71 -40.05 59.46 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 114.354 1.242 . . . . 11.76 114.354 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.4 p -58.95 -31.41 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.268 0.84 . . . . 13.970000000000001 113.268 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.98 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.16 -0.311 . . . . 13.19 110.16 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -108.13 12.79 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.988 0.736 . . . . 15.34 112.988 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.83 -34.22 39.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 114.511 1.301 . . . . 10.76 114.511 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.32 67.12 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.232 0.456 . . . . 10.51 112.232 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -79.49 -13.97 59.2 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 116.02 1.859 . . . . 11.789999999999999 116.02 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 49.05 50.33 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.976 0.732 . . . . 23.670000000000002 112.976 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.98 156.19 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.447 -0.945 . . . . 10.710000000000001 108.447 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -88.82 109.68 20.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 103.843 -2.651 . . . . 11.109999999999999 103.843 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -98.81 13.23 33.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.465 0.913 . . . . 11.09 113.465 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.7 p -77.59 143.01 38.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 11.640000000000001 111.211 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -153.71 149.94 28.02 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.861 -0.609 . . . . 12.279999999999999 111.095 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -105.55 9.3 33.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.277 -1.379 . . . . 24.66 107.277 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HB3' ' H ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 57.16 -138.66 0.93 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.127 -1.805 . . . . 15.77 106.127 -177.346 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.433 ' H ' ' HB3' ' A' ' 44' ' ' LEU . 60.1 m -99.9 23.8 9.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.33 1.233 . . . . 12.42 114.33 -179.681 -55.574 -54.074 107.233 105.048 2.025 102.519 134.508 -71.981 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.6 p -66.66 -22.24 66.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.57 1.322 . . . . 19.329999999999998 114.57 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.22 15.37 28.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.142 0.496 . . . . 28.640000000000001 110.894 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.07 169.26 8.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 13.710000000000001 110.034 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 114' ' ' TYR . 16.6 Cg_exo -67.63 175.64 5.94 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 120.682 0.921 . . . . 12.93 110.745 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 152.63 22.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.43 0.633 . . . . 24.32 112.096 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -134.4 73.3 69.0 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 103.918 -2.623 . . . . 13.19 103.918 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -54.49 -32.71 74.83 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.306 2.67 . . . . 13.859999999999999 117.769 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -95.63 -0.67 51.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.225 0.824 . . . . 21.890000000000001 113.225 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.65 42.86 99.64 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 119.287 2.475 . . . . 11.19 119.287 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 107' ' ' CYS . 67.8 m-85 -70.85 140.88 86.56 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 106.994 -1.484 . . . . 9.7300000000000004 106.994 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.03 83.44 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.11 2.54 . . . . 10.32 114.347 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -102.76 0.69 33.23 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 114.075 1.139 . . . . 12.220000000000001 114.075 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -48.01 -47.69 33.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.882 1.438 . . . . 15.27 114.882 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -67.33 -29.2 68.7 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.298 0.481 . . . . 16.199999999999999 112.298 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.03 71.07 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 105.639 -1.985 . . . . 8.2100000000000009 105.639 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.57 -41.47 97.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.669 . . . . 9.1099999999999994 111.921 179.317 -71.981 134.508 107.233 102.519 2.025 105.048 -54.074 -55.574 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.57 95.12 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.397 0.517 . . . . 7.8499999999999996 112.397 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -68.8 -30.75 69.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 119.932 -0.707 . . . . 8.8000000000000007 110.518 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.73 -40.5 79.85 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.403 -0.962 . . . . 7.7400000000000002 108.403 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -63.11 -43.05 99.55 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.519 -0.919 . . . . 11.27 108.519 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -57.29 -49.7 75.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 9.3000000000000007 110.133 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.34 79.62 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.616 -0.802 . . . . 7.8600000000000003 113.328 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -59.74 -56.54 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.434 0.531 . . . . 12.640000000000001 112.434 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.78 -42.38 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 115.4 1.63 . . . . 16.440000000000001 115.4 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -77.63 -29.29 51.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.009 1.114 . . . . 10.69 114.009 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.19 -26.35 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 118.461 -1.295 . . . . 