data_1pav_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 1pav _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 ' 2' ' ' ASP . . . . . 1.12 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 6.3 t0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 1.027 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER 27.33 -15.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 15.8 ttmm -97.08 16.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.539 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.96 144.39 30.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -114.92 107.46 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.892 ' HD3' ' CG1' ' A' ' 9' ' ' ILE . 1.3 ttt-85 -158.49 178.26 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.817 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 41.6 t -115.76 105.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.661 HG23 ' CG2' ' A' ' 38' ' ' VAL . 1.3 mm -147.97 110.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.545 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -151.82 133.59 14.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.598 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -135.38 119.36 17.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.074 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.74 103.6 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.722 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.98 22.63 60.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.305 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -89.34 10.13 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.113 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 23.2 p90 57.85 -151.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.393 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 1.2 m 32.38 -20.86 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.125 ' C ' ' CD ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.96 -175.29 15.7 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.065 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.113 ' HA2' ' CE2' ' A' ' 15' ' ' TYR . . . -33.03 -26.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.598 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.509 ' CA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.27 -30.19 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 1.017 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.697 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 2.8 mm-40 -46.94 -27.33 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.339 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 2.9 mp -78.95 -57.82 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.932 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.5 -37.19 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -80.42 -13.53 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.634 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -79.12 -50.93 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.303 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 5.8 p90 -43.44 -31.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.691 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -78.27 -28.25 47.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.849 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.02 -46.46 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.129 ' HB2' ' CD ' ' A' ' 76' ' ' LYS . . . -87.14 -155.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.304 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 159.34 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.61 140.76 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 1.285 ' N ' ' O ' ' A' ' 76' ' ' LYS . . . 79.96 6.09 89.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.267 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.7 tt0 -107.91 176.7 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.539 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -138.77 155.57 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.116 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.8 pp -147.08 139.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.637 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.99 129.0 54.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.661 ' CG2' HG23 ' A' ' 9' ' ' ILE . 2.6 p -121.14 168.72 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.545 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.05 163.26 39.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.3 ' HA ' ' O ' ' A' ' 11' ' ' ALA . 37.8 t -162.96 -179.83 7.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.611 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 10.4 m -136.36 -33.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.82 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -47.82 -34.18 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 42' ' ' ASP . . . 83.31 23.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.737 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -107.8 -36.29 2.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.245 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 6.4 t -64.73 -26.6 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 1.423 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -54.28 -36.51 63.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HD3' ' HA2' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.78 -42.61 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.045 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -81.1 -40.54 23.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.404 ' CB ' ' OH ' ' A' ' 70' ' ' TYR . . . -39.47 -46.7 4.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.736 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 18.0 Cg_endo -75.02 9.24 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -114.35 -28.45 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.509 ' CE2' ' CA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -59.9 -59.04 6.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.693 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -52.32 -36.37 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.736 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -48.07 -38.26 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -100.04 -36.57 9.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.303 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -43.41 -60.63 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.826 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.86 3.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.352 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.26 158.97 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.246 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.578 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -57.29 141.45 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.9 tp -76.38 112.54 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.454 HG21 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -97.32 -179.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.581 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.13 112.88 0.97 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.739 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 21.9 t -163.67 103.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.88 ' CD1' ' HE1' ' A' ' 70' ' ' TYR . 22.6 m-30 -142.27 128.54 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.01 126.77 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.93 72.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -117.67 -25.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 41' ' ' THR . . . -166.24 -46.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.725 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -151.41 119.83 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.423 ' CD1' ' HG3' ' A' ' 46' ' ' LYS . 2.2 t80 -78.93 176.52 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.452 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 12.9 pt-20 -174.72 167.26 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.161 HG23 ' CD2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.4 157.92 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.454 ' C ' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -124.5 150.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.339 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -146.72 134.61 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.578 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.7 tttp -97.6 100.18 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.352 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 14.7 mmtt -39.11 119.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.789 ' N ' ' O ' ' A' ' 57' ' ' GLY . 86.6 t -134.85 8.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.949 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 1.5 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.984 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.78 -13.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 tppp? -100.17 17.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.466 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.05 142.85 28.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -114.79 107.67 15.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.047 ' HD3' ' CD1' ' A' ' 9' ' ' ILE . 2.0 ttt-85 -158.34 178.03 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.942 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -112.65 106.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.268 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 1.5 mt -147.65 110.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.567 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.2 p-10 -151.84 133.4 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.619 ' HB3' ' CB ' ' A' ' 19' ' ' PRO . . . -133.71 119.36 19.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.869 ' NH2' ' OG1' ' A' ' 41' ' ' THR . 10.3 mmm-85 -105.76 100.21 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.785 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 86.52 22.73 46.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.436 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.97 0.79 55.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.285 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 57.88 -151.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.328 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER 34.33 -20.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.083 ' C ' ' HD1' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.01 -159.84 2.02 Favored 'Cis proline' 0 C--N 1.361 1.214 0 C-N-CA 120.972 -2.511 . . . . 0.0 110.978 0.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.249 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.05 -27.7 31.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.619 ' CB ' ' HB3' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 -10.37 21.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.585 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.79 -31.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 1.072 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -91.98 -21.55 20.