data_1jn7_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 1jn7 _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 core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.5 mtpt . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -155.11 134.14 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -98.02 123.51 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -80.07 -23.3 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.563 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -80.07 -41.49 25.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 m -99.9 -0.89 38.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.462 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 51.91 40.98 29.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.5 mm -111.71 162.68 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.07 156.07 43.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.058 0.456 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 71.4 m-85 -138.71 132.06 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.433 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -91.13 13.47 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.335 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -154.99 123.67 6.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.78 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 t -49.26 -29.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -65.4 -33.96 77.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.626 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.3 -39.75 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.46 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -63.6 -30.8 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.861 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.63 -42.97 50.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.743 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.52 71.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.3 t60 -72.23 -40.64 67.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -72.39 -34.28 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -21.8 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.53 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -104.18 -51.06 3.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.9 t80 -74.81 -52.56 11.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.092 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.889 0.376 . . . . 0.0 110.775 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -153.62 134.78 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.28 125.7 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 111.419 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.57 20.41 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.295 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 m -134.38 -34.87 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.723 0.297 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.21 0.67 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.351 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.55 41.73 32.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.9 mm -117.05 162.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -131.38 163.77 27.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 82.9 m-85 -140.75 138.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.82 11.43 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.06 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -155.15 126.86 7.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.681 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.34 -29.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -36.17 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.75 -40.01 72.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.9 t80 -64.76 -29.77 70.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.071 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -75.48 -42.5 52.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.867 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.52 71.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.02 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 82.4 t60 -70.53 -41.2 72.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.713 0.292 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -74.12 -34.34 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -85.12 -14.07 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -113.77 -50.53 2.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.409 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.78 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 -179.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 9.9 mttt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.9 t80 -155.3 126.33 7.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.82 126.32 33.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.35 19.36 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.516 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.4 m -134.42 -35.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.28 . . . . 0.0 110.935 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.58 -3.38 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.341 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.5 37.47 28.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.514 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.0 mm -113.04 162.31 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.56 162.08 29.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 95.4 m-85 -139.21 137.5 36.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -82.71 1.57 38.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -149.53 129.44 13.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.709 0.29 . . . . 0.0 110.736 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 t -53.6 -29.95 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -67.55 -41.47 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.543 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.6 t80 -63.17 -29.39 70.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.086 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.33 -43.9 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.545 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.89 71.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.784 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.07 -39.27 72.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.705 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.93 -35.21 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.1 -14.99 45.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.532 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -110.36 -51.41 2.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 111.415 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.96 -49.8 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.184 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 13.6 mttt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.875 0.369 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.5 t80 -155.16 126.54 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -85.01 125.35 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.186 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.29 19.9 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.471 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -134.35 -34.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.2 m -99.67 -4.34 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.323 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.78 38.47 27.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.04 0.448 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 mm -115.59 162.33 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.39 162.84 27.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.466 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 94.0 m-85 -140.85 136.87 32.8 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.402 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -86.81 9.94 17.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.352 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -155.43 128.56 8.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -53.31 -29.53 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 0.0 110.868 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -38.87 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.426 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -40.6 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.1 t80 -63.01 -30.1 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.061 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -75.45 -43.89 47.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.513 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.59 71.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.647 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.6 t60 -70.96 -47.56 58.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -67.38 -27.74 67.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.942 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -15.73 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.868 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.01 -49.72 2.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 111.59 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.76 -36.5 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.113 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.851 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -130.76 131.0 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.45 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 t -84.97 125.18 32.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.461 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -86.43 20.07 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.463 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -101.67 0.54 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 52.99 41.49 32.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.923 0.392 . . . . 0.0 110.702 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 mm -116.17 162.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.0 162.68 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 65.9 m-85 -139.94 135.04 32.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -88.51 10.79 19.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.21 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -155.31 128.29 8.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.645 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.73 -30.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.89 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.717 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.68 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.599 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.453 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 23.0 t80 -63.27 -30.68 71.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 110.009 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.55 -42.14 53.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.874 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.48 71.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.106 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 79.8 t60 -71.8 -39.1 70.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.743 0.306 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -74.83 -35.27 62.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -12.15 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.645 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.09 -51.07 2.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.3 t80 -74.88 -49.0 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.133 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.986 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.891 0.377 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.8 t80 -141.15 128.87 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.585 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.87 125.68 32.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -86.26 20.01 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.559 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.0 m -134.47 -34.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.912 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -100.68 -4.55 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.25 37.99 28.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.5 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 mm -114.17 162.18 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -133.58 156.91 46.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 77.2 m-85 -134.43 131.78 38.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.64 -1.68 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.271 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -139.08 123.52 18.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.827 0.346 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -29.91 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.91 79.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -39.96 69.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 57.7 t80 -61.32 -32.52 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.51 -41.89 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.568 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.77 71.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.883 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 77.6 t60 -70.63 -39.64 73.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -75.03 -34.83 61.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -85.12 -12.27 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -114.96 -51.01 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.667 0.27 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.87 -49.75 19.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.071 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 6.3 mtpt . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.878 0.371 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 128.3 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -84.95 127.42 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -86.33 18.97 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.593 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 m -134.51 -35.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.065 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.52 -3.75 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.35 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.62 36.68 27.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.089 0.471 . . . . 0.0 110.534 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.1 mm -112.27 162.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -130.89 161.44 31.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.9 m-85 -138.38 139.67 39.08 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -84.8 1.92 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -146.01 121.57 10.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.458 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 t -50.66 -28.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -65.33 -41.87 93.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.287 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.157 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 14.9 t80 -61.25 -31.67 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.919 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.29 -43.38 51.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.437 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.9 72.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.643 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -69.19 -39.66 78.52 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.78 -35.66 64.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.01 -15.01 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -111.09 -50.79 2.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.672 0.272 . . . . 0.0 111.421 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -74.84 -47.93 27.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 5.0 mttt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.977 0.417 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 6.9 t80 -155.01 130.59 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.63 121.3 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.207 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -23.92 42.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.33 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 -41.81 32.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.94 1.28 39.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 51.86 41.59 29.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.887 0.375 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.417 HD12 ' CE1' ' A' ' 27' ' ' HIS . 8.7 mt -108.81 161.74 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -132.57 148.96 52.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 24' ' ' TYR . 26.6 m-85 -138.45 130.3 28.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.89 12.5 21.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -149.96 121.25 7.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.85 -28.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -34.98 79.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -39.65 66.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 65.9 t80 -65.44 -29.32 69.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -75.34 -43.78 48.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.785 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.54 70.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.908 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.9 t60 -73.17 -48.54 34.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.819 0.342 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -22.09 62.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.15 -26.51 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.718 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -115.06 -42.2 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -74.81 -33.16 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.571 -179.723 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 15.7 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.415 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.3 t80 -155.16 127.85 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.85 126.08 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 p -86.4 19.95 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.538 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -134.38 -35.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.969 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.7 m -101.4 0.17 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.32 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 53.23 39.67 30.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 110.712 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.1 mm -114.08 162.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -130.35 162.07 29.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.6 m-85 -141.24 138.43 33.27 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 13.23 16.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.52 126.09 6.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.7 t -53.08 -28.45 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -40.62 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.484 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -40.23 84.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 11.2 t80 -63.39 -30.56 71.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.902 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.74 -42.95 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.687 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.7 72.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.974 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.9 t60 -68.43 -42.25 79.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.795 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -73.76 -34.24 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -12.69 52.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.697 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -114.97 -50.23 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.681 0.277 . . . . 0.0 111.477 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -47.02 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.257 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mttt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.039 0.447 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -151.64 129.53 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -84.95 126.15 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 111.278 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 20.02 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.5 m -134.43 -35.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.948 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.34 -3.53 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.437 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.86 38.08 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.135 0.493 . . . . 0.0 110.568 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.1 mm -113.78 162.44 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.777 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -132.06 161.22 33.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 84.1 m-85 -140.61 136.85 33.17 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -86.64 9.9 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.387 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -153.04 122.69 6.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.745 0.307 . . . . 0.0 110.659 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.84 -28.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -65.31 -38.99 91.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -39.81 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.3 t80 -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.941 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.42 -43.11 51.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.744 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -30.07 71.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.902 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.05 -40.7 71.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.94 -35.11 64.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.996 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -85.13 -12.37 52.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.67 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -114.95 -50.63 2.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.299 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -74.86 -44.09 50.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.133 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 4.7 pttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -155.18 127.63 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.85 125.68 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.015 0.436 . . . . 0.0 111.305 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -86.28 19.57 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.499 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 m -134.33 -35.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.32 -5.39 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.311 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.35 38.18 25.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.102 0.477 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mm -115.4 162.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.951 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 160.91 33.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 94.6 m-85 -137.58 136.34 37.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -85.43 5.06 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.309 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -149.1 123.39 9.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.785 0.326 . . . . 0.0 110.695 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.11 -29.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -65.29 -36.69 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.0 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 21.2 t80 -62.4 -31.75 72.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.126 0.489 . . . . 0.0 109.867 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.6 -42.02 52.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.6 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -62.87 -36.26 82.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.637 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 75.7 t60 -63.21 -55.78 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -32.99 70.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.97 -8.38 58.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.576 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 4.4 m-85 -111.69 -58.59 2.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 111.411 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.83 -46.94 33.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.369 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 18' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.15 129.31 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -95.18 123.44 38.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -79.02 -22.29 45.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.661 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -81.77 -40.96 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.84 -1.68 34.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.534 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 52.44 38.8 26.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 mm -109.84 162.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.8 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.98 160.21 33.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 49.8 m-85 -141.97 138.89 32.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.21 16.11 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.05 118.44 4.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 t -50.11 -27.86 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.61 92.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.542 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 28.7 m -68.34 -39.92 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.492 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 9.5 t80 -62.98 -30.92 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.906 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.67 -43.09 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.706 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.11 -31.98 73.38 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' TYR . 73.7 t60 -68.61 -41.47 79.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.784 0.326 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -35.16 65.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -85.12 -13.05 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.727 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -115.03 -50.04 2.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.68 0.276 . . . . 0.0 111.564 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' HIS . 2.1 t80 -74.9 -43.31 55.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.225 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.86 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 14.8 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -153.8 127.63 8.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.381 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -84.87 125.14 32.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 111.249 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.39 20.2 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.467 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -134.4 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.975 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -101.18 -0.56 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.307 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 54.01 41.0 32.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.8 mm -117.42 162.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.007 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.52 161.09 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 86.7 m-85 -137.69 134.23 35.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -83.02 3.14 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -147.74 125.55 11.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.68 -30.81 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -65.27 -34.92 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -39.96 71.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.571 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.433 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.6 t80 -62.43 -31.36 72.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.929 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.63 -42.64 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.569 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.77 72.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.89 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 71.4 t60 -72.03 -44.13 63.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -26.51 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.12 -21.49 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.972 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -115.04 -44.89 2.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.73 -31.68 61.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 0.0 111.275 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.22 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 121.121 0.486 . . . . 0.0 111.235 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 92.6 t80 -155.36 116.48 3.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.78 121.13 27.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.5 p -79.55 -22.28 44.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.481 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -80.06 -41.47 25.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.37 -2.75 35.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.408 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.02 38.61 30.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 10.9 mm -110.35 162.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.674 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.09 158.93 34.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 72.1 m-85 -142.1 143.11 32.9 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.909 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -95.17 -8.74 35.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -136.88 125.43 23.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 t -48.92 -28.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.1 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.346 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -66.4 -41.41 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.272 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 7.4 t80 -64.68 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.25 -45.89 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.36 73.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.533 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.65 -55.04 14.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.362 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -60.64 -29.36 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -83.77 -13.82 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.49 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -111.54 -57.89 2.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.445 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -74.89 -28.6 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.3 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.943 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 1.8 mtpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.14 126.89 7.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -85.03 126.12 33.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.204 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.2 p -86.41 19.92 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 m -134.41 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.033 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.3 m -101.26 -0.24 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.448 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.72 39.72 30.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.7 mm -115.13 162.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -130.24 161.94 30.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 91.9 m-85 -139.92 138.52 35.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -90.03 12.18 18.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -155.3 123.63 5.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.453 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 t -50.77 -29.29 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -65.41 -39.95 92.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.56 85.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.7 t80 -63.22 -30.25 71.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.993 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.62 -43.16 49.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.593 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.41 72.28 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 69.8 t60 -73.03 -42.53 63.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -73.01 -26.57 61.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.175 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -23.03 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.863 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.2 -47.46 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.83 -6.12 47.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.877 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.608 0.242 . . . . 0.0 111.4 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -153.95 127.01 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 t -85.01 123.94 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -86.56 20.6 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.268 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.1 m -134.28 -35.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.293 . . . . 0.0 110.97 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.8 m -101.35 0.67 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 53.48 43.41 31.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.0 0.428 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.9 mm -119.78 162.16 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.54 163.53 25.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.775 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 74.5 m-85 -140.52 139.13 35.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.95 -20.21 35.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -127.41 131.03 50.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 t -52.36 -29.93 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.857 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -65.25 -32.98 74.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.538 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -41.5 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 20.9 t80 -61.87 -31.03 71.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.993 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.58 -42.5 51.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.677 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.9 71.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 72.8 t60 -73.33 -41.48 63.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -73.4 -27.41 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -84.97 -18.06 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.747 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.09 -46.93 2.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.732 0.301 . . . . 0.0 111.637 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.7 -40.49 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.341 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.852 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.975 0.417 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -155.11 125.74 6.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -84.91 125.66 32.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 p -86.38 19.87 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.431 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -134.43 -34.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.01 -1.1 35.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.242 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.1 39.82 31.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.994 0.426 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.8 mm -116.12 161.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.059 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 159.02 39.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 97.2 m-85 -134.16 135.05 42.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.441 . . . . 0.0 110.871 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -73.32 -9.33 58.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.454 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -141.76 133.28 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.061 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -30.24 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -34.3 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -71.76 -40.22 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.158 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 19.8 t80 -61.7 -31.52 71.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.95 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.19 -42.97 54.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.5 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.01 70.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.809 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.5 t60 -73.17 -38.8 66.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.73 65.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -19.01 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.543 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -105.82 -51.42 2.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.415 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.9 -50.05 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.154 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.004 0.43 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -155.14 125.16 6.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -84.94 125.21 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.31 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -86.44 20.16 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.41 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.2 -0.51 35.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.264 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 53.91 40.53 31.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.956 0.408 . . . . 0.0 110.72 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.9 mm -116.68 162.01 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -133.03 158.06 43.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.671 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 85.2 m-85 -134.66 134.33 41.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -74.35 -19.86 60.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.57 129.89 50.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -29.82 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -65.13 -33.94 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.39 -41.05 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.268 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.482 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 27.1 t80 -60.99 -31.73 71.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.16 0.505 . . . . 0.0 109.952 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.19 -42.77 54.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.607 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.46 70.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 73.3 t60 -72.19 -40.65 67.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -74.58 -32.54 62.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -13.95 48.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.559 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -115.03 -49.78 2.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.66 0.266 . . . . 0.0 111.562 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -74.83 -45.84 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.989 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.922 0.392 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.9 t80 -147.71 126.96 12.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.6 t -84.93 124.46 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.069 0.462 . . . . 