11.1 108.749 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -72.45 -36.22 68.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.036 -1.468 . . . . 24.300000000000001 107.036 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.23 66.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.672 0.272 . . . . 13.460000000000001 111.237 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.67 -5.9 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.331 . . . . 13.960000000000001 110.964 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.47 71.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.633 -0.794 . . . . 14.75 114.3 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.7 p -137.14 47.69 2.1 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.688 -0.486 . . . . 19.02 109.688 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -75.7 -52.11 11.22 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 116.458 2.021 . . . . 14.59 116.458 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -49.93 -38.53 36.67 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 116.467 2.025 . . . . 27.399999999999999 116.467 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.62 -14.68 57.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.569 1.322 . . . . 15.5 114.569 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.576 ' O ' HG12 ' A' ' 84' ' ' ILE . 60.9 m-80 -111.72 -9.33 14.12 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.846 1.054 . . . . 11.84 113.846 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -52.86 -44.92 67.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.963 1.097 . . . . 11.52 113.963 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -49.32 76.98 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.087 1.143 . . . . 19.18 114.087 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -64.3 -40.77 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 11.640000000000001 111.021 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 80' ' ' ASN . 30.2 mm -63.21 -42.11 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 13.01 110.041 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.02 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.533 -0.543 . . . . 8.8599999999999994 109.533 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.4 m -66.32 -39.5 89.32 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.428 0.529 . . . . 11.869999999999999 112.428 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.4 87.11 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.265 -0.642 . . . . 7.6500000000000004 109.265 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -60.82 -47.43 86.4 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.296 -1.001 . . . . 8.8399999999999999 108.296 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.405 ' HB2' ' CD1' ' A' ' 115' ' ' TYR . 3.5 t80 -62.25 -43.67 98.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.853 -0.612 . . . . 17.48 110.562 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' HG3' ' HB ' ' A' ' 15' ' ' THR . 76.5 mm-40 -65.07 -37.6 88.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.832 -0.167 . . . . 17.91 111.388 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -63.87 -41.18 97.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.134 0.492 . . . . 8.1899999999999995 109.695 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 75.8 mtm -69.1 -39.13 79.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 8.5199999999999996 110.827 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -63.61 -32.21 73.61 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.643 -0.423 . . . . 18.190000000000001 111.017 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -63.75 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.031 -0.729 . . . . 11.99 109.031 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.15 -46.44 93.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.525 -0.917 . . . . 12.56 108.525 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 70.2 m -61.08 -25.78 67.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 116.792 2.145 . . . . 9.8399999999999999 116.792 -178.467 -58.474 -48.974 -75.335 103.92 2.032 103.734 -82.931 -174.447 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.8 p -67.41 -8.67 34.87 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.232 -0.587 . . . . 13.869999999999999 111.639 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.48 -0.51 88.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 14.380000000000001 111.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.88 156.76 31.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.672 0.272 . . . . 23.609999999999999 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 p -127.2 167.21 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.148 0.499 . . . . 11.65 109.923 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 58.21 -144.08 42.94 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.675 -0.774 . . . . 9.3100000000000005 114.534 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.44 -44.3 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.146 0.795 . . . . 14.06 113.146 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -58.69 -40.05 82.48 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.933 0.397 . . . . 28.890000000000001 112.033 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -44.83 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.046 -0.724 . . . . 11.06 109.046 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.0 m -66.76 -40.01 88.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.707 -0.224 . . . . 11.119999999999999 111.171 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.39 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.429 . . . . 8.6500000000000004 109.862 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.436 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.5 t -65.57 -46.38 79.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 9.0899999999999999 110.062 179.681 -174.447 -82.931 -75.335 103.734 2.032 103.92 -48.974 -58.474 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -64.78 -31.87 73.29 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.386 . . . . 15.31 111.351 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.8 t -68.86 -39.77 79.68 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.944 0.402 . . . . 15.66 110.625 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -69.54 -40.53 76.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.417 -0.957 . . . . 9.8000000000000007 108.417 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.07 91.84 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.493 -0.558 . . . . 7.6500000000000004 109.493 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -65.01 -41.07 95.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.91 0.386 . . . . 19.289999999999999 110.511 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.9 m -63.43 -40.13 96.