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.638 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.15 -35.11 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.432 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 96.7 mt -73.32 -53.2 11.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 1.063 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.64 -37.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.42 -13.36 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.65 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -90.47 -47.07 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.546 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.9 p90 -43.52 -32.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.44 -21.69 64.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -72.88 -46.35 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.23 ' HB1' ' CD ' ' A' ' 76' ' ' LYS . . . -85.55 -155.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.192 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 163.71 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.708 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.65 131.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 91.55 3.39 69.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.197 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.5 tp10 -108.23 176.69 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.466 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.76 159.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.028 HG22 ' HE3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.94 139.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.744 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.63 133.39 50.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.268 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 9.8 p -121.12 170.76 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.567 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.15 163.31 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -168.16 177.62 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.869 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 2.7 m -134.69 -30.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.785 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -49.55 -22.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.687 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.69 23.82 11.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.052 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.06 -39.63 2.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.65 ' CG2' ' HE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.92 -26.81 67.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HE3' ' CB ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -48.77 -35.17 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.77 -41.56 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.073 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -85.71 -32.72 21.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.412 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.63 -45.85 8.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.774 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 5.53 3.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -105.42 -34.26 7.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.585 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -47.04 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.888 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -45.55 -45.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.733 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -33.36 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -100.22 -39.63 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.546 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.53 -61.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.95 3.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.47 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.63 159.42 16.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.306 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.51 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.35 133.02 52.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.437 1.085 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 61' ' ' VAL . 4.9 tp -76.61 121.4 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.375 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.96 -179.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.607 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.43 109.51 0.71 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.607 ' CG1' ' O ' ' A' ' 62' ' ' GLY . 16.3 m -163.39 106.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 1.186 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 22.8 m-85 -141.93 125.96 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.98 129.18 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.92 72.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -117.32 -18.08 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 12' ' ' ARG . . . -165.86 -44.91 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.813 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -161.41 119.82 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.65 ' HE1' ' CG2' ' A' ' 45' ' ' THR . 6.5 p90 -81.9 146.83 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.296 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 16.4 pt-20 -148.9 169.46 20.49 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.186 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -143.51 158.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.375 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.07 157.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.294 ' SD ' ' HB3' ' A' ' 23' ' ' LEU . 1.9 mtm -151.51 137.96 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 111.062 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.51 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 ttpt -100.62 100.07 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.47 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 4.7 mmtt -42.95 112.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 57' ' ' GLY . 6.3 m -127.95 5.52 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.693 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 1.023 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 4.7 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.924 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.5 OUTLIER 29.09 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.86 17.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.527 ' HB3' ' CA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 142.7 28.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -114.51 107.36 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.014 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.13 177.88 10.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.014 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 34.1 m -113.52 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.296 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -147.75 110.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.553 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.15 133.59 14.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.621 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.55 119.6 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.016 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.91 100.69 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.55 22.79 52.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.421 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -88.97 3.79 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CG ' ' O ' ' A' ' 14' ' ' SER . 0.5 OUTLIER 57.83 -151.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.454 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 2.1 m 37.0 -20.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.235 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.096 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -75.05 179.87 29.14 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.005 0.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.072 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -29.42 -31.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.621 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.01 -7.94 19.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.595 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.92 -30.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.727 ' HA ' HG13 ' A' ' 24' ' ' ILE . 3.1 mtp -90.74 -19.82 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -54.11 -31.55 52.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.326 HD23 ' O ' ' A' ' 49' ' ' ALA . 1.8 mp -73.99 -48.47 30.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.822 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -63.39 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.99 -13.37 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.716 ' HB2' HD13 ' A' ' 36' ' ' ILE . . . -84.73 -44.55 13.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.482 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.38 -30.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.752 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.96 -22.74 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.78 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -76.98 -46.52 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.07 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -87.46 -155.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.251 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 11.8 mtpt -150.61 157.04 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.679 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.88 129.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.98 2.3 62.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.158 ' O ' ' N ' ' A' ' 76' ' ' LYS . 8.8 tp10 -108.76 176.57 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.527 ' CA ' ' HB3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.6 152.42 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.111 ' N ' ' HZ2' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -145.54 139.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.81 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.55 132.93 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.296 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -121.15 168.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.553 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.42 38.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.468 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 42.3 t -166.95 179.99 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.49 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 14.8 m -135.28 -30.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.752 ' CB ' ' H ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -49.3 -26.46 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.601 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 71.25 23.78 3.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.096 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -104.46 -39.94 2.31 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.499 1.124 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.458 ' CB ' ' HZ2' ' A' ' 52' ' ' TRP . 