0.0 111.196 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.48 20.54 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.346 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -134.31 -35.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.692 0.282 . . . . 0.0 110.923 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -101.64 -0.17 35.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.344 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 53.85 41.94 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.4 mm -118.27 162.16 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -131.27 160.77 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.773 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.2 m-85 -138.1 136.47 36.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.67 12.04 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -155.14 124.55 6.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.786 0.327 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -49.79 -30.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -34.27 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -38.69 66.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.696 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 t80 -64.89 -30.5 71.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.094 0.473 . . . . 0.0 109.881 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -42.82 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.668 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.5 72.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.843 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 77.6 t60 -71.82 -44.79 63.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -70.76 -27.31 63.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -18.39 34.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.861 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -115.08 -47.23 2.87 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.85 -39.31 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.204 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.382 . . . . 0.0 110.978 -179.88 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 121.123 0.487 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.4 t80 -155.05 127.82 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.312 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.97 125.4 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.095 0.474 . . . . 0.0 111.162 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.3 19.76 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -134.33 -35.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.296 . . . . 0.0 110.916 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -99.29 -4.39 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.284 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.65 38.68 27.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.38 162.32 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.784 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.416 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -128.83 163.85 24.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 96.4 m-85 -141.74 142.55 33.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.238 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -82.25 -19.51 39.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.425 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -133.11 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -52.47 -28.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.34 -35.36 80.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.392 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.86 -38.95 73.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.492 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 25.6 t80 -64.2 -30.37 71.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.033 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.31 -43.96 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.614 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.568 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.4 t60 -67.93 -54.35 19.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -61.13 -28.78 69.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -84.74 -13.76 50.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.18 -53.66 2.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 111.633 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.76 -38.79 62.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.354 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.902 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.495 -0.242 . . . . 1.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -170.42 -169.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.09 52.46 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.08 -70.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.51 64.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.18 159.33 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp 64.26 171.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 5.2 ttpm? -147.25 -76.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.5 mtpt -136.78 51.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -155.11 134.14 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -98.02 123.51 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -80.07 -23.3 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.563 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -80.07 -41.49 25.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 m -99.9 -0.89 38.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.462 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 51.91 40.98 29.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.5 mm -111.71 162.68 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.07 156.07 43.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.058 0.456 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 71.4 m-85 -138.71 132.06 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.433 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -91.13 13.47 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.335 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -154.99 123.67 6.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.78 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 t -49.26 -29.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -65.4 -33.96 77.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.626 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.3 -39.75 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.46 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 36.0 t80 -63.6 -30.8 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.861 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.63 -42.97 50.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.743 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.52 71.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.3 t60 -72.23 -40.64 67.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -72.39 -34.28 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -21.8 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.53 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -104.18 -51.06 3.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.9 t80 -74.81 -52.56 11.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.092 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -97.34 39.17 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.74 74.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -102.25 31.89 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.77 56.49 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.541 2.161 . . . . 1.0 112.289 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.121 0 N-CA-C 112.505 -0.238 . . . . 1.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -138.83 116.41 11.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.07 30.07 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.96 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 165.51 64.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.26 145.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.83 79.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -151.52 -85.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.0 45.88 1.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.889 0.376 . . . . 0.0 110.775 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -153.62 134.78 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.28 125.7 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 111.419 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.57 20.41 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.295 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 m -134.38 -34.87 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.723 0.297 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.21 0.67 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.351 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.55 41.73 32.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.9 mm -117.05 162.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -131.38 163.77 27.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 82.9 m-85 -140.75 138.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.82 11.43 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.06 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -155.15 126.86 7.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.681 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.34 -29.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -36.17 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.75 -40.01 72.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.9 t80 -64.76 -29.77 70.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.071 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -75.48 -42.5 52.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.867 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.52 71.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.02 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 82.4 t60 -70.53 -41.2 72.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.713 0.292 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -74.12 -34.34 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -85.12 -14.07 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -113.77 -50.53 2.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.409 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.78 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -96.12 42.73 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.51 44.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -174.24 36.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tptp 59.92 84.46 0.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.25 1.124 0 C-N-CA 122.562 2.175 . . . . 1.0 112.275 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.454 -0.259 . . . . 1.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.65 33.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.11 38.68 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.53 51.05 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 165.45 64.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.32 122.6 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.6 mtp 60.35 89.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 138.81 56.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 9.9 mttt 60.78 46.54 8.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.9 t80 -155.3 126.33 7.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.82 126.32 33.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.35 19.36 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.516 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.4 m -134.42 -35.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.28 . . . . 0.0 110.935 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.58 -3.38 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.341 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.5 37.47 28.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.514 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.0 mm -113.04 162.31 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.56 162.08 29.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 95.4 m-85 -139.21 137.5 36.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -82.71 1.57 38.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -149.53 129.44 13.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.709 0.29 . . . . 0.0 110.736 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 t -53.6 -29.95 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -67.55 -41.47 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.543 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.6 t80 -63.17 -29.39 70.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.086 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.33 -43.9 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.545 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.89 71.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.784 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.07 -39.27 72.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.705 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.93 -35.21 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.1 -14.99 45.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.532 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -110.36 -51.41 2.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 111.415 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.96 -49.8 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.184 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -95.77 42.43 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -168.89 44.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -175.0 36.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -174.97 87.62 0.31 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.066 0 C-N-CA 122.555 2.17 . . . . 1.0 112.342 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.541 -0.223 . . . . 1.0 112.541 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 60.37 85.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.69 40.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.26 27.71 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.203 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.48 64.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.62 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.52 57.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.4 ttt -162.4 82.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -178.48 87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 13.6 mttt 59.36 49.98 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.5 t80 -155.16 126.54 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -85.01 125.35 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.186 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.29 19.9 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.471 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -134.35 -34.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.2 m -99.67 -4.34 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.323 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.78 38.47 27.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.04 0.448 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 mm -115.59 162.33 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.39 162.84 27.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.466 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 94.0 m-85 -140.85 136.87 32.8 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.402 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -86.81 9.94 17.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.352 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -155.43 128.56 8.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 t -53.31 -29.53 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 0.0 110.868 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -38.87 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.426 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -40.6 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.1 t80 -63.01 -30.1 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.061 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -75.45 -43.89 47.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.513 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.59 71.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.647 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.6 t60 -70.96 -47.56 58.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -67.38 -27.74 67.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.942 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -15.73 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.868 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.01 -49.72 2.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 111.59 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.76 -36.5 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.113 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -113.16 51.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 54.76 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 59.47 36.39 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -160.48 137.29 6.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.518 2.146 . . . . 1.0 112.305 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.49 -0.244 . . . . 1.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 122.8 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.831 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.97 95.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.01 35.57 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.49 64.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.0 t -115.66 -37.66 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 tpt 61.62 83.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HG3' ' CG ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -179.15 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -134.44 40.24 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -130.76 131.0 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.45 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 t -84.97 125.18 32.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.461 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -86.43 20.07 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.463 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -101.67 0.54 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 52.99 41.49 32.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.923 0.392 . . . . 0.0 110.702 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 mm -116.17 162.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.0 162.68 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 65.9 m-85 -139.94 135.04 32.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -88.51 10.79 19.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.21 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -155.31 128.29 8.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.645 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.73 -30.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.89 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.717 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.68 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.599 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.453 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 23.0 t80 -63.27 -30.68 71.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 110.009 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.55 -42.14 53.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.874 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.48 71.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.106 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 79.8 t60 -71.8 -39.1 70.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.743 0.306 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -74.83 -35.27 62.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -12.15 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.645 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.09 -51.07 2.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.3 t80 -74.88 -49.0 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.133 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -98.06 43.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -145.25 44.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -160.52 39.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.31 153.31 0.11 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.569 2.18 . . . . 1.0 112.287 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.52 -0.232 . . . . 1.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p 58.6 171.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.96 54.24 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.61 70.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.044 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 165.4 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t -112.81 134.0 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.087 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 62.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' CG ' ' HG3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -79.88 -30.66 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.99 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -139.84 43.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.8 t80 -141.15 128.87 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.585 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.87 125.68 32.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -86.26 20.01 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.559 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.0 m -134.47 -34.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.912 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -100.68 -4.55 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.25 37.99 28.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.5 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 mm -114.17 162.18 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -133.58 156.91 46.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 77.2 m-85 -134.43 131.78 38.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.64 -1.68 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.271 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -139.08 123.52 18.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.827 0.346 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -29.91 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.91 79.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -39.96 69.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 57.7 t80 -61.32 -32.52 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.51 -41.89 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.568 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.77 71.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.883 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 77.6 t60 -70.63 -39.64 73.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -75.03 -34.83 61.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -85.12 -12.27 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -114.96 -51.01 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.667 0.27 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.87 -49.75 19.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.071 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.02 39.68 1.17 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -174.84 44.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.757 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -97.99 29.84 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.98 86.09 1.77 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.557 2.171 . . . . 1.0 112.252 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.536 -0.226 . . . . 1.0 112.536 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 60.69 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.96 31.62 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.77 61.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 165.51 64.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.76 -25.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.96 65.88 0.43 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.081 0.467 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HG2' ' CD ' ' A' ' 9' ' ' LYS . 13.2 ttmm -58.74 120.5 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 6.3 mtpt 56.41 48.88 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.206 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 128.3 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -84.95 127.42 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -86.33 18.97 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.593 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 m -134.51 -35.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.065 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.52 -3.75 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.35 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.62 36.68 27.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.089 0.471 . . . . 0.0 110.534 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.1 mm -112.27 162.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -130.89 161.44 31.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.9 m-85 -138.38 139.67 39.08 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -84.8 1.92 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -146.01 121.57 10.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.458 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 t -50.66 -28.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -65.33 -41.87 93.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.287 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.157 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 14.9 t80 -61.25 -31.67 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.919 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.29 -43.38 51.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.437 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.9 72.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.643 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -69.19 -39.66 78.52 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.78 -35.66 64.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.01 -15.01 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -111.09 -50.79 2.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.672 0.272 . . . . 0.0 111.421 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -74.84 -47.93 27.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -95.81 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.2 44.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -102.61 42.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 55.1 3.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.516 2.144 . . . . 1.0 112.294 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.562 -0.215 . . . . 1.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.63 36.26 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.05 112.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.38 -46.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 165.51 64.94 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.28 158.5 5.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.43 111.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -165.23 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 5.0 mttt -149.72 45.73 0.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.417 . . . . 0.0 110.658 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 6.9 t80 -155.01 130.59 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.63 121.3 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.207 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -23.92 42.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.33 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 -41.81 32.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.94 1.28 39.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 51.86 41.59 29.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.887 0.375 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.417 HD12 ' CE1' ' A' ' 27' ' ' HIS . 8.7 mt -108.81 161.74 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -132.57 148.96 52.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 24' ' ' TYR . 26.6 m-85 -138.45 130.3 28.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.89 12.5 21.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -149.96 121.25 7.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.85 -28.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -34.98 79.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -39.65 66.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 65.9 t80 -65.44 -29.32 69.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -75.34 -43.78 48.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.785 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.54 70.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.908 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.9 t60 -73.17 -48.54 34.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.819 0.342 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -22.09 62.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.15 -26.51 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.718 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -115.06 -42.2 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -74.81 -33.16 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -116.9 15.67 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.571 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.31 43.55 4.22 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.659 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 56.34 31.75 19.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.59 90.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.511 2.141 . . . . 1.0 112.338 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.441 -0.264 . . . . 1.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -176.57 131.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.02 76.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . 63.45 -80.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER 165.39 64.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -92.42 -39.35 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.03 104.92 6.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HG3' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.77 -175.48 5.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 15.7 mttt 57.98 51.64 8.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.415 . . . . 0.0 111.059 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.3 t80 -155.16 127.85 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.85 126.08 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 p -86.4 19.95 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.538 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -134.38 -35.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.969 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.7 m -101.4 0.17 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.32 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 53.23 39.67 30.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 110.712 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.1 mm -114.08 162.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -130.35 162.07 29.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.6 m-85 -141.24 138.43 33.27 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 13.23 16.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.52 126.09 6.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.7 t -53.08 -28.45 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -40.62 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.484 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -40.23 84.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 11.2 t80 -63.39 -30.56 71.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.902 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.74 -42.95 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.687 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.7 72.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.974 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.9 t60 -68.43 -42.25 79.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.795 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -73.76 -34.24 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -12.69 52.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.697 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -114.97 -50.23 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.681 0.277 . . . . 0.0 111.477 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -47.02 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -95.49 19.05 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.257 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 45.82 43.41 9.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.381 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.81 30.3 15.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.51 89.11 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.249 1.071 0 C-N-CA 122.561 2.174 . . . . 1.0 112.284 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.463 -0.255 . . . . 1.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 60.46 36.27 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.45 76.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . -113.94 -75.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 165.49 64.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.561 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.79 73.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.015 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttt -82.03 121.52 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.22 84.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mttt 54.83 49.95 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.039 0.447 . . . . 0.0 111.055 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -151.64 129.53 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -84.95 126.15 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 111.278 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 20.02 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.5 m -134.43 -35.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.948 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.34 -3.53 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.437 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.86 38.08 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.135 0.493 . . . . 0.0 110.568 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.1 mm -113.78 162.44 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.777 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -132.06 161.22 33.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 84.1 m-85 -140.61 136.85 33.17 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -86.64 9.9 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.387 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -153.04 122.69 6.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.745 0.307 . . . . 0.0 110.659 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.84 -28.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -65.31 -38.99 91.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -39.81 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.3 t80 -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.941 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.42 -43.11 51.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.744 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -30.07 71.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.902 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.05 -40.7 71.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.94 -35.11 64.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.996 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -85.13 -12.37 52.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.67 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -114.95 -50.63 2.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.299 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -74.86 -44.09 50.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.133 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -100.44 45.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -144.89 44.16 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -174.28 36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 87.75 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.524 2.15 . . . . 1.0 112.304 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.543 -0.223 . . . . 1.0 112.543 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -150.47 84.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.23 31.13 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.83 129.59 3.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 165.51 64.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.28 -59.68 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 64.64 179.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 7' ' ' MET . 15.1 ttmt 77.21 -69.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 4.7 pttt -156.92 56.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -155.18 127.63 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.85 125.68 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.015 0.436 . . . . 0.0 111.305 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -86.28 19.57 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.499 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 m -134.33 -35.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.32 -5.39 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.311 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.35 38.18 25.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.102 0.477 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mm -115.4 162.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.951 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 160.91 33.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 94.6 m-85 -137.58 136.34 37.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -85.43 5.06 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.309 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -149.1 123.39 9.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.785 0.326 . . . . 0.0 110.695 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.11 -29.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -65.29 -36.69 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.0 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 21.2 t80 -62.4 -31.75 72.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.126 0.489 . . . . 0.0 109.867 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.6 -42.02 52.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.6 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -62.87 -36.26 82.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.637 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 75.7 t60 -63.21 -55.78 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -32.99 70.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.97 -8.38 58.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.576 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 4.4 m-85 -111.69 -58.59 2.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 111.411 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.83 -46.94 33.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.369 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.36 42.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -165.35 44.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -167.97 33.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -106.12 87.67 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.567 2.178 . . . . 1.0 112.331 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.527 -0.229 . . . . 1.0 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -81.16 149.97 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.9 98.24 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.6 -49.29 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.43 64.91 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 t -99.46 29.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtt -88.8 105.61 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.545 ' HG2' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -147.83 178.9 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' CG ' ' HG2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER 70.45 49.25 0.43 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.15 129.31 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -95.18 123.44 38.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -79.02 -22.29 45.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.661 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -81.77 -40.96 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.84 -1.68 34.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.534 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 52.44 38.8 26.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 mm -109.84 162.