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 12.130000000000001 111.198 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.462 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 2.6 m-85 -65.17 -46.16 81.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 11.66 108.999 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 89' ' ' TYR . 59.4 t80 -60.23 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.427 -0.806 . . . . 13.77 111.453 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -63.62 -30.6 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.664 0.616 . . . . 18.809999999999999 112.664 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -17.67 62.67 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.013 0.746 . . . . 10.02 113.013 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.3 m -104.66 -27.04 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 108.71 -0.848 . . . . 12.56 108.71 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -68.62 -23.7 64.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 21.120000000000001 110.004 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.617 HD13 ' O ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -64.64 -22.13 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.748 0.648 . . . . 19.27 112.748 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -80.71 -11.23 59.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.287 0.847 . . . . 17.079999999999998 113.287 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.362 0 C-N-CA 120.05 -1.071 . . . . 25.309999999999999 115.34 179.292 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 120.801 0.334 . . . . 18.93 110.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.98 155.48 49.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 CA-C-O 121.734 0.639 . . . . 14.22 113.182 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 115.509 1.67 . . . . 14.12 115.509 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -93.02 15.54 14.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 115.51 1.67 . . . . 16.34 115.51 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -55.48 -45.42 99.87 Favored Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 113.146 0.795 . . . . 13.45 113.146 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.94 -36.58 96.61 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 118.651 -0.433 . . . . 11.75 113.168 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.72 -36.8 65.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.319 -0.4 . . . . 23.57 111.224 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.83 -42.67 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.318 -0.993 . . . . 10.48 108.318 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -62.99 -38.18 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 11.38 110.479 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.01 87.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.137 -0.69 . . . . 8.65 109.137 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -62.5 -30.39 71.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.342 0.867 . . . . 11.47 113.342 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -84.66 -8.33 58.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.55 0.574 . . . . 10.48 112.55 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 84' ' ' ILE . 81.8 p -123.02 34.63 5.08 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 117.902 2.556 . . . . 8.85 117.902 -175.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 98.9 mm-40 -96.62 162.83 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.381 -1.34 . . . . 10.68 107.381 178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.476 ' HB ' ' HG3' ' A' ' 90' ' ' GLU . 76.2 p -77.22 -14.56 59.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.434 1.272 . . . . 10.6 114.434 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 99.4 p -67.49 158.14 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 115.05 1.5 . . . . 12.69 115.05 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.35 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.198 -0.91 . . . . 8.5 109.409 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.5 p -65.13 -33.8 76.89 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 121.027 -0.269 . . . . 10.46 111.636 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' HB2' ' HB2' ' A' ' 14' ' ' GLN . 33.0 t -70.0 -43.04 72.22 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.503 -0.925 . . . . 8.15 108.503 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.64 -40.13 94.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.023 -0.671 . . . . 9.45 110.294 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.0 -37.24 87.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 12.95 111.313 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.82 78.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.48 -0.933 . . . . 9.23 108.48 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.2 -39.32 86.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 10.54 111.766 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.89 -40.55 93.48 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.915 -0.314 . . . . 14.02 111.239 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.94 89.1 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 109.72 -0.474 . . . . 9.45 109.72 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.8 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.939 0.4 . . . . 7.69 110.091 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -58.51 -35.54 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 12.15 110.794 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -80.86 -14.45 58.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.085 -0.507 . . . . 28.14 111.273 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -133.03 47.49 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.331 -0.618 . . . . 15.51 109.331 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -51.71 -40.05 59.46 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 114.354 1.242 . . . . 11.76 114.354 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.4 p -58.95 -31.41 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.268 0.84 . . . . 13.97 113.268 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.98 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.16 -0.311 . . . . 13.19 110.16 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -108.13 12.79 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.988 0.736 . . . . 15.34 112.988 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.83 -34.22 39.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 114.511 1.301 . . . . 10.76 114.511 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.32 67.12 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.232 0.456 . . . . 10.51 112.232 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -79.49 -13.97 59.2 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 116.02 1.859 . . . . 