2.6 t -64.86 -32.09 73.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 0.717 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.02 -34.73 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.458 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.65 -34.39 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.404 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.49 -46.28 5.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.03 4.03 5.11 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.823 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.84 -27.05 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.595 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.8 -66.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 108.038 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.866 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -50.9 -30.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.558 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -44.55 -38.71 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -36.75 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.482 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.1 m -45.13 -61.5 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.04 20.88 3.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.294 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.92 159.67 16.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.478 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 2.5 tt0 -56.85 128.68 37.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.61 109.41 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.245 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -92.32 -179.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.664 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -136.28 106.77 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.672 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 33.0 m -163.34 104.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.911 ' CE1' HG13 ' A' ' 72' ' ' ILE . 6.3 m-85 -142.12 129.74 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.22 132.25 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 1.03 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.9 72.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.04 -20.61 9.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.95 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.854 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.5 OUTLIER -162.46 119.65 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.468 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 9.1 p90 -81.64 146.94 29.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.341 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.6 pt-20 -148.79 165.68 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.955 ' H ' HG13 ' A' ' 38' ' ' VAL . 2.8 mp -143.63 152.31 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.245 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.68 162.34 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.033 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -153.56 134.91 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.478 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 7.3 tttm -100.39 100.08 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.294 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -43.16 114.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 57' ' ' GLY . 2.9 m -138.18 22.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.679 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.908 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 4.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 1.103 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER 30.21 -15.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.001 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 1.6 ttmm -100.09 16.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.487 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 143.2 28.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.522 1.801 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.53 107.3 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.931 ' HD3' ' HB ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -158.54 178.19 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.747 ' O ' ' NE ' ' A' ' 7' ' ' ARG . 77.6 t -115.25 105.86 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.429 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 tt -148.04 109.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.446 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -152.01 133.53 14.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.484 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.86 119.31 17.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.015 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.76 101.5 11.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.697 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 90.09 22.77 34.36 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.451 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.75 1.39 53.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.163 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.9 OUTLIER 57.75 -151.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.142 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER 29.23 -17.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.816 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.4 Cg_endo -74.97 -148.85 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.014 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.24 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -63.85 -26.35 69.98 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.484 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -75.02 -10.65 21.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.424 1.749 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.644 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.1 -28.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 1.126 ' N ' HD21 ' A' ' 20' ' ' LEU . 7.9 mtp -95.28 -22.52 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.712 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.92 -34.57 42.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.169 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 10.4 mt -73.42 -51.9 15.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.844 ' H ' ' HB3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.6 -42.58 81.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.62 -13.43 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.673 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -82.79 -40.78 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.302 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 1.7 p90 -43.54 -30.75 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.747 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -77.82 -23.19 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.695 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.5 tt0 -77.07 -46.47 23.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.1 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -85.89 -155.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.366 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.9 mtpt -150.45 158.42 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.7 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -50.74 141.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.623 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 79.18 4.89 89.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.264 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.3 tt0 -108.17 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.487 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -139.32 159.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.408 1.068 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.112 HG22 ' CE ' ' A' ' 76' ' ' LYS . 1.9 pp -150.92 139.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.132 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.25 131.43 52.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.334 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 8.0 p -121.07 169.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.446 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.23 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.426 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.7 t -166.25 179.9 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 43' ' ' ALA . 4.9 m -134.5 -32.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -47.33 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.609 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.01 23.58 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.123 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -107.38 -41.78 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.613 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -63.81 -26.69 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.341 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -49.24 -36.19 19.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.6 -39.71 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.037 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -85.8 -37.52 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.54 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.42 -45.47 5.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 4.44 4.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.58 -34.75 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.644 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.22 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 1.195 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -41.21 -46.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.572 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 6.5 tt0 -33.2 -38.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -100.47 -39.89 7.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.302 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -41.01 -62.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.707 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.14 20.94 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.566 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -110.58 158.02 19.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 110.33 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.642 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.33 135.11 53.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 61' ' ' VAL . 7.7 tp -76.54 122.92 25.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.198 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -104.7 -179.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.578 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.64 102.33 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.694 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 4.4 m -159.39 101.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.909 ' CE1' HG13 ' A' ' 72' ' ' ILE . 5.7 m-85 -142.32 127.49 18.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.01 136.24 10.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HD3' ' H ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.92 72.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -112.29 -24.37 9.