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.8 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.98 160.21 33.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 49.8 m-85 -141.97 138.89 32.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.21 16.11 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.05 118.44 4.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 t -50.11 -27.86 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.61 92.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.542 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 28.7 m -68.34 -39.92 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.492 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 9.5 t80 -62.98 -30.92 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.906 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.67 -43.09 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.706 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.11 -31.98 73.38 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' TYR . 73.7 t60 -68.61 -41.47 79.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.784 0.326 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -35.16 65.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -85.12 -13.05 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.727 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -115.03 -50.04 2.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.68 0.276 . . . . 0.0 111.564 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' HIS . 2.1 t80 -74.9 -43.31 55.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.225 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -99.77 19.31 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.81 41.34 7.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.445 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.2 t30 51.23 29.78 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 149.36 26.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.605 2.203 . . . . 1.0 112.264 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.504 -0.238 . . . . 1.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -92.09 165.53 13.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.63 92.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.08 135.81 52.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.59 64.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.654 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.4 97.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.63 72.5 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -96.55 -78.77 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 14.8 pttt -152.07 50.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -153.8 127.63 8.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.381 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -84.87 125.14 32.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 111.249 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.39 20.2 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.467 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -134.4 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.975 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -101.18 -0.56 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.307 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 54.01 41.0 32.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.8 mm -117.42 162.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.007 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.52 161.09 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 86.7 m-85 -137.69 134.23 35.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -83.02 3.14 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -147.74 125.55 11.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.68 -30.81 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -65.27 -34.92 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -39.96 71.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.571 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.433 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.6 t80 -62.43 -31.36 72.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.929 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.63 -42.64 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.569 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.77 72.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.89 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 71.4 t60 -72.03 -44.13 63.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -26.51 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.12 -21.49 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.972 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -115.04 -44.89 2.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.73 -31.68 61.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 0.0 111.275 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -115.77 20.05 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.22 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt 47.85 41.74 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 0.0 111.347 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 52.09 72.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.45 96.71 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.557 2.171 . . . . 1.0 112.323 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.527 -0.229 . . . . 1.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -162.31 132.25 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.37 98.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.59 38.84 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 165.45 65.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.08 108.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.68 145.98 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 44.34 40.6 3.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.235 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 92.6 t80 -155.36 116.48 3.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.78 121.13 27.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.5 p -79.55 -22.28 44.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.481 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -80.06 -41.47 25.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.37 -2.75 35.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.408 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.02 38.61 30.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 10.9 mm -110.35 162.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.674 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.09 158.93 34.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 72.1 m-85 -142.1 143.11 32.9 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.909 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -95.17 -8.74 35.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -136.88 125.43 23.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 t -48.92 -28.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.1 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.346 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -66.4 -41.41 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.272 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 7.4 t80 -64.68 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.25 -45.89 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.36 73.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.533 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.65 -55.04 14.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.362 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -60.64 -29.36 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -83.77 -13.82 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.49 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -111.54 -57.89 2.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.445 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -74.89 -28.6 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.3 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -115.85 53.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -145.76 64.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 43.86 59.92 2.92 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.388 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 153.95 94.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 122.516 2.144 . . . . 1.0 112.277 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.526 -0.23 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p 58.57 38.1 25.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.15 113.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.41 -169.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 165.48 65.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.524 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -59.34 -41.4 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.098 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.3 ttm -73.15 64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 1.8 mtpt 58.18 48.63 12.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.14 126.89 7.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -85.03 126.12 33.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.204 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.2 p -86.41 19.92 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 m -134.41 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.033 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.3 m -101.26 -0.24 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.448 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.72 39.72 30.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.7 mm -115.13 162.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -130.24 161.94 30.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 91.9 m-85 -139.92 138.52 35.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -90.03 12.18 18.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -155.3 123.63 5.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.453 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 t -50.77 -29.29 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -65.41 -39.95 92.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.56 85.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.7 t80 -63.22 -30.25 71.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.993 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.62 -43.16 49.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.593 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.41 72.28 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 69.8 t60 -73.03 -42.53 63.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -73.01 -26.57 61.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.175 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -23.03 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.863 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.2 -47.46 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.83 -6.12 47.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.877 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -137.5 18.31 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.608 0.242 . . . . 0.0 111.4 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? 174.78 72.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -104.97 33.95 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -60.16 149.59 74.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.606 2.204 . . . . 1.0 112.331 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.452 -0.259 . . . . 1.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -98.33 35.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.57 31.11 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 68.67 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 165.55 64.97 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 p -58.5 159.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt 66.13 123.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -28.67 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -156.27 62.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -153.95 127.01 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 t -85.01 123.94 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -86.56 20.6 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.268 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.1 m -134.28 -35.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.293 . . . . 0.0 110.97 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.8 m -101.35 0.67 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 53.48 43.41 31.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.0 0.428 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.9 mm -119.78 162.16 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -129.54 163.53 25.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.775 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 74.5 m-85 -140.52 139.13 35.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.95 -20.21 35.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -127.41 131.03 50.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 t -52.36 -29.93 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.857 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -65.25 -32.98 74.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.538 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -41.5 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 20.9 t80 -61.87 -31.03 71.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.993 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.58 -42.5 51.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.677 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.9 71.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 72.8 t60 -73.33 -41.48 63.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -73.4 -27.41 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -84.97 -18.06 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.747 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.09 -46.93 2.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.732 0.301 . . . . 0.0 111.637 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.7 -40.49 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.341 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -109.43 49.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 44.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -166.71 77.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.1 mttp 60.66 78.94 0.3 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 122.558 2.172 . . . . 1.0 112.311 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.477 -0.249 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -98.95 32.1 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.37 36.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.51 165.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 165.4 64.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 t -118.81 82.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 ptm -176.52 142.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HG2' ' HG3' ' A' ' 9' ' ' LYS . 33.2 ttmt -150.61 -63.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -168.95 65.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -155.11 125.74 6.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -84.91 125.66 32.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 p -86.38 19.87 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.431 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -134.43 -34.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.01 -1.1 35.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.242 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.1 39.82 31.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.994 0.426 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.8 mm -116.12 161.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.059 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 159.02 39.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 97.2 m-85 -134.16 135.05 42.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.441 . . . . 0.0 110.871 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -73.32 -9.33 58.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.454 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -141.76 133.28 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.061 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -30.24 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -34.3 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -71.76 -40.22 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.158 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 19.8 t80 -61.7 -31.52 71.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.95 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.19 -42.97 54.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.5 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.01 70.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.809 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.5 t60 -73.17 -38.8 66.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.73 65.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -19.01 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.543 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -105.82 -51.42 2.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.415 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.9 -50.05 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.154 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -95.76 42.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.58 44.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -169.38 49.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp 62.47 80.15 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.553 2.169 . . . . 1.0 112.225 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.5 -0.24 . . . . 1.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -102.65 32.85 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.01 33.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.86 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 165.5 64.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.29 115.08 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.2 mtm -75.08 172.43 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HG2' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.08 -65.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -167.9 67.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -155.14 125.16 6.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -84.94 125.21 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.31 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -86.44 20.16 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.41 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.2 -0.51 35.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.264 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 53.91 40.53 31.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.956 0.408 . . . . 0.0 110.72 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.9 mm -116.68 162.01 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -133.03 158.06 43.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.671 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 85.2 m-85 -134.66 134.33 41.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -74.35 -19.86 60.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.57 129.89 50.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -29.82 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -65.13 -33.94 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.39 -41.05 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.268 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.482 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 27.1 t80 -60.99 -31.73 71.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.16 0.505 . . . . 0.0 109.952 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.19 -42.77 54.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.607 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.46 70.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 73.3 t60 -72.19 -40.65 67.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -74.58 -32.54 62.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -13.95 48.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.559 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -115.03 -49.78 2.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.66 0.266 . . . . 0.0 111.562 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -74.83 -45.84 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -100.35 45.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.989 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -147.23 65.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -134.88 33.17 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.66 75.9 0.44 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.56 2.173 . . . . 1.0 112.308 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.504 -0.238 . . . . 1.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t 60.56 162.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.05 40.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.49 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 165.51 64.97 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.9 p -94.89 39.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.231 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.5 121.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -151.62 -46.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -170.95 44.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.9 t80 -147.71 126.96 12.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.6 t -84.93 124.46 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.069 0.462 . . . . 0.0 111.196 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.48 20.54 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.346 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -134.31 -35.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.692 0.282 . . . . 0.0 110.923 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -101.64 -0.17 35.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.344 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 53.85 41.94 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.4 mm -118.27 162.16 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -131.27 160.77 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.773 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.2 m-85 -138.1 136.47 36.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.67 12.04 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -155.14 124.55 6.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.786 0.327 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -49.79 -30.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -34.27 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -38.69 66.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.696 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 t80 -64.89 -30.5 71.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.094 0.473 . . . . 0.0 109.881 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -42.82 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.668 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.5 72.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.843 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 77.6 t60 -71.82 -44.79 63.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -70.76 -27.31 63.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -18.39 34.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.861 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -115.08 -47.23 2.87 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.85 -39.31 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.204 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -111.84 50.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.382 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.49 43.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -168.55 33.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -131.71 87.29 46.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 122.52 2.147 . . . . 1.0 112.34 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.526 -0.23 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -96.57 84.19 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.23 36.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.53 105.87 9.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 165.52 64.92 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 p -95.46 38.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -165.56 135.97 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -176.35 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -134.1 51.03 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.123 0.487 . . . . 0.0 110.884 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.4 t80 -155.05 127.82 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.312 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.97 125.4 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.095 0.474 . . . . 0.0 111.162 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.3 19.76 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -134.33 -35.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.296 . . . . 0.0 110.916 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -99.29 -4.39 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.284 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.65 38.68 27.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.38 162.32 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.784 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -128.83 163.85 24.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 96.4 m-85 -141.74 142.55 33.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.238 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -82.25 -19.51 39.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.425 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -133.11 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -52.47 -28.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.34 -35.36 80.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.392 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.86 -38.95 73.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.492 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 25.6 t80 -64.2 -30.37 71.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.033 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.31 -43.96 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.614 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.568 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.4 t60 -67.93 -54.35 19.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -61.13 -28.78 69.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -84.74 -13.76 50.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.18 -53.66 2.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 111.633 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.76 -38.79 62.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.354 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.35 48.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.93 64.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 64.03 48.96 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.69 55.07 0.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.52 2.147 . . . . 1.0 112.324 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.5 mtpt . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -155.11 134.14 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -98.02 123.51 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -80.07 -23.3 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.563 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -80.07 -41.49 25.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 m -99.9 -0.89 38.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.462 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 51.91 40.98 29.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 10.5 mm -111.71 162.68 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -128.07 156.07 43.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.058 0.456 . . . . 0.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 71.4 m-85 -138.71 132.06 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.433 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -91.13 13.47 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.335 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -154.99 123.67 6.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.78 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 31.6 t -49.26 -29.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -65.4 -33.96 77.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.626 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.3 -39.75 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.46 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -63.6 -30.8 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.861 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.63 -42.97 50.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.743 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.52 71.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 81.3 t60 -72.23 -40.64 67.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -72.39 -34.28 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -21.8 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.53 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -104.18 -51.06 3.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.9 t80 -74.81 -52.56 11.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.092 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.889 0.376 . . . . 0.0 110.775 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -153.62 134.78 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.28 125.7 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 111.419 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.57 20.41 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.295 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 m -134.38 -34.87 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.723 0.297 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.21 0.67 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.351 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.55 41.73 32.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -117.05 162.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 7.3 t -131.38 163.77 27.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 82.9 m-85 -140.75 138.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.82 11.43 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.06 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -155.15 126.86 7.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.681 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 21.6 t -51.34 -29.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -36.17 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.75 -40.01 72.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.9 t80 -64.76 -29.77 70.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.071 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -75.48 -42.5 52.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.867 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.52 71.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.02 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 82.4 t60 -70.53 -41.2 72.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.713 0.292 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -74.12 -34.34 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -85.12 -14.07 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -113.77 -50.53 2.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.409 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.78 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 -179.855 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 9.9 mttt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.9 t80 -155.3 126.33 7.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.82 126.32 33.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.35 19.36 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.516 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.4 m -134.42 -35.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.28 . . . . 0.0 110.935 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.58 -3.38 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.341 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.5 37.47 28.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.514 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 11.0 mm -113.04 162.31 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.56 162.08 29.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 95.4 m-85 -139.21 137.5 36.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -82.71 1.57 38.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -149.53 129.44 13.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.709 0.29 . . . . 0.0 110.736 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 5.9 t -53.6 -29.95 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -67.55 -41.47 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.6 t80 -63.17 -29.39 70.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.086 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.33 -43.9 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.545 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.89 71.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.784 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.07 -39.27 72.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.705 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.93 -35.21 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.1 -14.99 45.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.532 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -110.36 -51.41 2.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 111.415 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.96 -49.8 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.184 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 13.6 mttt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.875 0.369 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.5 t80 -155.16 126.54 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -85.01 125.35 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.186 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.29 19.9 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.471 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -134.35 -34.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.2 m -99.67 -4.34 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.323 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.78 38.47 27.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.04 0.448 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -115.59 162.33 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.39 162.84 27.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 94.0 m-85 -140.85 136.87 32.8 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.402 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -86.81 9.94 17.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.352 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -155.43 128.56 8.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HE2' ' A' ' 9' ' ' LYS . 15.2 t -53.31 -29.53 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 0.0 110.868 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -38.87 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.426 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -40.6 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.1 t80 -63.01 -30.1 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.061 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -75.45 -43.89 47.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.513 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.59 71.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.647 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.6 t60 -70.96 -47.56 58.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -67.38 -27.74 67.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.942 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -15.73 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.868 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.01 -49.72 2.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 111.59 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.76 -36.5 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.113 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.851 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -130.76 131.0 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.45 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 t -84.97 125.18 32.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.461 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -86.43 20.07 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.463 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -101.67 0.54 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 52.99 41.49 32.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.923 0.392 . . . . 0.0 110.702 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.4 mm -116.17 162.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.0 162.68 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 65.9 m-85 -139.94 135.04 32.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -88.51 10.79 19.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.21 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -155.31 128.29 8.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.645 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 21.9 t -52.73 -30.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.89 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.717 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.68 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.599 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 23.0 t80 -63.27 -30.68 71.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 110.009 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.55 -42.14 53.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.874 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.48 71.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.106 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 79.8 t60 -71.8 -39.1 70.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.743 0.306 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -74.83 -35.27 62.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -12.15 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.645 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.09 -51.07 2.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.3 t80 -74.88 -49.0 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.133 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.986 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.891 0.377 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.8 t80 -141.15 128.87 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.585 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.87 125.68 32.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -86.26 20.01 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.559 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.0 m -134.47 -34.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.912 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -100.68 -4.55 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.25 37.99 28.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.5 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -114.17 162.18 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -133.58 156.91 46.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 77.2 m-85 -134.43 131.78 38.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.64 -1.68 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.271 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -139.08 123.52 18.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.827 0.346 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -29.91 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.91 79.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -39.96 69.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 57.7 t80 -61.32 -32.52 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.51 -41.89 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.568 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.77 71.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.883 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 77.6 t60 -70.63 -39.64 73.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -75.03 -34.83 61.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -85.12 -12.27 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -114.96 -51.01 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.667 0.27 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.87 -49.75 19.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.071 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 6.3 mtpt . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.878 0.371 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 128.3 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -84.95 127.42 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -86.33 18.97 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.593 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 m -134.51 -35.