11.79 116.02 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 49.05 50.33 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.976 0.732 . . . . 23.67 112.976 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.98 156.19 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.447 -0.945 . . . . 10.71 108.447 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -88.82 109.68 20.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 103.843 -2.651 . . . . 11.11 103.843 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -98.81 13.23 33.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.465 0.913 . . . . 11.09 113.465 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.7 p -77.59 143.01 38.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 11.64 111.211 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -153.71 149.94 28.02 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.861 -0.609 . . . . 12.28 111.095 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -105.55 9.3 33.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.277 -1.379 . . . . 24.66 107.277 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HB3' ' H ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 57.16 -138.66 0.93 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.127 -1.805 . . . . 15.77 106.127 -177.346 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.433 ' H ' ' HB3' ' A' ' 44' ' ' LEU . 60.1 m -99.9 23.8 9.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.33 1.233 . . . . 12.42 114.33 -179.681 -55.574 -54.074 107.233 105.048 2.025 102.519 134.508 -71.981 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.6 p -66.66 -22.24 66.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.57 1.322 . . . . 19.33 114.57 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.22 15.37 28.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.142 0.496 . . . . 28.64 110.894 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.07 169.26 8.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 13.71 110.034 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 114' ' ' TYR . 16.6 Cg_exo -67.63 175.64 5.94 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 120.682 0.921 . . . . 12.93 110.745 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 152.63 22.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.43 0.633 . . . . 24.32 112.096 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -134.4 73.3 69.0 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 103.918 -2.623 . . . . 13.19 103.918 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -54.49 -32.71 74.83 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.306 2.67 . . . . 13.86 117.769 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -95.63 -0.67 51.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.225 0.824 . . . . 21.89 113.225 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.65 42.86 99.64 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 119.287 2.475 . . . . 11.19 119.287 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 107' ' ' CYS . 67.8 m-85 -70.85 140.88 86.56 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 106.994 -1.484 . . . . 9.73 106.994 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.03 83.44 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.11 2.54 . . . . 10.32 114.347 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -102.76 0.69 33.23 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 114.075 1.139 . . . . 12.22 114.075 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -48.01 -47.69 33.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.882 1.438 . . . . 15.27 114.882 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -67.33 -29.2 68.7 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.298 0.481 . . . . 16.2 112.298 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.03 71.07 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 105.639 -1.985 . . . . 8.21 105.639 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.57 -41.47 97.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.669 . . . . 9.11 111.921 179.317 -71.981 134.508 107.233 102.519 2.025 105.048 -54.074 -55.574 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.57 95.12 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.397 0.517 . . . . 7.85 112.397 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -68.8 -30.75 69.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 119.932 -0.707 . . . . 8.8 110.518 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.73 -40.5 79.85 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.403 -0.962 . . . . 7.74 108.403 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -63.11 -43.05 99.55 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.519 -0.919 . . . . 11.27 108.519 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -57.29 -49.7 75.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 9.3 110.133 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.34 79.62 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.616 -0.802 . . . . 7.86 113.328 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -59.74 -56.54 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.434 0.531 . . . . 12.64 112.434 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.78 -42.38 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 115.4 1.63 . . . . 16.44 115.4 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -77.63 -29.29 51.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.009 1.114 . . . . 10.69 114.009 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.19 -26.35 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 118.461 -1.295 . . . . 11.1 108.749 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -72.45 -36.22 68.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.036 -1.468 . . . . 24.3 107.036 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.23 66.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.672 0.272 . . . . 13.46 111.237 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.67 -5.9 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.331 . . . . 13.96 110.964 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.47 71.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.633 -0.794 . . . . 14.75 114.3 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.7 p -137.14 47.69 2.1 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.688 -0.486 . . . . 19.02 109.688 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -75.7 -52.11 11.22 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 116.458 2.021 . . . . 14.59 116.458 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -49.93 -38.53 36.67 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 116.467 2.025 . . . . 27.4 116.467 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.62 -14.68 57.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 114.569 1.322 . . . . 