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.97 -40.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.835 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -160.58 119.82 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.613 ' CE1' HG23 ' A' ' 45' ' ' THR . 11.0 p90 -80.99 147.52 30.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.308 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.5 pt-20 -148.97 165.91 30.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.169 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.1 mp -143.49 157.87 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.198 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -121.09 164.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.05 ' SD ' ' HB3' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -155.53 130.75 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.642 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.5 tttm -92.26 100.1 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.566 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 8.3 mmtt -43.49 114.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.707 ' N ' ' O ' ' A' ' 57' ' ' GLY . 95.3 t -130.37 8.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.94 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 1.5 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 1.006 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.0 OUTLIER 26.51 -19.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.99 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -98.57 16.78 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.99 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 142.87 28.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.867 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -109.06 107.23 17.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.25 ' HE ' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -158.4 177.98 10.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 9' ' ' ILE . 4.5 m -120.8 105.1 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.376 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.615 ' CB ' HG23 ' A' ' 38' ' ' VAL . 2.1 mp -148.64 110.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 31.8 p-10 -151.91 133.73 14.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.456 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -129.4 119.55 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.131 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.32 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.669 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 91.27 22.7 31.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.443 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -91.16 -0.8 57.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.086 ' HD1' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 57.65 -151.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.936 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.443 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 33.72 -18.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.915 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.4 Cg_endo -75.0 -157.51 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.028 -0.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.349 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.56 -29.05 38.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.585 1.178 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.456 ' CB ' ' HB2' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.05 -11.81 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.691 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -39.67 -29.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.775 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.6 mtt -92.63 -18.58 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.767 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.04 -30.38 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.421 ' CB ' ' CB ' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -73.37 -44.43 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.949 HG23 ' HA ' ' A' ' 52' ' ' TRP . 2.2 pp -67.72 -37.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.78 -13.37 60.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.776 ' CB ' HD11 ' A' ' 36' ' ' ILE . . . -79.12 -46.52 17.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.292 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 9.7 p90 -43.82 -41.36 4.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.827 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 1.25 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.95 -46.31 24.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.091 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -90.33 -155.54 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.613 ' H ' ' HG3' ' A' ' 76' ' ' LYS . 9.2 mtpt -150.33 158.67 44.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.668 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.71 138.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.4 1.063 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.549 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 77.29 13.85 83.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.884 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.84 176.68 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.714 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.867 HG21 ' N ' ' A' ' 6' ' ' ASP . 5.2 m -131.36 141.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.924 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -150.61 132.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.09 ' O ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -108.69 133.78 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.615 HG23 ' CB ' ' A' ' 9' ' ' ILE . 41.5 t -121.16 164.43 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.34 39.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.538 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.5 t -164.76 179.12 6.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 15.0 m -134.61 -32.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.669 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -46.8 -21.33 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.761 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.79 23.8 11.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.096 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.5 -41.22 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.615 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.03 -26.87 68.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 0.811 . . . . 0.0 110.35 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' NZ ' ' HB3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -46.85 -34.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.665 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.62 -40.24 12.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.205 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.7 -35.45 20.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.376 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -39.61 -47.32 4.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.889 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.7 Cg_endo -74.9 3.39 5.6 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.451 1.764 . . . . 0.0 111.057 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.54 -28.51 10.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.691 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -53.29 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.888 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -51.48 -40.38 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.645 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -41.3 -38.7 1.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.41 -39.71 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.292 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.51 -64.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.947 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.28 20.85 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.218 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.12 162.2 15.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.618 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -56.26 129.02 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 61' ' ' VAL . 4.9 tp -76.63 119.51 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.456 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -103.33 179.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.14 110.01 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.425 1.078 . . . . 0.0 111.061 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.591 ' CG1' ' O ' ' A' ' 62' ' ' GLY . 10.8 m -163.71 106.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 1.128 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 23.8 m-85 -142.02 125.33 16.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.26 135.73 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.228 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.76 72.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -113.92 -21.47 10.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' O ' HG21 ' A' ' 41' ' ' THR . . . -166.03 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.913 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.4 p90 -162.33 119.82 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.615 ' CE1' HG23 ' A' ' 45' ' ' THR . 13.8 p90 -77.97 146.64 35.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.421 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 2.8 pt-20 -149.19 168.02 24.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.128 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -143.66 156.85 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.456 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -115.72 156.09 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.152 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -149.38 127.92 12.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.618 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 9.1 tttp -97.63 99.92 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.218 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 3.5 mmpt? -40.27 113.83 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.716 ' H ' ' HA ' ' A' ' 58' ' ' GLN . 10.3 t -142.8 19.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.416 1.072 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.947 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 1.101 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 2.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.95 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.5 OUTLIER 25.23 -16.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 6.5 tptp -98.54 17.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.544 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 143.02 28.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -115.18 107.58 15.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.254 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.4 178.29 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.254 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -114.67 105.77 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.264 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 1.2 tt -148.01 110.