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.065 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.52 -3.75 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.35 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.62 36.68 27.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.089 0.471 . . . . 0.0 110.534 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -112.27 162.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 16' ' ' ILE . 23.3 t -130.89 161.44 31.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.9 m-85 -138.38 139.67 39.08 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -84.8 1.92 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CA ' ' HE3' ' A' ' 9' ' ' LYS . 15.4 m-85 -146.01 121.57 10.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.458 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 6.4 t -50.66 -28.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 25' ' ' LEU . 5.7 mptt -65.33 -41.87 93.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.287 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.157 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.499 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 14.9 t80 -61.25 -31.67 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.919 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 22' ' ' LYS . 8.6 mt -75.29 -43.38 51.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.437 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.9 72.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.643 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -69.19 -39.66 78.52 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.78 -35.66 64.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.01 -15.01 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -111.09 -50.79 2.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.672 0.272 . . . . 0.0 111.421 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -74.84 -47.93 27.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 5.0 mttt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.977 0.417 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 6.9 t80 -155.01 130.59 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.63 121.3 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.207 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -23.92 42.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.33 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 -41.81 32.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.94 1.28 39.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 51.86 41.59 29.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.887 0.375 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 17' ' ' SER . 8.7 mt -108.81 161.74 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.464 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -132.57 148.96 52.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' A' ' 24' ' ' TYR . 26.6 m-85 -138.45 130.3 28.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.89 12.5 21.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -149.96 121.25 7.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.85 -28.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -34.98 79.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -39.65 66.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 65.9 t80 -65.44 -29.32 69.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -75.34 -43.78 48.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.785 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.54 70.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.908 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.9 t60 -73.17 -48.54 34.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.819 0.342 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -22.09 62.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.15 -26.51 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.718 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -115.06 -42.2 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -74.81 -33.16 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.571 -179.723 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 15.7 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.415 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.3 t80 -155.16 127.85 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.85 126.08 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 p -86.4 19.95 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.538 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -134.38 -35.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.969 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.7 m -101.4 0.17 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.32 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 53.23 39.67 30.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 110.712 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.1 mm -114.08 162.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.35 162.07 29.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.6 m-85 -141.24 138.43 33.27 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 13.23 16.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.52 126.09 6.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 21' ' ' VAL . 5.7 t -53.08 -28.45 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -40.62 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.484 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -40.23 84.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 11.2 t80 -63.39 -30.56 71.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.902 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.74 -42.95 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.687 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.7 72.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.974 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.9 t60 -68.43 -42.25 79.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.795 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -73.76 -34.24 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -12.69 52.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.697 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -114.97 -50.23 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.681 0.277 . . . . 0.0 111.477 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -47.02 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.257 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mttt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.039 0.447 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -151.64 129.53 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -84.95 126.15 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 111.278 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 20.02 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.5 m -134.43 -35.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.948 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.34 -3.53 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.437 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.86 38.08 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.135 0.493 . . . . 0.0 110.568 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -113.78 162.44 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.777 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.6 t -132.06 161.22 33.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 84.1 m-85 -140.61 136.85 33.17 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -86.64 9.9 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.387 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -153.04 122.69 6.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.745 0.307 . . . . 0.0 110.659 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.84 -28.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -65.31 -38.99 91.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -39.81 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.3 t80 -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.941 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.42 -43.11 51.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.744 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -30.07 71.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.902 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.05 -40.7 71.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.94 -35.11 64.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.996 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -85.13 -12.37 52.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.67 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -114.95 -50.63 2.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.299 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -74.86 -44.09 50.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.133 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 4.7 pttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -155.18 127.63 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.85 125.68 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.015 0.436 . . . . 0.0 111.305 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -86.28 19.57 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.499 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 m -134.33 -35.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.32 -5.39 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.311 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.35 38.18 25.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.102 0.477 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -115.4 162.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -131.31 160.91 33.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 94.6 m-85 -137.58 136.34 37.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -85.43 5.06 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.309 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -149.1 123.39 9.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.785 0.326 . . . . 0.0 110.695 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.11 -29.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -65.29 -36.69 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.0 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 21.2 t80 -62.4 -31.75 72.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.126 0.489 . . . . 0.0 109.867 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.6 -42.02 52.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.6 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -62.87 -36.26 82.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.637 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 75.7 t60 -63.21 -55.78 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -32.99 70.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.97 -8.38 58.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.576 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 4.4 m-85 -111.69 -58.59 2.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 111.411 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.83 -46.94 33.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.369 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.15 129.31 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -95.18 123.44 38.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -79.02 -22.29 45.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.661 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -81.77 -40.96 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.84 -1.68 34.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.534 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 52.44 38.8 26.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 mm -109.84 162.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.8 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.98 160.21 33.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 23' ' ' THR . 49.8 m-85 -141.97 138.89 32.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.21 16.11 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.05 118.44 4.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 10.6 t -50.11 -27.86 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.61 92.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.542 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 18' ' ' PHE . 28.7 m -68.34 -39.92 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.492 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 9.5 t80 -62.98 -30.92 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.906 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.67 -43.09 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.706 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.11 -31.98 73.38 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -68.61 -41.47 79.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.784 0.326 . . . . 0.0 110.793 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -35.16 65.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -85.12 -13.05 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.727 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -115.03 -50.04 2.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.68 0.276 . . . . 0.0 111.564 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.9 -43.31 55.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.225 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.86 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 14.8 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -153.8 127.63 8.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.381 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -84.87 125.14 32.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 111.249 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.39 20.2 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.467 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -134.4 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.975 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -101.18 -0.56 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.307 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 54.01 41.0 32.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -117.42 162.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.52 161.09 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.762 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 86.7 m-85 -137.69 134.23 35.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -83.02 3.14 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -147.74 125.55 11.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.68 -30.81 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -65.27 -34.92 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -39.96 71.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.571 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.6 t80 -62.43 -31.36 72.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.929 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.63 -42.64 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.569 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.77 72.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.89 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 71.4 t60 -72.03 -44.13 63.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -26.51 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.12 -21.49 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.972 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -115.04 -44.89 2.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.73 -31.68 61.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 0.0 111.275 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.22 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 121.121 0.486 . . . . 0.0 111.235 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 92.6 t80 -155.36 116.48 3.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.78 121.13 27.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.5 p -79.55 -22.28 44.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.481 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -80.06 -41.47 25.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.37 -2.75 35.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.408 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.02 38.61 30.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -110.35 162.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.674 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.466 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -126.09 158.93 34.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 111.159 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 72.1 m-85 -142.1 143.11 32.9 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.909 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -95.17 -8.74 35.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -136.88 125.43 23.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 t -48.92 -28.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.1 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.346 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -66.4 -41.41 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.272 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 7.4 t80 -64.68 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.25 -45.89 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.36 73.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.533 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.65 -55.04 14.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.362 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -60.64 -29.36 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -83.77 -13.82 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.49 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -111.54 -57.89 2.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.445 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -74.89 -28.6 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.3 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.943 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 1.8 mtpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.14 126.89 7.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -85.03 126.12 33.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.204 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.2 p -86.41 19.92 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 m -134.41 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.033 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.3 m -101.26 -0.24 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.448 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.72 39.72 30.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.7 mm -115.13 162.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 3.4 t -130.24 161.94 30.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 91.9 m-85 -139.92 138.52 35.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -90.03 12.18 18.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -155.3 123.63 5.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.453 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 t -50.77 -29.29 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -65.41 -39.95 92.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.56 85.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.7 t80 -63.22 -30.25 71.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.993 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.62 -43.16 49.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.593 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.41 72.28 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 69.8 t60 -73.03 -42.53 63.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -73.01 -26.57 61.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.175 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -23.03 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.863 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.2 -47.46 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.83 -6.12 47.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.877 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.608 0.242 . . . . 0.0 111.4 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -153.95 127.01 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 t -85.01 123.94 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -86.56 20.6 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.268 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.1 m -134.28 -35.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.293 . . . . 0.0 110.97 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.8 m -101.35 0.67 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 53.48 43.41 31.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.0 0.428 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -119.78 162.16 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.54 163.53 25.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.775 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.5 m-85 -140.52 139.13 35.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.95 -20.21 35.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -127.41 131.03 50.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 t -52.36 -29.93 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.857 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -65.25 -32.98 74.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.538 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -41.5 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 20.9 t80 -61.87 -31.03 71.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.993 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.58 -42.5 51.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.677 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.9 71.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 72.8 t60 -73.33 -41.48 63.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -73.4 -27.41 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -84.97 -18.06 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.747 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.09 -46.93 2.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.732 0.301 . . . . 0.0 111.637 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.7 -40.49 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.341 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.852 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.975 0.417 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -155.11 125.74 6.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -84.91 125.66 32.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 p -86.38 19.87 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.431 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -134.43 -34.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.01 -1.1 35.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.242 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.1 39.82 31.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.994 0.426 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -116.12 161.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.447 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.41 159.02 39.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.586 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 97.2 m-85 -134.16 135.05 42.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.441 . . . . 0.0 110.871 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -73.32 -9.33 58.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.454 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -141.76 133.28 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.061 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -30.24 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -34.3 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -71.76 -40.22 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.158 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 19.8 t80 -61.7 -31.52 71.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.95 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.19 -42.97 54.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.5 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.01 70.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.809 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.5 t60 -73.17 -38.8 66.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.73 65.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -19.01 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.543 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -105.82 -51.42 2.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.415 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.9 -50.05 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.154 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.602 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.004 0.43 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -155.14 125.16 6.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -84.94 125.21 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.31 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -86.44 20.16 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.41 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.2 -0.51 35.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.264 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 53.91 40.53 31.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.956 0.408 . . . . 0.0 110.72 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -116.68 162.01 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -133.03 158.06 43.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.671 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 85.2 m-85 -134.66 134.33 41.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -74.35 -19.86 60.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.57 129.89 50.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -29.82 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -65.13 -33.94 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.39 -41.05 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.268 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 27.1 t80 -60.99 -31.73 71.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.16 0.505 . . . . 0.0 109.952 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.19 -42.77 54.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.607 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.46 70.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 73.3 t60 -72.19 -40.65 67.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -74.58 -32.54 62.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -13.95 48.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.559 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -115.03 -49.78 2.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.66 0.266 . . . . 0.0 111.562 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -74.83 -45.84 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.989 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.922 0.392 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.9 t80 -147.71 126.96 12.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.6 t -84.93 124.46 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.069 0.462 . . . . 0.0 111.196 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.48 20.54 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.346 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -134.31 -35.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.692 0.282 . . . . 0.0 110.923 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -101.64 -0.17 35.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.344 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 53.85 41.94 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.4 mm -118.27 162.16 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.27 160.77 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.773 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.2 m-85 -138.1 136.47 36.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.67 12.04 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -155.14 124.55 6.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.786 0.327 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 21.7 t -49.79 -30.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -34.27 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -38.69 66.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.696 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 t80 -64.89 -30.5 71.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.094 0.473 . . . . 0.0 109.881 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -75.61 -42.82 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.668 178.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.5 72.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.843 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 77.6 t60 -71.82 -44.79 63.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -70.76 -27.31 63.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -18.39 34.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.861 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -115.08 -47.23 2.87 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.85 -39.31 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.204 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.382 . . . . 0.0 110.978 -179.88 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 121.123 0.487 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.4 t80 -155.05 127.82 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.312 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.97 125.4 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.095 0.474 . . . . 0.0 111.162 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.3 19.76 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -134.33 -35.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.296 . . . . 0.0 110.916 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -99.29 -4.39 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.284 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.65 38.68 27.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -115.38 162.32 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.784 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.46 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.83 163.85 24.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 96.4 m-85 -141.74 142.55 33.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.238 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -82.25 -19.51 39.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.425 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -133.11 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -52.47 -28.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.34 -35.36 80.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.392 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.425 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.86 -38.95 73.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 25.6 t80 -64.2 -30.37 71.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.033 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.31 -43.96 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.614 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.568 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.4 t60 -67.93 -54.35 19.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -61.13 -28.78 69.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -84.74 -13.76 50.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.18 -53.66 2.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 111.633 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.76 -38.79 62.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.354 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -170.42 -169.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.09 52.46 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.08 -70.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.51 64.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 7' ' ' MET . 21.9 t -123.18 159.33 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.483 ' N ' HG12 ' A' ' 6' ' ' VAL . 2.6 tpp 64.26 171.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 5.2 ttpm? -147.25 -76.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.5 mtpt -136.78 51.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -155.11 134.14 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -98.02 123.51 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -80.07 -23.3 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.563 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -80.07 -41.49 25.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 m -99.9 -0.89 38.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.462 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 51.91 40.98 29.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 10.5 mm -111.71 162.68 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -128.07 156.07 43.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.058 0.456 . . . . 0.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 71.4 m-85 -138.71 132.06 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.433 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -91.13 13.47 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.335 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -154.99 123.67 6.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.78 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 31.6 t -49.26 -29.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -65.4 -33.96 77.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.626 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.3 -39.75 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.46 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 36.0 t80 -63.6 -30.8 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.861 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.63 -42.97 50.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.743 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.52 71.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 81.3 t60 -72.23 -40.64 67.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -72.39 -34.28 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -21.8 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.53 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -104.18 -51.06 3.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.9 t80 -74.81 -52.56 11.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.092 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -97.34 39.17 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.74 74.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -102.25 31.89 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.77 56.49 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.541 2.161 . . . . 1.0 112.289 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.121 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -138.83 116.41 11.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.07 30.07 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.96 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 165.51 64.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.26 145.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.83 79.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG2' ' HD3' ' A' ' 9' ' ' LYS . 28.6 ttmt -151.52 -85.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.0 45.88 1.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.889 0.376 . . . . 0.0 110.775 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -153.62 134.78 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.28 125.7 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 111.419 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.57 20.41 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.295 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 m -134.38 -34.87 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.723 0.297 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.21 0.67 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.351 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.55 41.73 32.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -117.05 162.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 7.3 t -131.38 163.77 27.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 82.9 m-85 -140.75 138.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.82 11.43 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.06 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -155.15 126.86 7.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.681 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 21.6 t -51.34 -29.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -36.17 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.75 -40.01 72.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.9 t80 -64.76 -29.77 70.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.071 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -75.48 -42.5 52.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.867 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.52 71.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.02 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 82.4 t60 -70.53 -41.2 72.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.713 0.292 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -74.12 -34.34 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -85.12 -14.07 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -113.77 -50.53 2.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.409 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.78 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -96.12 42.73 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.51 44.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -174.24 36.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tptp 59.92 84.46 0.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.25 1.124 0 C-N-CA 122.562 2.175 . . . . 1.0 112.275 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.65 33.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.11 38.68 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.53 51.05 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 165.45 64.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.642 HG12 ' HG3' ' A' ' 7' ' ' MET . 21.6 t -59.32 122.6 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.642 ' HG3' HG12 ' A' ' 6' ' ' VAL . 19.6 mtp 60.35 89.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.77 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 138.81 56.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 9.9 mttt 60.78 46.54 8.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.9 t80 -155.3 126.33 7.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.82 126.32 33.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.35 19.36 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.516 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.4 m -134.42 -35.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.28 . . . . 0.0 110.935 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.58 -3.38 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.341 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.5 37.47 28.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.514 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 11.0 mm -113.04 162.31 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.56 162.08 29.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 95.4 m-85 -139.21 137.5 36.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -82.71 1.57 38.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -149.53 129.44 13.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.709 0.29 . . . . 0.0 110.736 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 5.9 t -53.6 -29.95 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -67.55 -41.47 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.6 t80 -63.17 -29.39 70.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.086 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.33 -43.9 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.545 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.89 71.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.784 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.07 -39.27 72.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.705 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.93 -35.21 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.1 -14.99 45.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.532 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -110.36 -51.41 2.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 111.415 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.96 -49.8 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.184 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -95.77 42.43 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -168.89 44.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -175.0 36.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -174.97 87.62 0.31 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.066 0 C-N-CA 122.555 2.17 . . . . 1.0 112.342 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 60.37 85.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.69 40.