15.5 114.569 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.576 ' O ' HG12 ' A' ' 84' ' ' ILE . 60.9 m-80 -111.72 -9.33 14.12 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.846 1.054 . . . . 11.84 113.846 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -52.86 -44.92 67.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.963 1.097 . . . . 11.52 113.963 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -49.32 76.98 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.087 1.143 . . . . 19.18 114.087 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -64.3 -40.77 96.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 11.64 111.021 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 80' ' ' ASN . 30.2 mm -63.21 -42.11 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 13.01 110.041 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.02 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.533 -0.543 . . . . 8.86 109.533 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.4 m -66.32 -39.5 89.32 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.428 0.529 . . . . 11.87 112.428 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.4 87.11 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.265 -0.642 . . . . 7.65 109.265 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -60.82 -47.43 86.4 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.296 -1.001 . . . . 8.84 108.296 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.405 ' HB2' ' CD1' ' A' ' 115' ' ' TYR . 3.5 t80 -62.25 -43.67 98.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.853 -0.612 . . . . 17.48 110.562 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' HG3' ' HB ' ' A' ' 15' ' ' THR . 76.5 mm-40 -65.07 -37.6 88.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.832 -0.167 . . . . 17.91 111.388 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -63.87 -41.18 97.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.134 0.492 . . . . 8.19 109.695 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 75.8 mtm -69.1 -39.13 79.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 8.52 110.827 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -63.61 -32.21 73.61 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.643 -0.423 . . . . 18.19 111.017 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -63.75 -36.24 83.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.031 -0.729 . . . . 11.99 109.031 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.15 -46.44 93.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.525 -0.917 . . . . 12.56 108.525 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 70.2 m -61.08 -25.78 67.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 116.792 2.145 . . . . 9.84 116.792 -178.467 -58.474 -48.974 -75.335 103.92 2.032 103.734 -82.931 -174.447 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.8 p -67.41 -8.67 34.87 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.232 -0.587 . . . . 13.87 111.639 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.48 -0.51 88.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 14.38 111.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.88 156.76 31.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.672 0.272 . . . . 23.61 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 p -127.2 167.21 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.148 0.499 . . . . 11.65 109.923 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 58.21 -144.08 42.94 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.675 -0.774 . . . . 9.31 114.534 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.44 -44.3 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.146 0.795 . . . . 14.06 113.146 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -58.69 -40.05 82.48 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.933 0.397 . . . . 28.89 112.033 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -44.83 93.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.046 -0.724 . . . . 11.06 109.046 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.0 m -66.76 -40.01 88.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.707 -0.224 . . . . 11.12 111.171 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.39 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.002 0.429 . . . . 8.65 109.862 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.436 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.5 t -65.57 -46.38 79.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 9.09 110.062 179.681 -174.447 -82.931 -75.335 103.734 2.032 103.92 -48.974 -58.474 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -64.78 -31.87 73.29 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.386 . . . . 15.31 111.351 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.8 t -68.86 -39.77 79.68 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.944 0.402 . . . . 15.66 110.625 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -69.54 -40.53 76.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.417 -0.957 . . . . 9.8 108.417 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.07 91.84 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.493 -0.558 . . . . 7.65 109.493 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -65.01 -41.07 95.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.91 0.386 . . . . 19.29 110.511 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.9 m -63.43 -40.13 96.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 12.13 111.198 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.462 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 2.6 m-85 -65.17 -46.16 81.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 11.66 108.999 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 89' ' ' TYR . 59.4 t80 -60.23 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.427 -0.806 . . . . 13.77 111.453 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -63.62 -30.6 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.664 0.616 . . . . 18.81 112.664 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -17.67 62.67 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.013 0.746 . . . . 10.02 113.013 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.3 m -104.66 -27.04 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 108.71 -0.848 . . . . 12.56 108.71 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -68.62 -23.7 64.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 21.12 110.004 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.617 HD13 ' O ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -64.64 -22.13 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.748 0.648 . . . . 19.27 112.748 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -80.71 -11.23 59.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.287 0.847 . . . . 17.08 113.287 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.362 0 C-N-CA 120.05 -1.071 . . . . 25.31 115.34 179.292 . . . . . . . . 0 0 . 1 stop_ save_