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.518 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.07 133.62 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.588 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.13 119.46 19.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.041 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.66 101.15 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.766 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.94 22.59 57.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.253 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -91.09 5.4 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.072 ' HD1' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 57.74 -151.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.072 ' N ' ' HD1' ' A' ' 15' ' ' TYR . 4.4 m 40.8 -18.51 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 108.321 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.354 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 18.5 Cg_endo -74.97 160.61 96.3 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.076 -0.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.954 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -5.33 -36.09 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.588 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 -7.23 18.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.63 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -42.96 -30.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.97 ' O ' HG13 ' A' ' 24' ' ' ILE . 3.3 mtt -89.08 -25.38 21.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.766 ' O ' HD13 ' A' ' 9' ' ' ILE . 3.5 mm-40 -47.06 -32.58 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.419 ' CB ' ' CB ' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -73.6 -45.74 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.97 HG13 ' O ' ' A' ' 21' ' ' MET . 1.2 pp -63.7 -37.18 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -81.46 -13.31 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 22' ' ' GLU . . . -76.87 -46.53 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.286 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 7.2 p90 -43.54 -35.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.718 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -76.02 -26.38 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.783 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -77.19 -46.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.946 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.87 -155.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.26 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.827 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.7 146.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.596 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 75.11 6.32 79.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.222 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.4 tt0 -110.96 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.544 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.69 153.77 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.219 ' N ' ' HZ1' ' A' ' 76' ' ' LYS . 1.3 pt -147.25 139.14 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.19 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.03 132.72 50.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.264 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 11.1 p -120.97 167.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.518 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.25 163.23 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.34 ' O ' ' N ' ' A' ' 70' ' ' TYR . 44.7 t -168.05 -179.95 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.604 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 4.0 m -134.05 -31.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.766 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -47.1 -34.12 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.513 ' N ' ' CD2' ' A' ' 70' ' ' TYR . . . 79.77 23.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.054 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -105.73 -38.03 2.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.125 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.4 t -64.91 -34.86 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 110.406 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.618 ' NZ ' ' HG3' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -46.01 -33.18 3.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.7 ' CG ' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.36 -49.23 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.354 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.438 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.61 -34.18 21.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.428 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.41 -46.69 8.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 3.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -109.15 -27.23 9.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.63 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -50.35 -55.45 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.942 HD12 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.69 -39.24 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.687 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 7.5 tt0 -40.56 -38.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -39.57 7.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.286 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -42.41 -59.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.766 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.92 20.85 3.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.378 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.14 170.09 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.499 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -68.07 141.36 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.617 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -76.4 109.42 10.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.417 HG23 ' C ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.54 152.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.582 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -110.97 106.25 2.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.813 ' O ' ' O ' ' A' ' 71' ' ' GLU . 54.3 t -161.18 99.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.892 ' CE1' HG13 ' A' ' 72' ' ' ILE . 3.6 m-85 -142.08 129.18 20.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -158.08 129.19 6.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HG3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.96 72.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -119.49 -20.12 7.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.96 -40.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.886 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -161.39 119.83 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.34 ' N ' ' O ' ' A' ' 40' ' ' SER . 16.1 p90 -81.58 148.27 29.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.293 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 5.2 pt-20 -148.83 164.53 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.187 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.8 mp -143.49 146.87 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.417 ' C ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -108.87 157.88 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.258 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -148.2 135.02 20.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.499 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 26.5 tttp -99.71 100.22 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -43.64 115.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.728 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 15.9 m -132.84 13.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.827 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 1.024 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 2.8 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 1.409 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.7 OUTLIER 29.49 -20.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.999 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 10.3 ttmt -99.73 16.62 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.999 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.4 Cg_endo -74.97 142.87 28.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -112.86 107.36 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.132 ' NH1' ' HB3' ' A' ' 29' ' ' GLN . 7.4 ttt85 -158.54 178.37 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.67 ' H ' ' CG ' ' A' ' 7' ' ' ARG . 99.4 t -112.88 105.41 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.432 ' CG2' HG21 ' A' ' 38' ' ' VAL . 9.0 mt -148.25 110.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.547 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.7 p-10 -151.41 133.54 15.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.536 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.34 119.48 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.175 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.4 11.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.805 ' HA2' ' OD1' ' A' ' 42' ' ' ASP . . . 83.39 22.72 56.09 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.585 1.178 . . . . 0.0 111.051 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.462 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -85.16 4.94 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.098 ' CD2' ' O ' ' A' ' 14' ' ' SER . 29.8 p90 57.82 -151.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.364 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER 28.61 -17.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.874 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.0 -151.49 0.66 Allowed 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.982 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.279 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -58.29 -26.45 59.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.536 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 -10.16 21.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.613 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.57 -30.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.985 ' N ' HD23 ' A' ' 20' ' ' LEU . 2.7 mtt -91.28 -23.55 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -51.66 -29.74 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.335 ' CB ' ' CB ' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -76.86 -46.75 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.781 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . 1.1 pt -66.45 -40.92 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.51 -13.32 60.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.748 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -82.69 -45.59 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.257 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.4 p90 -43.49 -26.