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.26 27.71 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.203 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.48 64.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.62 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 6' ' ' VAL . 14.5 p -92.52 57.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.4 ttt -162.4 82.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -178.48 87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 13.6 mttt 59.36 49.98 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.5 t80 -155.16 126.54 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -85.01 125.35 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.186 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.29 19.9 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.471 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -134.35 -34.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.2 m -99.67 -4.34 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.323 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.78 38.47 27.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.04 0.448 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -115.59 162.33 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.39 162.84 27.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 94.0 m-85 -140.85 136.87 32.8 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.402 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -86.81 9.94 17.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.352 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -155.43 128.56 8.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HE2' ' A' ' 9' ' ' LYS . 15.2 t -53.31 -29.53 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 0.0 110.868 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -38.87 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.426 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -40.6 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.1 t80 -63.01 -30.1 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.061 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -75.45 -43.89 47.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.513 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.59 71.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.647 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.6 t60 -70.96 -47.56 58.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -67.38 -27.74 67.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.942 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -15.73 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.868 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.01 -49.72 2.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 111.59 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.76 -36.5 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.113 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -113.16 51.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 54.76 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 59.47 36.39 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -160.48 137.29 6.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.518 2.146 . . . . 1.0 112.305 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 122.8 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.831 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.97 95.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.01 35.57 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.49 64.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 8' ' ' LYS . 20.0 t -115.66 -37.66 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 tpt 61.62 83.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' HG2' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -179.15 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -134.44 40.24 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -130.76 131.0 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.45 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 t -84.97 125.18 32.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.461 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -86.43 20.07 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.463 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -101.67 0.54 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 52.99 41.49 32.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.923 0.392 . . . . 0.0 110.702 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.4 mm -116.17 162.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.0 162.68 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 65.9 m-85 -139.94 135.04 32.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -88.51 10.79 19.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.21 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -155.31 128.29 8.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.645 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 21.9 t -52.73 -30.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.89 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.717 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.68 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.599 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 23.0 t80 -63.27 -30.68 71.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 110.009 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.55 -42.14 53.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.874 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.48 71.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.106 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 79.8 t60 -71.8 -39.1 70.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.743 0.306 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -74.83 -35.27 62.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -12.15 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.645 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.09 -51.07 2.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.3 t80 -74.88 -49.0 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.133 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -98.06 43.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -145.25 44.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -160.52 39.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.31 153.31 0.11 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.569 2.18 . . . . 1.0 112.287 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p 58.6 171.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.96 54.24 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.61 70.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.044 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 165.4 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t -112.81 134.0 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.087 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 62.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' CG ' ' HG3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -79.88 -30.66 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.99 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -139.84 43.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.621 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.8 t80 -141.15 128.87 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.585 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.87 125.68 32.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -86.26 20.01 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.559 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.0 m -134.47 -34.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.912 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -100.68 -4.55 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.25 37.99 28.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.5 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -114.17 162.18 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -133.58 156.91 46.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 77.2 m-85 -134.43 131.78 38.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.64 -1.68 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.271 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -139.08 123.52 18.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.827 0.346 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -29.91 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.91 79.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -39.96 69.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 57.7 t80 -61.32 -32.52 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.51 -41.89 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.568 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.77 71.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.883 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 77.6 t60 -70.63 -39.64 73.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -75.03 -34.83 61.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -85.12 -12.27 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -114.96 -51.01 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.667 0.27 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.87 -49.75 19.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.071 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.02 39.68 1.17 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -174.84 44.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.757 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -97.99 29.84 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.98 86.09 1.77 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.557 2.171 . . . . 1.0 112.252 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 60.69 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.96 31.62 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.77 61.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 165.51 64.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.76 -25.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.96 65.88 0.43 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.081 0.467 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HG2' ' CD ' ' A' ' 9' ' ' LYS . 13.2 ttmm -58.74 120.5 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 6.3 mtpt 56.41 48.88 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.206 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 128.3 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -84.95 127.42 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -86.33 18.97 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.593 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 m -134.51 -35.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.065 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.52 -3.75 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.35 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.62 36.68 27.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.089 0.471 . . . . 0.0 110.534 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -112.27 162.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 16' ' ' ILE . 23.3 t -130.89 161.44 31.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.9 m-85 -138.38 139.67 39.08 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -84.8 1.92 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CA ' ' HE3' ' A' ' 9' ' ' LYS . 15.4 m-85 -146.01 121.57 10.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.458 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 6.4 t -50.66 -28.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 25' ' ' LEU . 5.7 mptt -65.33 -41.87 93.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.287 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.157 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.499 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 14.9 t80 -61.25 -31.67 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.919 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 22' ' ' LYS . 8.6 mt -75.29 -43.38 51.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.437 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.9 72.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.643 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -69.19 -39.66 78.52 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.78 -35.66 64.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.01 -15.01 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -111.09 -50.79 2.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.672 0.272 . . . . 0.0 111.421 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -74.84 -47.93 27.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -95.81 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.2 44.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -102.61 42.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 55.1 3.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.516 2.144 . . . . 1.0 112.294 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.63 36.26 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.05 112.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.38 -46.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 165.51 64.94 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 7' ' ' MET . 11.2 p -77.28 158.5 5.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.493 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 62.43 111.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -165.23 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 5.0 mttt -149.72 45.73 0.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.417 . . . . 0.0 110.658 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 6.9 t80 -155.01 130.59 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.63 121.3 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.207 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -23.92 42.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.33 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 -41.81 32.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.94 1.28 39.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 51.86 41.59 29.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.887 0.375 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 17' ' ' SER . 8.7 mt -108.81 161.74 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.464 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -132.57 148.96 52.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' A' ' 24' ' ' TYR . 26.6 m-85 -138.45 130.3 28.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.89 12.5 21.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -149.96 121.25 7.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.85 -28.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -34.98 79.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -39.65 66.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 65.9 t80 -65.44 -29.32 69.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -75.34 -43.78 48.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.785 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.54 70.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.908 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.9 t60 -73.17 -48.54 34.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.819 0.342 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -22.09 62.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.15 -26.51 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.718 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -115.06 -42.2 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -74.81 -33.16 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -116.9 15.67 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.571 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.31 43.55 4.22 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.659 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 56.34 31.75 19.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.59 90.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.511 2.141 . . . . 1.0 112.338 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -176.57 131.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.02 76.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . 63.45 -80.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER 165.39 64.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -92.42 -39.35 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.03 104.92 6.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' CD ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -85.77 -175.48 5.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 15.7 mttt 57.98 51.64 8.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.415 . . . . 0.0 111.059 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.3 t80 -155.16 127.85 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.85 126.08 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 p -86.4 19.95 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.538 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -134.38 -35.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.969 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.7 m -101.4 0.17 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.32 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 53.23 39.67 30.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 110.712 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.1 mm -114.08 162.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.35 162.07 29.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.6 m-85 -141.24 138.43 33.27 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 13.23 16.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.52 126.09 6.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG22 ' CD ' ' A' ' 8' ' ' LYS . 5.7 t -53.08 -28.45 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -40.62 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.484 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -40.23 84.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 11.2 t80 -63.39 -30.56 71.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.902 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.74 -42.95 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.687 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.7 72.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.974 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.9 t60 -68.43 -42.25 79.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.795 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -73.76 -34.24 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -12.69 52.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.697 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -114.97 -50.23 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.681 0.277 . . . . 0.0 111.477 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -47.02 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -95.49 19.05 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.257 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 45.82 43.41 9.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.381 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.81 30.3 15.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.51 89.11 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.249 1.071 0 C-N-CA 122.561 2.174 . . . . 1.0 112.284 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 60.46 36.27 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.45 76.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . -113.94 -75.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 165.49 64.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.561 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.79 73.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.015 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttt -82.03 121.52 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.22 84.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mttt 54.83 49.95 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.039 0.447 . . . . 0.0 111.055 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -151.64 129.53 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -84.95 126.15 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 111.278 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 20.02 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.5 m -134.43 -35.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.948 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.34 -3.53 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.437 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.86 38.08 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.135 0.493 . . . . 0.0 110.568 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -113.78 162.44 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.777 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.6 t -132.06 161.22 33.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 84.1 m-85 -140.61 136.85 33.17 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -86.64 9.9 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.387 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -153.04 122.69 6.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.745 0.307 . . . . 0.0 110.659 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.84 -28.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -65.31 -38.99 91.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -39.81 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.3 t80 -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.941 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.42 -43.11 51.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.744 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -30.07 71.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.902 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.05 -40.7 71.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.94 -35.11 64.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.996 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -85.13 -12.37 52.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.67 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -114.95 -50.63 2.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.299 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -74.86 -44.09 50.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.133 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -100.44 45.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -144.89 44.16 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -174.28 36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 87.75 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.524 2.15 . . . . 1.0 112.304 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -150.47 84.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.23 31.13 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.83 129.59 3.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 165.51 64.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 10' ' ' TYR . 21.5 t -59.28 -59.68 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 64.64 179.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' MET . 15.1 ttmt 77.21 -69.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 4.7 pttt -156.92 56.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' CD1' HG21 ' A' ' 6' ' ' VAL . 11.9 t80 -155.18 127.63 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.85 125.68 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.015 0.436 . . . . 0.0 111.305 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -86.28 19.57 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.499 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 m -134.33 -35.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.32 -5.39 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.311 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.35 38.18 25.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.102 0.477 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -115.4 162.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -131.31 160.91 33.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 94.6 m-85 -137.58 136.34 37.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -85.43 5.06 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.309 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -149.1 123.39 9.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.785 0.326 . . . . 0.0 110.695 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.11 -29.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -65.29 -36.69 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.0 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 21.2 t80 -62.4 -31.75 72.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.126 0.489 . . . . 0.0 109.867 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.6 -42.02 52.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.6 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -62.87 -36.26 82.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.637 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 75.7 t60 -63.21 -55.78 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -32.99 70.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.97 -8.38 58.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.576 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 4.4 m-85 -111.69 -58.59 2.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 111.411 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.83 -46.94 33.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.369 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.36 42.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -165.35 44.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -167.97 33.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -106.12 87.67 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.567 2.178 . . . . 1.0 112.331 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -81.16 149.97 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.9 98.24 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.6 -49.29 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.43 64.91 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 6' ' ' VAL . 13.7 t -99.46 29.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtt -88.8 105.61 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HG2' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -147.83 178.9 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' CG ' ' HG2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER 70.45 49.25 0.43 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.15 129.31 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -95.18 123.44 38.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -79.02 -22.29 45.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.661 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -81.77 -40.96 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.84 -1.68 34.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.534 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 52.44 38.8 26.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 mm -109.84 162.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.8 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.98 160.21 33.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 23' ' ' THR . 49.8 m-85 -141.97 138.89 32.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.21 16.11 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.05 118.44 4.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 10.6 t -50.11 -27.86 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.61 92.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.542 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 18' ' ' PHE . 28.7 m -68.34 -39.92 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.492 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 9.5 t80 -62.98 -30.92 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.906 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.67 -43.09 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.706 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.11 -31.98 73.38 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -68.61 -41.47 79.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.784 0.326 . . . . 0.0 110.793 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -35.16 65.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -85.12 -13.05 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.727 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -115.03 -50.04 2.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.68 0.276 . . . . 0.0 111.564 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.9 -43.31 55.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.225 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -99.77 19.31 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.81 41.34 7.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.445 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.2 t30 51.23 29.78 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 149.36 26.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.605 2.203 . . . . 1.0 112.264 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -92.09 165.53 13.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.63 92.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.08 135.81 52.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.59 64.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.654 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 6' ' ' VAL . 7.4 p -71.4 97.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.63 72.5 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -96.55 -78.77 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 14.8 pttt -152.07 50.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -153.8 127.63 8.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.381 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -84.87 125.14 32.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 111.249 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.39 20.2 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.467 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -134.4 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.975 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -101.18 -0.56 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.307 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 54.01 41.0 32.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -117.42 162.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.52 161.09 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.762 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 86.7 m-85 -137.69 134.23 35.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -83.02 3.14 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -147.74 125.55 11.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.68 -30.81 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -65.27 -34.92 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -39.96 71.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.571 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.6 t80 -62.43 -31.36 72.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.929 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.63 -42.64 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.569 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.77 72.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.89 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 71.4 t60 -72.03 -44.13 63.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -26.51 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.12 -21.49 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.972 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -115.04 -44.89 2.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.73 -31.68 61.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 0.0 111.275 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -115.77 20.05 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.22 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt 47.85 41.74 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 0.0 111.347 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 52.09 72.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.45 96.71 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.557 2.171 . . . . 1.0 112.323 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -162.31 132.25 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.37 98.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.59 38.84 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 165.45 65.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.08 108.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.68 145.98 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 44.34 40.6 3.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.235 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 92.6 t80 -155.36 116.48 3.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.78 121.13 27.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.5 p -79.55 -22.28 44.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.481 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -80.06 -41.47 25.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.37 -2.75 35.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.408 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.02 38.61 30.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -110.35 162.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.674 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.466 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -126.09 158.93 34.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 111.159 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 72.1 m-85 -142.1 143.11 32.9 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.909 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -95.17 -8.74 35.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -136.88 125.43 23.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 t -48.92 -28.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.1 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.346 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -66.4 -41.41 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.272 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 7.4 t80 -64.68 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.25 -45.89 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.36 73.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.533 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.65 -55.04 14.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.362 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -60.64 -29.36 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -83.77 -13.82 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.49 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -111.54 -57.89 2.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.445 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -74.89 -28.6 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.3 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -115.85 53.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -145.76 64.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 43.86 59.92 2.92 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.388 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 153.95 94.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 122.516 2.144 . . . . 1.0 112.277 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p 58.57 38.1 25.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.15 113.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.41 -169.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 165.48 65.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.524 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 7' ' ' MET . 12.3 p -59.34 -41.4 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 6' ' ' VAL . 29.3 ttm -73.15 64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.789 ' CD ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -105.03 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 1.8 mtpt 58.18 48.63 12.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.14 126.89 7.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -85.03 126.12 33.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.204 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.2 p -86.41 19.92 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 m -134.41 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.033 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.3 m -101.26 -0.24 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.448 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.72 39.72 30.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.7 mm -115.13 162.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 3.4 t -130.24 161.94 30.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 91.9 m-85 -139.92 138.52 35.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -90.03 12.18 18.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -155.3 123.63 5.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.453 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG22 ' CD ' ' A' ' 8' ' ' LYS . 11.1 t -50.77 -29.29 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -65.41 -39.95 92.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.56 85.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.7 t80 -63.22 -30.25 71.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.993 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.62 -43.16 49.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.593 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.41 72.28 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 69.8 t60 -73.03 -42.53 63.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -73.01 -26.57 61.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.175 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -23.03 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.863 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.2 -47.46 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.83 -6.12 47.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.877 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -137.5 18.31 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.608 0.242 . . . . 0.0 111.4 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? 174.78 72.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -104.97 33.95 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -60.16 149.59 74.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.606 2.204 . . . . 1.0 112.331 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -98.33 35.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 4' ' ' ALA . . . 60.57 31.11 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 3' ' ' ALA . . . 68.67 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 165.55 64.97 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' A' ' 7' ' ' MET . 12.9 p -58.5 159.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.503 ' HG2' HG13 ' A' ' 6' ' ' VAL . 2.7 mmt 66.13 123.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HG3' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -87.6 -28.67 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.957 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -156.27 62.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -153.95 127.01 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 t -85.01 123.94 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -86.56 20.6 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.268 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.1 m -134.28 -35.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.293 . . . . 0.0 110.97 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.8 m -101.35 0.67 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 53.48 43.41 31.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.0 0.428 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -119.78 162.16 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.54 163.53 25.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.775 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.5 m-85 -140.52 139.13 35.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.95 -20.21 35.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -127.41 131.03 50.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 t -52.36 -29.93 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.857 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -65.25 -32.98 74.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.538 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -41.5 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 20.9 t80 -61.87 -31.03 71.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.993 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.58 -42.5 51.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.677 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.9 71.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 72.8 t60 -73.33 -41.48 63.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -73.4 -27.41 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -84.97 -18.06 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.747 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.09 -46.93 2.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.732 0.301 . . . . 0.0 111.637 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.7 -40.49 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.341 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -109.43 49.