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.671 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.2 -26.31 39.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 1.132 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.9 tt0 -77.06 -46.42 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.036 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -86.7 -155.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.324 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 154.36 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.82 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.85 124.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.433 ' N ' ' HA ' ' A' ' 77' ' ' VAL . . . 94.99 10.91 57.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.062 ' O ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.46 176.73 5.02 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.024 ' CG1' ' CB ' ' A' ' 2' ' ' ASP . 12.3 m -130.03 147.11 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.045 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 4.9 pt -150.91 134.47 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.51 ' HA ' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -108.8 134.28 51.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.432 HG21 ' CG2' ' A' ' 9' ' ' ILE . 2.7 p -121.24 168.53 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.547 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.3 39.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 33.8 t -168.73 179.51 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.775 ' OG1' ' CD1' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -134.1 -34.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.874 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -43.67 -22.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.82 23.72 11.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.131 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.32 -39.21 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.662 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -67.16 -26.62 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.771 . . . . 0.0 110.443 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.587 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -47.85 -35.71 10.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.64 -40.0 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.104 ' OD2' ' SG ' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -85.6 -40.33 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.566 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.03 -47.69 5.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HD3' ' HB2' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.94 4.07 5.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -107.57 -28.32 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.613 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -52.95 -54.27 37.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.87 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -53.83 -37.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -46.05 -38.6 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HD3' ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -100.17 -36.24 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.257 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -46.47 -61.72 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.14 20.81 3.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.293 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.08 161.74 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.248 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.616 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.43 141.33 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 61' ' ' VAL . 7.4 tp -84.96 117.84 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.425 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -109.08 -179.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -134.85 109.73 0.79 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.721 ' O ' ' O ' ' A' ' 71' ' ' GLU . 53.7 t -161.76 98.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.965 ' CE1' HG13 ' A' ' 72' ' ' ILE . 2.0 m-85 -142.17 127.93 19.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.0 137.49 11.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 72.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -116.22 -21.62 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.671 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -165.97 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 1.104 ' CE1' ' HG3' ' A' ' 12' ' ' ARG . 3.6 m-85 -162.54 119.67 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 0.739 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.662 ' CE1' HG23 ' A' ' 45' ' ' THR . 9.4 p90 -80.8 146.68 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.39 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 12.0 pt-20 -149.1 171.37 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.965 HG13 ' CE1' ' A' ' 64' ' ' PHE . 2.0 mp -143.51 153.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.425 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -115.01 146.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.052 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -143.27 128.04 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.616 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 tttp -94.58 100.06 12.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.324 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -40.62 115.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.699 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 65.3 t -140.38 15.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.934 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 1.194 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 5.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.941 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 28.11 -16.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.0 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -99.6 16.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.0 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.5 Cg_endo -74.93 143.34 29.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -112.9 107.24 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.039 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.24 178.05 10.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.039 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 74.1 t -114.23 105.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.308 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -148.01 110.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.613 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -152.18 133.62 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.642 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.11 119.52 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.092 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.86 102.03 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.784 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.88 22.85 60.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.24 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -89.7 3.34 53.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.048 ' HD1' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 57.59 -151.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.507 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m 42.12 -19.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.278 ' C ' ' CD ' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.05 160.89 95.85 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.944 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.921 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -8.58 -36.01 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.642 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.03 -5.68 17.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.56 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -46.52 -28.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 1.051 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.4 mtt -96.72 -15.77 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.715 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -47.58 -38.99 15.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.206 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 62.6 mt -73.37 -52.38 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 1.121 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.3 pp -51.16 -37.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.729 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -93.06 -13.39 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . . . -88.51 -43.31 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.528 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.56 -35.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.86 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -66.26 -21.78 66.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -71.81 -46.44 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.372 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.33 -155.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.366 1.041 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.239 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.62 165.46 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 1.444 HG22 ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -52.12 135.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.227 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.573 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 82.79 7.07 87.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.599 1.187 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.0 tt0 -103.04 176.56 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.194 ' CG1' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -140.71 149.44 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.009 HG22 ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -150.49 138.44 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.297 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.76 134.56 47.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.308 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 13.6 p -120.97 167.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.613 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.32 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.386 ' OG ' ' CE2' ' A' ' 70' ' ' TYR . 42.9 t -165.95 179.93 5.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -135.73 -27.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.784 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -54.54 -30.1 52.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 75.01 23.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.061 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -102.44 -40.14 2.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.185 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.6 t -64.67 -35.01 79.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.568 ' N ' HG21 ' A' ' 45' ' ' THR . 0.0 OUTLIER -44.64 -33.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.702 ' CG ' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.69 -48.65 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.471 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.68 -27.49 25.