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 44.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -166.71 77.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.1 mttp 60.66 78.94 0.3 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 122.558 2.172 . . . . 1.0 112.311 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -98.95 32.1 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.37 36.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.51 165.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 165.4 64.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 t -118.81 82.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 ptm -176.52 142.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HG2' ' HG3' ' A' ' 9' ' ' LYS . 33.2 ttmt -150.61 -63.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -168.95 65.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -155.11 125.74 6.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -84.91 125.66 32.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 p -86.38 19.87 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.431 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -134.43 -34.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.01 -1.1 35.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.242 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.1 39.82 31.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.994 0.426 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -116.12 161.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.447 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.41 159.02 39.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.586 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 97.2 m-85 -134.16 135.05 42.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.441 . . . . 0.0 110.871 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -73.32 -9.33 58.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.454 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -141.76 133.28 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.061 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -30.24 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -34.3 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -71.76 -40.22 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.158 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 19.8 t80 -61.7 -31.52 71.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.95 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.19 -42.97 54.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.5 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.01 70.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.809 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.5 t60 -73.17 -38.8 66.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.73 65.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -19.01 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.543 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -105.82 -51.42 2.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.415 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.9 -50.05 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.154 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -95.76 42.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.58 44.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -169.38 49.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp 62.47 80.15 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.553 2.169 . . . . 1.0 112.225 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -102.65 32.85 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.01 33.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.86 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 165.5 64.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.29 115.08 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.2 mtm -75.08 172.43 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HG2' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.08 -65.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -167.9 67.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -155.14 125.16 6.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -84.94 125.21 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.31 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -86.44 20.16 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.41 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.2 -0.51 35.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.264 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 53.91 40.53 31.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.956 0.408 . . . . 0.0 110.72 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -116.68 162.01 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -133.03 158.06 43.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.671 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 85.2 m-85 -134.66 134.33 41.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -74.35 -19.86 60.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.57 129.89 50.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -29.82 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -65.13 -33.94 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.39 -41.05 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.268 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 27.1 t80 -60.99 -31.73 71.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.16 0.505 . . . . 0.0 109.952 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.19 -42.77 54.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.607 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.46 70.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 73.3 t60 -72.19 -40.65 67.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -74.58 -32.54 62.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -13.95 48.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.559 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -115.03 -49.78 2.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.66 0.266 . . . . 0.0 111.562 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -74.83 -45.84 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -100.35 45.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.989 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -147.23 65.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -134.88 33.17 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.66 75.9 0.44 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.56 2.173 . . . . 1.0 112.308 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t 60.56 162.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.05 40.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.49 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 165.51 64.97 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.584 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.9 p -94.89 39.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.231 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.411 ' SD ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -176.5 121.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -151.62 -46.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -170.95 44.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.9 t80 -147.71 126.96 12.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.6 t -84.93 124.46 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.069 0.462 . . . . 0.0 111.196 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.48 20.54 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.346 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -134.31 -35.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.692 0.282 . . . . 0.0 110.923 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -101.64 -0.17 35.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.344 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 53.85 41.94 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.4 mm -118.27 162.16 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.27 160.77 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.773 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.2 m-85 -138.1 136.47 36.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.67 12.04 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -155.14 124.55 6.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.786 0.327 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 21.7 t -49.79 -30.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -34.27 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -38.69 66.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.696 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 t80 -64.89 -30.5 71.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.094 0.473 . . . . 0.0 109.881 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -75.61 -42.82 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.668 178.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.5 72.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.843 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 77.6 t60 -71.82 -44.79 63.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -70.76 -27.31 63.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -18.39 34.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.861 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -115.08 -47.23 2.87 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.85 -39.31 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.204 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -111.84 50.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.382 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.49 43.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -168.55 33.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -131.71 87.29 46.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 122.52 2.147 . . . . 1.0 112.34 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -96.57 84.19 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.23 36.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.53 105.87 9.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 165.52 64.92 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.7 p -95.46 38.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -165.56 135.97 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -176.35 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -134.1 51.03 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.123 0.487 . . . . 0.0 110.884 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.4 t80 -155.05 127.82 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.312 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.97 125.4 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.095 0.474 . . . . 0.0 111.162 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.3 19.76 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -134.33 -35.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.296 . . . . 0.0 110.916 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -99.29 -4.39 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.284 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.65 38.68 27.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -115.38 162.32 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.784 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.46 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.83 163.85 24.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 96.4 m-85 -141.74 142.55 33.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.238 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -82.25 -19.51 39.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.425 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -133.11 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -52.47 -28.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.34 -35.36 80.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.392 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.425 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.86 -38.95 73.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 25.6 t80 -64.2 -30.37 71.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.033 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.31 -43.96 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.614 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.568 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.4 t60 -67.93 -54.35 19.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -61.13 -28.78 69.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -84.74 -13.76 50.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.18 -53.66 2.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 111.633 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.76 -38.79 62.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.354 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.35 48.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.93 64.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 64.03 48.96 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.69 55.07 0.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.52 2.147 . . . . 1.0 112.324 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.5 mtpt . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -155.11 134.14 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -98.02 123.51 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -80.07 -23.3 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.563 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -80.07 -41.49 25.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 m -99.9 -0.89 38.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.462 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 51.91 40.98 29.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 10.5 mm -111.71 162.68 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -128.07 156.07 43.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.058 0.456 . . . . 0.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 71.4 m-85 -138.71 132.06 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.433 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -91.13 13.47 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.335 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -154.99 123.67 6.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.78 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 31.6 t -49.26 -29.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -65.4 -33.96 77.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.626 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.3 -39.75 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.46 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -63.6 -30.8 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.861 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.63 -42.97 50.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.743 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.52 71.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 81.3 t60 -72.23 -40.64 67.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -72.39 -34.28 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -21.8 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.53 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -104.18 -51.06 3.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.9 t80 -74.81 -52.56 11.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.092 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.889 0.376 . . . . 0.0 110.775 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -153.62 134.78 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.28 125.7 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 111.419 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.57 20.41 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.295 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 m -134.38 -34.87 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.723 0.297 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.21 0.67 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.351 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.55 41.73 32.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -117.05 162.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 7.3 t -131.38 163.77 27.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 82.9 m-85 -140.75 138.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.82 11.43 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.06 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -155.15 126.86 7.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.681 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 21.6 t -51.34 -29.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -36.17 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.75 -40.01 72.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.9 t80 -64.76 -29.77 70.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.071 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -75.48 -42.5 52.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.867 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.52 71.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.02 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 82.4 t60 -70.53 -41.2 72.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.713 0.292 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -74.12 -34.34 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -85.12 -14.07 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -113.77 -50.53 2.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.409 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.78 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 -179.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 9.9 mttt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.9 t80 -155.3 126.33 7.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.82 126.32 33.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.35 19.36 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.516 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.4 m -134.42 -35.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.28 . . . . 0.0 110.935 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.58 -3.38 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.341 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.5 37.47 28.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.514 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 11.0 mm -113.04 162.31 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.56 162.08 29.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 95.4 m-85 -139.21 137.5 36.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -82.71 1.57 38.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -149.53 129.44 13.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.709 0.29 . . . . 0.0 110.736 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 5.9 t -53.6 -29.95 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -67.55 -41.47 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.6 t80 -63.17 -29.39 70.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.086 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.33 -43.9 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.545 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.89 71.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.784 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.07 -39.27 72.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.705 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.93 -35.21 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.1 -14.99 45.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.532 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -110.36 -51.41 2.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 111.415 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.96 -49.8 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.184 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 13.6 mttt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.875 0.369 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.5 t80 -155.16 126.54 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -85.01 125.35 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.186 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.29 19.9 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.471 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -134.35 -34.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.2 m -99.67 -4.34 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.323 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.78 38.47 27.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.04 0.448 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -115.59 162.33 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.39 162.84 27.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 94.0 m-85 -140.85 136.87 32.8 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.402 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -86.81 9.94 17.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.352 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -155.43 128.56 8.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HE2' ' A' ' 9' ' ' LYS . 15.2 t -53.31 -29.53 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 0.0 110.868 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -38.87 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.426 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -40.6 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.1 t80 -63.01 -30.1 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.061 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -75.45 -43.89 47.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.513 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.59 71.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.647 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.6 t60 -70.96 -47.56 58.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -67.38 -27.74 67.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.942 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -15.73 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.868 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.01 -49.72 2.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 111.59 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.76 -36.5 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.113 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.851 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -130.76 131.0 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.45 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 t -84.97 125.18 32.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.461 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -86.43 20.07 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.463 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -101.67 0.54 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 52.99 41.49 32.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.923 0.392 . . . . 0.0 110.702 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.4 mm -116.17 162.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.0 162.68 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 65.9 m-85 -139.94 135.04 32.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -88.51 10.79 19.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.21 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -155.31 128.29 8.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.645 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 21.9 t -52.73 -30.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.89 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.717 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.68 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.599 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 23.0 t80 -63.27 -30.68 71.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 110.009 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.55 -42.14 53.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.874 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.48 71.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.106 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 79.8 t60 -71.8 -39.1 70.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.743 0.306 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -74.83 -35.27 62.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -12.15 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.645 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.09 -51.07 2.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.3 t80 -74.88 -49.0 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.133 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.986 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.891 0.377 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.8 t80 -141.15 128.87 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.585 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.87 125.68 32.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -86.26 20.01 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.559 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.0 m -134.47 -34.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.912 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -100.68 -4.55 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.25 37.99 28.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.5 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -114.17 162.18 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -133.58 156.91 46.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 77.2 m-85 -134.43 131.78 38.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.64 -1.68 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.271 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -139.08 123.52 18.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.827 0.346 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -29.91 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.91 79.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -39.96 69.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 57.7 t80 -61.32 -32.52 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.51 -41.89 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.568 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.77 71.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.883 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 77.6 t60 -70.63 -39.64 73.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -75.03 -34.83 61.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -85.12 -12.27 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -114.96 -51.01 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.667 0.27 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.87 -49.75 19.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.071 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 6.3 mtpt . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.878 0.371 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 128.3 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -84.95 127.42 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -86.33 18.97 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.593 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 m -134.51 -35.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.065 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.52 -3.75 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.35 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.62 36.68 27.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.089 0.471 . . . . 0.0 110.534 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -112.27 162.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 16' ' ' ILE . 23.3 t -130.89 161.44 31.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.9 m-85 -138.38 139.67 39.08 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -84.8 1.92 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CA ' ' HE3' ' A' ' 9' ' ' LYS . 15.4 m-85 -146.01 121.57 10.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.458 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 6.4 t -50.66 -28.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 25' ' ' LEU . 5.7 mptt -65.33 -41.87 93.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.287 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.157 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.499 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 14.9 t80 -61.25 -31.67 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.919 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 22' ' ' LYS . 8.6 mt -75.29 -43.38 51.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.437 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.9 72.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.643 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -69.19 -39.66 78.52 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.78 -35.66 64.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.01 -15.01 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -111.09 -50.79 2.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.672 0.272 . . . . 0.0 111.421 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -74.84 -47.93 27.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 5.0 mttt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.977 0.417 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 6.9 t80 -155.01 130.59 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.63 121.3 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.207 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -23.92 42.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.33 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 -41.81 32.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.94 1.28 39.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 51.86 41.59 29.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.887 0.375 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 17' ' ' SER . 8.7 mt -108.81 161.74 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.464 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -132.57 148.96 52.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' A' ' 24' ' ' TYR . 26.6 m-85 -138.45 130.3 28.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.89 12.5 21.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -149.96 121.25 7.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.85 -28.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -34.98 79.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -39.65 66.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 65.9 t80 -65.44 -29.32 69.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -75.34 -43.78 48.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.785 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.54 70.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.908 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.9 t60 -73.17 -48.54 34.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.819 0.342 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -22.09 62.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.15 -26.51 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.718 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -115.06 -42.2 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -74.81 -33.16 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.571 -179.723 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 15.7 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.415 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.3 t80 -155.16 127.85 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.85 126.08 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 p -86.4 19.95 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.538 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -134.38 -35.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.969 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.7 m -101.4 0.17 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.32 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 53.23 39.67 30.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 110.712 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.1 mm -114.08 162.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.35 162.07 29.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.6 m-85 -141.24 138.43 33.27 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 13.23 16.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.52 126.09 6.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 21' ' ' VAL . 5.7 t -53.08 -28.45 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -40.62 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.484 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -40.23 84.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 11.2 t80 -63.39 -30.56 71.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.902 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.74 -42.95 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.687 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.7 72.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.974 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.9 t60 -68.43 -42.25 79.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.795 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -73.76 -34.24 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -12.69 52.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.697 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -114.97 -50.23 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.681 0.277 . . . . 0.0 111.477 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -47.02 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.257 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mttt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.039 0.447 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -151.64 129.53 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -84.95 126.15 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 111.278 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 20.02 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.5 m -134.43 -35.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.948 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.34 -3.53 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.437 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.86 38.08 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.135 0.493 . . . . 0.0 110.568 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -113.78 162.44 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.777 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.6 t -132.06 161.22 33.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 84.1 m-85 -140.61 136.85 33.17 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -86.64 9.9 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.387 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -153.04 122.69 6.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.745 0.307 . . . . 0.0 110.659 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.84 -28.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -65.31 -38.99 91.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -39.81 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.3 t80 -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.941 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.42 -43.11 51.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.744 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -30.07 71.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.902 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.05 -40.7 71.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.94 -35.11 64.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.996 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -85.13 -12.37 52.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.67 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -114.95 -50.63 2.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.299 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -74.86 -44.09 50.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.133 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 4.7 pttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -155.18 127.63 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.85 125.68 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.015 0.436 . . . . 0.0 111.305 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -86.28 19.57 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.499 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 m -134.33 -35.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.32 -5.39 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.311 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.35 38.18 25.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.102 0.477 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -115.4 162.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -131.31 160.91 33.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 94.6 m-85 -137.58 136.34 37.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -85.43 5.06 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.309 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -149.1 123.39 9.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.785 0.326 . . . . 0.0 110.695 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.11 -29.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -65.29 -36.69 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.0 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 21.2 t80 -62.4 -31.75 72.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.126 0.489 . . . . 0.0 109.867 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.6 -42.02 52.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.6 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -62.87 -36.26 82.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.637 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 75.7 t60 -63.21 -55.78 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -32.99 70.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.97 -8.38 58.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.576 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 4.4 m-85 -111.69 -58.59 2.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 111.411 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.83 -46.94 33.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.369 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.15 129.31 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -95.18 123.44 38.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -79.02 -22.29 45.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.661 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -81.77 -40.96 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.84 -1.68 34.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.534 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 52.44 38.8 26.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 mm -109.84 162.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.8 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.98 160.21 33.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 23' ' ' THR . 49.8 m-85 -141.97 138.89 32.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.21 16.11 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.05 118.44 4.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 10.6 t -50.11 -27.86 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.61 92.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.542 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 18' ' ' PHE . 28.7 m -68.34 -39.92 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.492 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 9.5 t80 -62.98 -30.92 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.906 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.67 -43.09 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.706 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.11 -31.98 73.38 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -68.61 -41.47 79.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.784 0.326 . . . . 0.0 110.793 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -35.16 65.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -85.12 -13.05 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.727 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -115.03 -50.04 2.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.68 0.276 . . . . 0.0 111.564 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.9 -43.31 55.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.225 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.86 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 14.8 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -153.8 127.63 8.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.381 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -84.87 125.14 32.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 111.249 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.39 20.2 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.467 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -134.4 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.975 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -101.18 -0.56 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.307 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 54.01 41.0 32.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -117.42 162.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.52 161.09 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.762 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 86.7 m-85 -137.69 134.23 35.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -83.02 3.14 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -147.74 125.55 11.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.68 -30.81 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -65.27 -34.92 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -39.96 71.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.571 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.6 t80 -62.43 -31.36 72.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.929 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.63 -42.64 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.569 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.77 72.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.89 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 71.4 t60 -72.03 -44.13 63.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -26.51 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.12 -21.49 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.972 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -115.04 -44.89 2.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.73 -31.68 61.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 0.0 111.275 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.22 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 121.121 0.486 . . . . 0.0 111.235 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 92.6 t80 -155.36 116.48 3.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.78 121.13 27.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.5 p -79.55 -22.28 44.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.481 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -80.06 -41.47 25.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.37 -2.75 35.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.408 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.02 38.61 30.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -110.35 162.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.674 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.466 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -126.09 158.93 34.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 111.159 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 72.1 m-85 -142.1 143.11 32.9 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.909 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -95.17 -8.74 35.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -136.88 125.43 23.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 t -48.92 -28.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.1 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.346 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -66.4 -41.41 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.272 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 7.4 t80 -64.68 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.25 -45.89 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.36 73.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.533 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.65 -55.04 14.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.362 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -60.64 -29.36 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -83.77 -13.82 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.49 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -111.54 -57.89 2.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.445 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -74.89 -28.6 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.3 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.943 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 1.8 mtpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.14 126.89 7.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -85.03 126.12 33.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.204 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.2 p -86.41 19.92 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 m -134.41 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.033 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.3 m -101.26 -0.24 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.448 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.72 39.72 30.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.7 mm -115.13 162.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 3.4 t -130.24 161.94 30.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 91.9 m-85 -139.92 138.52 35.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -90.03 12.18 18.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -155.3 123.63 5.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.453 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 t -50.77 -29.29 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -65.41 -39.95 92.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.56 85.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.7 t80 -63.22 -30.25 71.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.993 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.62 -43.16 49.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.593 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.41 72.28 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 69.8 t60 -73.03 -42.53 63.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -73.01 -26.57 61.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.175 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -23.03 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.863 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.2 -47.46 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.83 -6.12 47.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.877 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.608 0.242 . . . . 0.0 111.4 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -153.95 127.01 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 t -85.01 123.94 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -86.56 20.6 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.268 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.1 m -134.28 -35.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.293 . . . . 0.0 110.97 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.8 m -101.35 0.67 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 53.48 43.41 31.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.0 0.428 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -119.78 162.16 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.54 163.53 25.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.775 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.5 m-85 -140.52 139.13 35.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.95 -20.21 35.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -127.41 131.03 50.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 t -52.36 -29.93 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.857 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -65.25 -32.98 74.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.538 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -41.5 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 20.9 t80 -61.87 -31.03 71.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.993 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.58 -42.5 51.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.677 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.9 71.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 72.8 t60 -73.33 -41.48 63.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -73.4 -27.41 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -84.97 -18.06 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.747 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.09 -46.93 2.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.732 0.301 . . . . 0.0 111.637 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.7 -40.49 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.341 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.852 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.975 0.417 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -155.11 125.74 6.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -84.91 125.66 32.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 p -86.38 19.87 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.431 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -134.43 -34.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.01 -1.1 35.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.242 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.1 39.82 31.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.994 0.426 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -116.12 161.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.447 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.41 159.02 39.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.586 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 97.2 m-85 -134.16 135.05 42.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.441 . . . . 0.0 110.871 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -73.32 -9.33 58.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.454 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -141.76 133.28 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.061 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -30.24 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -34.3 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -71.76 -40.22 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.158 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 19.8 t80 -61.7 -31.52 71.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.95 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.19 -42.97 54.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.5 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.01 70.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.809 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.5 t60 -73.17 -38.8 66.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.73 65.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -19.01 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.543 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -105.82 -51.42 2.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.415 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.9 -50.05 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.154 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.602 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.004 0.43 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -155.14 125.16 6.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -84.94 125.21 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.31 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -86.44 20.16 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.41 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.2 -0.51 35.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.264 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 53.91 40.53 31.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.956 0.408 . . . . 0.0 110.72 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -116.68 162.01 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -133.03 158.06 43.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.671 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 85.2 m-85 -134.66 134.33 41.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -74.35 -19.86 60.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.57 129.89 50.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -29.82 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -65.13 -33.94 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.39 -41.05 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.268 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 27.1 t80 -60.99 -31.73 71.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.16 0.505 . . . . 0.0 109.952 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.19 -42.77 54.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.607 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.46 70.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 73.3 t60 -72.19 -40.65 67.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -74.58 -32.54 62.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -13.95 48.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.559 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -115.03 -49.78 2.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.66 0.266 . . . . 0.0 111.562 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -74.83 -45.84 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.989 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.922 0.392 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.9 t80 -147.71 126.96 12.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.6 t -84.93 124.46 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.069 0.462 . . . . 0.0 111.196 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.48 20.54 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.346 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -134.31 -35.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.692 0.282 . . . . 0.0 110.923 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -101.64 -0.17 35.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.344 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 53.85 41.94 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.4 mm -118.27 162.16 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.27 160.77 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.773 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.2 m-85 -138.1 136.47 36.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.67 12.04 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -155.14 124.55 6.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.786 0.327 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 21.7 t -49.79 -30.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -34.27 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -38.69 66.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.696 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 t80 -64.89 -30.5 71.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.094 0.473 . . . . 0.0 109.881 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -75.61 -42.82 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.668 178.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.5 72.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.843 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 77.6 t60 -71.82 -44.79 63.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -70.76 -27.31 63.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -18.39 34.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.861 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -115.08 -47.23 2.87 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.85 -39.31 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.204 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.382 . . . . 0.0 110.978 -179.88 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 121.123 0.487 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.4 t80 -155.05 127.82 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.312 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.97 125.4 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.095 0.474 . . . . 0.0 111.162 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.3 19.76 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -134.33 -35.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.296 . . . . 0.0 110.916 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -99.29 -4.39 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.284 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.65 38.68 27.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -115.38 162.32 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.784 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.46 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.83 163.85 24.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 96.4 m-85 -141.74 142.55 33.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.238 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -82.25 -19.51 39.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.425 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -133.11 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -52.47 -28.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.34 -35.36 80.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.392 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.425 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.86 -38.95 73.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 25.6 t80 -64.2 -30.37 71.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.033 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.31 -43.96 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.614 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.568 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.4 t60 -67.93 -54.35 19.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -61.13 -28.78 69.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -84.74 -13.76 50.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.18 -53.66 2.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 111.633 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.76 -38.79 62.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.354 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -170.42 -169.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.09 52.46 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.08 -70.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.51 64.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 7' ' ' MET . 21.9 t -123.18 159.33 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.483 ' N ' HG12 ' A' ' 6' ' ' VAL . 2.6 tpp 64.26 171.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 5.2 ttpm? -147.25 -76.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.5 mtpt -136.78 51.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -155.11 134.14 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -98.02 123.51 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.9 t -80.07 -23.3 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.563 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -80.07 -41.49 25.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 m -99.9 -0.89 38.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.462 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 51.91 40.98 29.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 10.5 mm -111.71 162.68 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.73 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -128.07 156.07 43.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.058 0.456 . . . . 0.0 110.981 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 71.4 m-85 -138.71 132.06 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.433 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -91.13 13.47 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.335 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -154.99 123.67 6.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.78 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 31.6 t -49.26 -29.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -65.4 -33.96 77.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.626 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.3 -39.75 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.46 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 36.0 t80 -63.6 -30.8 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.861 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.63 -42.97 50.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.743 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.52 71.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 81.3 t60 -72.23 -40.64 67.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -72.39 -34.28 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -21.8 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.53 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -104.18 -51.06 3.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.9 t80 -74.81 -52.56 11.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.092 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -97.34 39.17 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.74 74.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -102.25 31.89 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.77 56.49 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.541 2.161 . . . . 1.0 112.289 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.121 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -138.83 116.41 11.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.07 30.07 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.96 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 165.51 64.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.26 145.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.83 79.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG2' ' HD3' ' A' ' 9' ' ' LYS . 28.6 ttmt -151.52 -85.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.0 45.88 1.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.889 0.376 . . . . 0.0 110.775 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -153.62 134.78 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.28 125.7 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 111.419 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.57 20.41 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.295 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.7 m -134.38 -34.87 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.723 0.297 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.21 0.67 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.351 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.55 41.73 32.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -117.05 162.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.964 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 7.3 t -131.38 163.77 27.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 82.9 m-85 -140.75 138.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.82 11.43 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.06 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -155.15 126.86 7.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.681 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 21.6 t -51.34 -29.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -36.17 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.642 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.75 -40.01 72.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.9 t80 -64.76 -29.77 70.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.071 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -75.48 -42.5 52.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.867 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.52 71.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.02 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 82.4 t60 -70.53 -41.2 72.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.713 0.292 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -74.12 -34.34 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -85.12 -14.07 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -113.77 -50.53 2.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.409 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.78 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -96.12 42.73 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.51 44.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -174.24 36.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tptp 59.92 84.46 0.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.25 1.124 0 C-N-CA 122.562 2.175 . . . . 1.0 112.275 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.65 33.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.11 38.68 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.53 51.05 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 165.45 64.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.642 HG12 ' HG3' ' A' ' 7' ' ' MET . 21.6 t -59.32 122.6 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.642 ' HG3' HG12 ' A' ' 6' ' ' VAL . 19.6 mtp 60.35 89.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.77 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 138.81 56.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 9.9 mttt 60.78 46.54 8.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.9 t80 -155.3 126.33 7.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.82 126.32 33.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.35 19.36 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.516 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.4 m -134.42 -35.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.28 . . . . 0.0 110.935 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.58 -3.38 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.341 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.5 37.47 28.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.514 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 11.0 mm -113.04 162.31 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.56 162.08 29.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 95.4 m-85 -139.21 137.5 36.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -82.71 1.57 38.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -149.53 129.44 13.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.709 0.29 . . . . 0.0 110.736 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 5.9 t -53.6 -29.95 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -67.55 -41.47 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.229 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.6 t80 -63.17 -29.39 70.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.086 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.33 -43.9 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.545 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.89 71.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.784 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.07 -39.27 72.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.705 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.93 -35.21 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.1 -14.99 45.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.532 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -110.36 -51.41 2.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 111.415 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.96 -49.8 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.184 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -95.77 42.43 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -168.89 44.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -175.0 36.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -174.97 87.62 0.31 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.066 0 C-N-CA 122.555 2.17 . . . . 1.0 112.342 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 60.37 85.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.69 40.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.26 27.71 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.203 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.48 64.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.62 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 6' ' ' VAL . 14.5 p -92.52 57.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.4 ttt -162.4 82.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -178.48 87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 13.6 mttt 59.36 49.98 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.5 t80 -155.16 126.54 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -85.01 125.35 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.186 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.29 19.9 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.471 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -134.35 -34.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.2 m -99.67 -4.34 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.323 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.78 38.47 27.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.04 0.448 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -115.59 162.33 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.39 162.84 27.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 94.0 m-85 -140.85 136.87 32.8 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.402 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -86.81 9.94 17.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.352 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -155.43 128.56 8.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HE2' ' A' ' 9' ' ' LYS . 15.2 t -53.31 -29.53 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 0.0 110.868 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -38.87 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.426 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -40.6 82.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.1 t80 -63.01 -30.1 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.061 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -75.45 -43.89 47.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.513 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.59 71.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.647 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.6 t60 -70.96 -47.56 58.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -67.38 -27.74 67.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.942 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -15.73 43.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.868 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.01 -49.72 2.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 111.59 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.76 -36.5 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.113 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -113.16 51.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 54.76 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 59.47 36.39 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -160.48 137.29 6.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.518 2.146 . . . . 1.0 112.305 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.33 122.8 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.831 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.97 95.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.01 35.57 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.49 64.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 8' ' ' LYS . 20.0 t -115.66 -37.66 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 tpt 61.62 83.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' HG2' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -179.15 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -134.44 40.24 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.703 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -130.76 131.0 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.45 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 t -84.97 125.18 32.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.461 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -86.43 20.07 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.463 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.07 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -101.67 0.54 36.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 52.99 41.49 32.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.923 0.392 . . . . 0.0 110.702 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.4 mm -116.17 162.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.0 162.68 27.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 65.9 m-85 -139.94 135.04 32.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -88.51 10.79 19.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.21 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -155.31 128.29 8.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.645 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 21.9 t -52.73 -30.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.89 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.717 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.68 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.599 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 23.0 t80 -63.27 -30.68 71.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 110.009 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -75.55 -42.14 53.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.874 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.48 71.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.106 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 79.8 t60 -71.8 -39.1 70.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.743 0.306 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -74.83 -35.27 62.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -12.15 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.645 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -115.09 -51.07 2.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 8.3 t80 -74.88 -49.0 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.133 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -98.06 43.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.986 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -145.25 44.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -160.52 39.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.31 153.31 0.11 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.569 2.18 . . . . 1.0 112.287 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p 58.6 171.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.96 54.24 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.61 70.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.044 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 165.4 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t -112.81 134.0 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.087 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 62.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' CG ' ' HG3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -79.88 -30.66 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.99 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -139.84 43.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 3.8 t80 -141.15 128.87 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.585 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.87 125.68 32.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -86.26 20.01 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.559 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.0 m -134.47 -34.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.912 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -100.68 -4.55 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.25 37.99 28.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.5 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 17' ' ' SER . 10.7 mm -114.17 162.18 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -133.58 156.91 46.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 77.2 m-85 -134.43 131.78 38.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.64 -1.68 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.271 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -139.08 123.52 18.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.827 0.346 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -29.91 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.91 79.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -39.96 69.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 57.7 t80 -61.32 -32.52 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.51 -41.89 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.568 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.77 71.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.883 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 77.6 t60 -70.63 -39.64 73.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -75.03 -34.83 61.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -85.12 -12.27 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -114.96 -51.01 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.667 0.27 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.87 -49.75 19.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.071 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.02 39.68 1.17 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -174.84 44.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.757 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -97.99 29.84 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.98 86.09 1.77 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.557 2.171 . . . . 1.0 112.252 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 60.69 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.96 31.62 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.77 61.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 165.51 64.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.76 -25.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.96 65.88 0.43 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.081 0.467 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HG2' ' CD ' ' A' ' 9' ' ' LYS . 13.2 ttmm -58.74 120.5 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 6.3 mtpt 56.41 48.88 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.206 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 128.3 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -84.95 127.42 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -86.33 18.97 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.593 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 m -134.51 -35.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.065 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.52 -3.75 32.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.35 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.62 36.68 27.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.089 0.471 . . . . 0.0 110.534 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -112.27 162.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 16' ' ' ILE . 23.3 t -130.89 161.44 31.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.9 m-85 -138.38 139.67 39.08 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -84.8 1.92 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CA ' ' HE3' ' A' ' 9' ' ' LYS . 15.4 m-85 -146.01 121.57 10.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.458 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 6.4 t -50.66 -28.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 25' ' ' LEU . 5.7 mptt -65.33 -41.87 93.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.287 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.157 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.499 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 14.9 t80 -61.25 -31.67 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.919 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 22' ' ' LYS . 8.6 mt -75.29 -43.38 51.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.437 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.9 72.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.643 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -69.19 -39.66 78.52 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.78 -35.66 64.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.01 -15.01 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -111.09 -50.79 2.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.672 0.272 . . . . 0.0 111.421 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -74.84 -47.93 27.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -95.81 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.2 44.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -102.61 42.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 55.1 3.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.516 2.144 . . . . 1.0 112.294 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.63 36.26 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.05 112.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.38 -46.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 165.51 64.94 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 7' ' ' MET . 11.2 p -77.28 158.5 5.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.493 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 62.43 111.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -165.23 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 5.0 mttt -149.72 45.73 0.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.417 . . . . 0.0 110.658 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 6.9 t80 -155.01 130.59 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.63 121.3 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.207 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -23.92 42.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.33 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 -41.81 32.