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.337 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -43.46 -44.66 14.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.761 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.94 1.28 7.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.714 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -101.73 -36.09 8.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.56 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -46.91 -68.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.849 ' HB ' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -44.68 -41.02 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.714 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.8 tt0 -43.81 -38.68 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.766 ' HG3' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.34 -21.5 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.528 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.8 m -61.82 -61.47 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.914 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.74 3.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.049 ' NE2' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -111.95 160.75 17.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 0.753 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.596 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.42 132.39 51.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 61' ' ' VAL . 2.2 tp -76.51 109.9 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.941 HG13 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -96.82 -179.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.613 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -134.21 111.18 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.613 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 50.1 t -162.61 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 1.136 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.9 m-85 -142.25 122.17 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.04 132.16 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.83 72.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -115.65 -18.32 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.699 ' C ' ' CD1' ' A' ' 69' ' ' TYR . . . -165.99 -46.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.983 ' CA ' ' O ' ' A' ' 40' ' ' SER . 57.0 m-85 -159.65 119.73 3.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.387 ' OH ' ' CD ' ' A' ' 19' ' ' PRO . 2.9 p90 -80.77 146.74 30.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.351 ' HB3' ' CA ' ' A' ' 39' ' ' TYR . 16.7 pt-20 -149.48 174.39 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.169 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -143.51 157.56 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.219 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.893 ' HB ' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.79 142.35 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.918 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -143.86 125.99 15.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.596 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.5 ttpp -84.1 100.17 10.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.372 ' HG3' ' CB ' ' A' ' 30' ' ' ALA . 5.9 mmtt -43.79 110.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 1.444 ' C ' HG22 ' A' ' 32' ' ' VAL . 35.7 m -146.77 30.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 1.401 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 1.049 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 1.184 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.87 -25.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.998 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -100.18 16.89 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.049 ' HD3' ' C ' ' A' ' 2' ' ' ASP . 18.5 Cg_endo -75.0 142.83 28.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -113.29 107.55 16.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.162 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -158.37 178.18 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.687 ' H ' ' CG ' ' A' ' 7' ' ' ARG . 3.6 m -114.15 105.5 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.381 1.051 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.454 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 19.4 mm -148.24 110.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.615 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 5.4 p-10 -151.89 133.42 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.519 ' HB3' ' CB ' ' A' ' 19' ' ' PRO . . . -132.73 119.43 20.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.717 ' NH2' ' HB3' ' A' ' 69' ' ' TYR . 10.6 mmm-85 -105.76 104.02 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.827 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.94 22.87 51.59 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.438 1.087 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.43 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.64 2.14 51.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 0.823 . . . . 0.0 110.04 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.316 ' CD1' ' O ' ' A' ' 14' ' ' SER . 33.6 p90 57.72 -151.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.404 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 30.8 -16.86 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.303 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.922 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -149.6 0.52 Allowed 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.358 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -59.17 -29.5 65.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.519 ' CB ' ' HB3' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.07 -10.96 21.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.589 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.01 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.823 ' O ' HG13 ' A' ' 24' ' ' ILE . 4.0 mtt -98.68 -14.95 19.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.702 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -52.89 -36.92 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.442 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 15.9 mt -73.21 -53.75 10.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.965 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.6 pp -50.72 -37.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.17 -13.35 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -81.72 -46.21 14.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.171 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.9 p90 -43.48 -31.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.746 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.15 -26.29 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.658 ' HG3' ' NH2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -77.1 -46.38 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.113 ' HB2' ' CD ' ' A' ' 76' ' ' LYS . . . -85.46 -155.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.283 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.96 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.769 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.74 117.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.49 14.85 39.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.175 ' HB3' ' CG ' ' A' ' 76' ' ' LYS . 3.9 tp10 -102.91 176.67 5.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.047 HG13 ' OD1' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -129.93 140.15 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.236 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -151.23 133.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.701 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -108.81 135.83 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.454 ' CG2' ' CG2' ' A' ' 9' ' ' ILE . 4.3 p -121.17 165.32 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.615 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.17 163.24 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 111.082 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.544 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -167.26 179.92 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.969 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.582 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 1.8 m -135.38 -32.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.827 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -44.45 -22.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.718 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.54 23.68 10.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 1.085 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.2 -40.11 1.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.606 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -65.55 -26.8 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.421 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.98 -34.59 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.658 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.76 -41.34 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.143 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.75 -34.07 21.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.515 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -42.91 -47.12 13.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -74.99 6.93 3.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.566 1.824 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.45 -35.61 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.589 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.06 -68.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.728 HG13 ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -42.97 -47.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.536 ' N ' HD11 ' A' ' 53' ' ' ILE . 1.6 tt0 -35.33 -38.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -100.23 -39.79 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.171 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.4 m -39.4 -60.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.984 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.924 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.91 3.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.272 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.08 160.9 17.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.7 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.583 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.41 140.28 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 61' ' ' VAL . 6.8 tp -76.43 120.89 22.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.184 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -108.72 178.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.692 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.58 110.0 0.73 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.83 ' O ' ' HD1' ' A' ' 64' ' ' PHE . 53.9 t -163.28 93.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.923 ' CE1' ' CD1' ' A' ' 72' ' ' ILE . 