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.94 1.28 39.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 51.86 41.59 29.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.887 0.375 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 17' ' ' SER . 8.7 mt -108.81 161.74 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.464 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -132.57 148.96 52.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' A' ' 24' ' ' TYR . 26.6 m-85 -138.45 130.3 28.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.89 12.5 21.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -149.96 121.25 7.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.85 -28.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -34.98 79.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -39.65 66.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 65.9 t80 -65.44 -29.32 69.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 mt -75.34 -43.78 48.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.785 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.54 70.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.908 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 81.9 t60 -73.17 -48.54 34.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.819 0.342 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -22.09 62.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.15 -26.51 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.718 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -115.06 -42.2 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -74.81 -33.16 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -116.9 15.67 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.571 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.31 43.55 4.22 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.659 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 56.34 31.75 19.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.59 90.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.511 2.141 . . . . 1.0 112.338 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -176.57 131.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.02 76.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . 63.45 -80.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER 165.39 64.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -92.42 -39.35 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.03 104.92 6.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' CD ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -85.77 -175.48 5.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 15.7 mttt 57.98 51.64 8.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.415 . . . . 0.0 111.059 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.3 t80 -155.16 127.85 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.85 126.08 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 p -86.4 19.95 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.538 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -134.38 -35.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.969 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.7 m -101.4 0.17 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.32 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 53.23 39.67 30.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 110.712 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 17' ' ' SER . 10.1 mm -114.08 162.43 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.35 162.07 29.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 92.6 m-85 -141.24 138.43 33.27 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 13.23 16.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.52 126.09 6.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.562 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG22 ' CD ' ' A' ' 8' ' ' LYS . 5.7 t -53.08 -28.45 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -40.62 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.484 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -40.23 84.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 11.2 t80 -63.39 -30.56 71.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.902 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.74 -42.95 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.687 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.7 72.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.974 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 72.9 t60 -68.43 -42.25 79.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.795 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -73.76 -34.24 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -12.69 52.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.697 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -114.97 -50.23 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.681 0.277 . . . . 0.0 111.477 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -47.02 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -95.49 19.05 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.257 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 45.82 43.41 9.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.381 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.81 30.3 15.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.51 89.11 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.249 1.071 0 C-N-CA 122.561 2.174 . . . . 1.0 112.284 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 60.46 36.27 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.45 76.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . -113.94 -75.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 165.49 64.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.561 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.79 73.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.015 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttt -82.03 121.52 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.22 84.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 6.0 mttt 54.83 49.95 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.039 0.447 . . . . 0.0 111.055 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -151.64 129.53 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -84.95 126.15 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 111.278 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 20.02 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.5 m -134.43 -35.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.948 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.34 -3.53 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.437 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.86 38.08 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.135 0.493 . . . . 0.0 110.568 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -113.78 162.44 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.777 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.463 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.6 t -132.06 161.22 33.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 84.1 m-85 -140.61 136.85 33.17 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -86.64 9.9 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.387 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -153.04 122.69 6.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.745 0.307 . . . . 0.0 110.659 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.84 -28.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -65.31 -38.99 91.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -39.81 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.3 t80 -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.941 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.42 -43.11 51.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.744 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -30.07 71.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.902 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.05 -40.7 71.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.94 -35.11 64.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.996 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -85.13 -12.37 52.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.67 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -114.95 -50.63 2.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.729 0.299 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -74.86 -44.09 50.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.133 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -100.44 45.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -144.89 44.16 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -174.28 36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 87.75 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.524 2.15 . . . . 1.0 112.304 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -150.47 84.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.77 0.319 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.23 31.13 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.83 129.59 3.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 165.51 64.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 10' ' ' TYR . 21.5 t -59.28 -59.68 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 64.64 179.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' MET . 15.1 ttmt 77.21 -69.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 4.7 pttt -156.92 56.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' CD1' HG21 ' A' ' 6' ' ' VAL . 11.9 t80 -155.18 127.63 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.85 125.68 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.015 0.436 . . . . 0.0 111.305 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -86.28 19.57 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.499 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 m -134.33 -35.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.32 -5.39 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.311 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.35 38.18 25.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.102 0.477 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -115.4 162.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -131.31 160.91 33.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 94.6 m-85 -137.58 136.34 37.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -85.43 5.06 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.309 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -149.1 123.39 9.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.785 0.326 . . . . 0.0 110.695 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.11 -29.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -65.29 -36.69 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.0 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 21.2 t80 -62.4 -31.75 72.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.126 0.489 . . . . 0.0 109.867 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.6 -42.02 52.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.6 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' PHE . . . -62.87 -36.26 82.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.637 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 75.7 t60 -63.21 -55.78 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -32.99 70.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.97 -8.38 58.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.576 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 4.4 m-85 -111.69 -58.59 2.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 111.411 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.83 -46.94 33.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.369 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.36 42.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -165.35 44.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -167.97 33.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -106.12 87.67 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.567 2.178 . . . . 1.0 112.331 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -81.16 149.97 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.9 98.24 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.6 -49.29 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.43 64.91 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 6' ' ' VAL . 13.7 t -99.46 29.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtt -88.8 105.61 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HG2' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -147.83 178.9 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' CG ' ' HG2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER 70.45 49.25 0.43 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.15 129.31 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -95.18 123.44 38.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -79.02 -22.29 45.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.661 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -81.77 -40.96 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.7 m -100.84 -1.68 34.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.534 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 52.44 38.8 26.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 mm -109.84 162.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.8 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.98 160.21 33.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 23' ' ' THR . 49.8 m-85 -141.97 138.89 32.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.21 16.11 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.05 118.44 4.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 10.6 t -50.11 -27.86 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.61 92.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.542 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.501 HG22 ' CD1' ' A' ' 18' ' ' PHE . 28.7 m -68.34 -39.92 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.492 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 18' ' ' PHE . 9.5 t80 -62.98 -30.92 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.906 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.67 -43.09 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.706 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.11 -31.98 73.38 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -68.61 -41.47 79.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.784 0.326 . . . . 0.0 110.793 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -35.16 65.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.882 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -85.12 -13.05 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.727 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -115.03 -50.04 2.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.68 0.276 . . . . 0.0 111.564 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.9 -43.31 55.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.225 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -99.77 19.31 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.81 41.34 7.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.445 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.2 t30 51.23 29.78 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 149.36 26.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.605 2.203 . . . . 1.0 112.264 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -92.09 165.53 13.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.63 92.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.08 135.81 52.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 165.59 64.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.654 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 6' ' ' VAL . 7.4 p -71.4 97.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.5 mmm -79.63 72.5 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -96.55 -78.77 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 14.8 pttt -152.07 50.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -153.8 127.63 8.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.381 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -84.87 125.14 32.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 111.249 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.39 20.2 2.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.467 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -134.4 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.975 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -101.18 -0.56 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.307 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 54.01 41.0 32.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -117.42 162.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.52 161.09 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.762 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 86.7 m-85 -137.69 134.23 35.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -83.02 3.14 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -147.74 125.55 11.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.68 -30.81 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -65.27 -34.92 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -39.96 71.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.571 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 14.6 t80 -62.43 -31.36 72.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.929 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.63 -42.64 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.569 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.77 72.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.89 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 71.4 t60 -72.03 -44.13 63.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -26.51 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.12 -21.49 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.972 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -115.04 -44.89 2.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.73 -31.68 61.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 0.0 111.275 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -115.77 20.05 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.22 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt 47.85 41.74 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 0.0 111.347 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 52.09 72.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.45 96.71 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.557 2.171 . . . . 1.0 112.323 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -162.31 132.25 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.37 98.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.59 38.84 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 165.45 65.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.08 108.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.68 145.98 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 44.34 40.6 3.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.235 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 92.6 t80 -155.36 116.48 3.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.78 121.13 27.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.5 p -79.55 -22.28 44.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.481 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -80.06 -41.47 25.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.37 -2.75 35.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.408 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.02 38.61 30.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 17' ' ' SER . 10.9 mm -110.35 162.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.674 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.466 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -126.09 158.93 34.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 111.159 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 72.1 m-85 -142.1 143.11 32.9 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.909 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -95.17 -8.74 35.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -136.88 125.43 23.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 t -48.92 -28.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.1 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.346 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -66.4 -41.41 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.272 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 7.4 t80 -64.68 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.25 -45.89 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.36 73.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.533 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.65 -55.04 14.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.362 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -60.64 -29.36 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -83.77 -13.82 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.49 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -111.54 -57.89 2.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.445 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -74.89 -28.6 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.3 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -115.85 53.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -145.76 64.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 43.86 59.92 2.92 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.388 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 153.95 94.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 122.516 2.144 . . . . 1.0 112.277 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p 58.57 38.1 25.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.15 113.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.41 -169.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 165.48 65.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.524 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 7' ' ' MET . 12.3 p -59.34 -41.4 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 6' ' ' VAL . 29.3 ttm -73.15 64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.789 ' CD ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -105.03 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 1.8 mtpt 58.18 48.63 12.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.14 126.89 7.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -85.03 126.12 33.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 111.204 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.2 p -86.41 19.92 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 m -134.41 -35.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.033 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.3 m -101.26 -0.24 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.448 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.72 39.72 30.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.7 mm -115.13 162.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 3.4 t -130.24 161.94 30.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 91.9 m-85 -139.92 138.52 35.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -90.03 12.18 18.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -155.3 123.63 5.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.453 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG22 ' CD ' ' A' ' 8' ' ' LYS . 11.1 t -50.77 -29.29 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -65.41 -39.95 92.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.56 85.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 9.7 t80 -63.22 -30.25 71.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.993 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.62 -43.16 49.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.593 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.41 72.28 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 69.8 t60 -73.03 -42.53 63.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -73.01 -26.57 61.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.175 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -23.03 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.863 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.2 -47.46 2.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t80 -74.83 -6.12 47.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.877 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -137.5 18.31 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.608 0.242 . . . . 0.0 111.4 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? 174.78 72.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -104.97 33.95 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -60.16 149.59 74.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.606 2.204 . . . . 1.0 112.331 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -98.33 35.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 4' ' ' ALA . . . 60.57 31.11 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 3' ' ' ALA . . . 68.67 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 165.55 64.97 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' A' ' 7' ' ' MET . 12.9 p -58.5 159.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.503 ' HG2' HG13 ' A' ' 6' ' ' VAL . 2.7 mmt 66.13 123.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HG3' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -87.6 -28.67 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.957 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -156.27 62.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -153.95 127.01 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 t -85.01 123.94 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -86.56 20.6 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.268 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.1 m -134.28 -35.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.293 . . . . 0.0 110.97 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.8 m -101.35 0.67 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 53.48 43.41 31.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.0 0.428 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -119.78 162.16 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -129.54 163.53 25.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.775 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.5 m-85 -140.52 139.13 35.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -82.95 -20.21 35.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -127.41 131.03 50.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 t -52.36 -29.93 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.857 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -65.25 -32.98 74.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.538 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -41.5 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 20.9 t80 -61.87 -31.03 71.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.993 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.58 -42.5 51.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.677 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.9 71.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 72.8 t60 -73.33 -41.48 63.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -73.4 -27.41 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -84.97 -18.06 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.747 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.09 -46.93 2.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.732 0.301 . . . . 0.0 111.637 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.7 -40.49 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.341 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -109.43 49.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 44.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -166.71 77.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.1 mttp 60.66 78.94 0.3 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 122.558 2.172 . . . . 1.0 112.311 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -98.95 32.1 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.37 36.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.51 165.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 165.4 64.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 t -118.81 82.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 ptm -176.52 142.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HG2' ' HG3' ' A' ' 9' ' ' LYS . 33.2 ttmt -150.61 -63.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -168.95 65.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -155.11 125.74 6.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.522 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -84.91 125.66 32.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.028 0.442 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 p -86.38 19.87 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.431 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -134.43 -34.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.01 -1.1 35.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.242 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.1 39.82 31.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.994 0.426 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 17' ' ' SER . 9.8 mm -116.12 161.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.447 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.41 159.02 39.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.586 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 97.2 m-85 -134.16 135.05 42.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.441 . . . . 0.0 110.871 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -73.32 -9.33 58.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.454 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -141.76 133.28 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.061 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -30.24 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -34.3 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -71.76 -40.22 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.158 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 19.8 t80 -61.7 -31.52 71.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.95 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.19 -42.97 54.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.5 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.01 70.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.809 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.5 t60 -73.17 -38.8 66.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -34.73 65.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -19.01 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.543 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -105.82 -51.42 2.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.415 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.9 -50.05 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.154 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -95.76 42.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.58 44.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -169.38 49.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp 62.47 80.15 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.553 2.169 . . . . 1.0 112.225 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -102.65 32.85 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.01 33.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.86 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 165.5 64.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.29 115.08 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.2 mtm -75.08 172.43 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HG2' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.08 -65.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -167.9 67.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 5.1 t80 -155.14 125.16 6.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -84.94 125.21 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.31 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -86.44 20.16 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.41 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.6 m -134.38 -35.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.2 -0.51 35.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.264 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 53.91 40.53 31.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.956 0.408 . . . . 0.0 110.72 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 17' ' ' SER . 9.9 mm -116.68 162.01 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -133.03 158.06 43.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.671 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 85.2 m-85 -134.66 134.33 41.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -74.35 -19.86 60.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.57 129.89 50.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -29.82 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -65.13 -33.94 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.39 -41.05 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.268 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 27.1 t80 -60.99 -31.73 71.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.16 0.505 . . . . 0.0 109.952 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.19 -42.77 54.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.607 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.46 70.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 73.3 t60 -72.19 -40.65 67.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -74.58 -32.54 62.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -13.95 48.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.559 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -115.03 -49.78 2.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.66 0.266 . . . . 0.0 111.562 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -74.83 -45.84 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -100.35 45.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.989 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -147.23 65.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -134.88 33.17 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.66 75.9 0.44 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.56 2.173 . . . . 1.0 112.308 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t 60.56 162.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.05 40.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.49 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 165.51 64.97 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.584 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.9 p -94.89 39.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.231 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.411 ' SD ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -176.5 121.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -151.62 -46.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -170.95 44.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.9 t80 -147.71 126.96 12.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.6 t -84.93 124.46 31.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.069 0.462 . . . . 0.0 111.196 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.48 20.54 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.346 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.2 m -134.31 -35.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.692 0.282 . . . . 0.0 110.923 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -101.64 -0.17 35.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.344 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 53.85 41.94 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 17' ' ' SER . 9.4 mm -118.27 162.16 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -131.27 160.77 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.773 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 74.2 m-85 -138.1 136.47 36.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.67 12.04 20.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -155.14 124.55 6.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.786 0.327 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 21.7 t -49.79 -30.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -34.27 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -38.69 66.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.696 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 t80 -64.89 -30.5 71.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.094 0.473 . . . . 0.0 109.881 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -75.61 -42.82 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.668 178.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.5 72.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.843 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CG ' ' A' ' 31' ' ' TYR . 77.6 t60 -71.82 -44.79 63.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -70.76 -27.31 63.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -18.39 34.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.861 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -115.08 -47.23 2.87 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 1.7 t80 -74.85 -39.31 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.204 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -111.84 50.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.382 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.49 43.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -168.55 33.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -131.71 87.29 46.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 122.52 2.147 . . . . 1.0 112.34 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -96.57 84.19 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.23 36.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.53 105.87 9.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 165.52 64.92 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.7 p -95.46 38.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -165.56 135.97 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -176.35 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -134.1 51.03 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.123 0.487 . . . . 0.0 110.884 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 4.4 t80 -155.05 127.82 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.312 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.97 125.4 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.095 0.474 . . . . 0.0 111.162 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.3 19.76 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -134.33 -35.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.296 . . . . 0.0 110.916 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -99.29 -4.39 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.284 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.65 38.68 27.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 17' ' ' SER . 11.1 mm -115.38 162.32 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.784 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.46 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -128.83 163.85 24.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 96.4 m-85 -141.74 142.55 33.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.238 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -82.25 -19.51 39.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.425 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -133.11 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -52.47 -28.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.34 -35.36 80.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.392 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.425 ' HB ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -70.86 -38.95 73.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 9' ' ' LYS . 25.6 t80 -64.2 -30.37 71.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.033 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.31 -43.96 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.614 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.51 72.37 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.568 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . 69.4 t60 -67.93 -54.35 19.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -61.13 -28.78 69.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -84.74 -13.76 50.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.18 -53.66 2.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 111.633 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.76 -38.79 62.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.354 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.35 48.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -144.93 64.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 64.03 48.96 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.69 55.07 0.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.52 2.147 . . . . 1.0 112.324 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_