1.2 m-85 -139.39 125.92 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -157.99 136.31 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.83 72.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -119.32 -18.86 8.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.83 -44.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.839 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.0 OUTLIER -162.53 119.72 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 110.993 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.606 ' CE1' HG23 ' A' ' 45' ' ' THR . 9.5 p90 -80.64 148.25 30.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.36 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -148.97 175.83 10.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.037 HG13 ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.46 158.02 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.677 ' CG2' ' HB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -128.56 140.42 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.191 ' CE ' ' HB3' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.94 140.64 34.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.583 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 8.2 tttt -100.81 100.12 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.283 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 14.4 mmtt -39.12 116.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.73 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 14.1 t -140.16 13.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.924 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 1.099 ' CG ' HG13 ' A' ' 35' ' ' VAL . 7.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.948 ' H ' HG13 ' A' ' 61' ' ' VAL . 1.2 t 27.37 -16.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 1.004 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 tttp -99.82 16.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.604 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.93 142.87 28.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.818 ' H ' HG21 ' A' ' 35' ' ' VAL . 4.2 p30 -114.97 107.48 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 1.17 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -158.38 178.06 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' O ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -115.52 105.69 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.24 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 mm -148.14 109.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 1.635 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 2.6 p-10 -152.2 133.59 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.631 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -130.98 119.29 21.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 1.027 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.82 105.14 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.721 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.44 22.87 57.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.433 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -92.88 4.89 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.052 ' CD2' ' O ' ' A' ' 14' ' ' SER . 19.2 p90 57.8 -151.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.437 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.1 m 32.61 -20.31 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 1.055 ' CD ' ' CE2' ' A' ' 70' ' ' TYR . 18.2 Cg_endo -75.0 -171.31 9.21 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.049 -0.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 1.065 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -40.06 -27.24 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.631 ' CB ' ' HB2' ' A' ' 11' ' ' ALA . 18.5 Cg_endo -74.9 -8.01 19.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 1.573 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.92 -25.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 1.011 ' N ' HD23 ' A' ' 20' ' ' LEU . 4.1 mtp -95.13 -22.37 17.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.665 ' N ' ' O ' ' A' ' 19' ' ' PRO . 3.1 mm-40 -46.55 -37.46 8.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 1.171 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 84.6 mt -73.86 -46.47 44.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.872 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.8 pt -56.36 -37.07 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -83.34 -13.45 55.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . . . -80.05 -48.83 12.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.323 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 4.7 p90 -43.56 -32.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.737 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -73.25 -25.73 60.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.814 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.43 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.205 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.44 -155.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 1.271 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 10.8 mtpt -150.46 160.89 43.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.622 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.76 118.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.207 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.26 36.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.907 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.78 176.73 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.604 ' HB ' ' CB ' ' A' ' 5' ' ' PRO . 4.9 m -132.81 140.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.17 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.97 136.0 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.81 134.35 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.253 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 5.3 p -121.14 164.15 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.635 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.23 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 1.633 ' HB3' ' CD2' ' A' ' 70' ' ' TYR . 38.0 t -158.08 178.51 10.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.0 m -134.31 -34.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.459 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.721 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -42.11 -49.26 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.634 ' CB ' ' O ' ' A' ' 42' ' ' ASP . . . 94.17 23.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.779 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -118.61 -22.87 3.56 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 1.09 HG21 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -80.87 -26.53 36.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 0.805 . . . . 0.0 110.451 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 1.137 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -46.61 -31.38 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HD3' ' C ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -89.32 -43.92 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 1.001 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.53 -26.44 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 1.085 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.64 -48.81 7.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.633 ' HG3' ' HZ ' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.05 2.66 6.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.69 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -97.85 -33.49 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 1.573 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.16 -63.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 1.437 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -49.47 -35.19 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -52.59 -38.54 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -100.08 -23.24 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.323 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -59.28 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.88 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.95 20.82 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 1.308 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.69 161.9 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.572 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -56.26 135.44 53.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 61' ' ' VAL . 3.1 tp -76.38 109.66 10.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.078 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.511 HG22 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -95.48 179.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.685 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.58 114.16 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.743 ' CG2' ' HA ' ' A' ' 72' ' ' ILE . 33.7 m -163.81 105.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 1.07 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.2 m-30 -138.85 130.64 27.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 3.1 t0 -157.92 125.52 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.95 72.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.214 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -118.47 -24.08 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.82 -45.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.613 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -154.65 122.49 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.633 ' CD2' ' HB3' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.07 176.44 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 1.351 ' CA ' ' HA ' ' A' ' 39' ' ' TYR . 3.7 pt-20 -177.05 162.56 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 1.07 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -143.45 158.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.511 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -118.17 154.54 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.437 ' SD ' ' HB ' ' A' ' 53' ' ' ILE . 4.9 mtm -151.54 133.33 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.572 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 23.3 tttt -101.47 100.14 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 1.308 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 5.5 mmpt? -38.16 117.14 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.694 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 2.0 m -146.3 24.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.386 1.053 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.613 ' CE ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.551 0.215 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.12 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 6.3 t0 -72.95 -8.5 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.027 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER 27.33 -15.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 15.8 ttmm -97.08 16.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.613 ' CG ' ' CE ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 144.39 30.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -114.92 107.46 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.892 ' HD3' ' CG1' ' A' ' 9' ' ' ILE . 1.3 ttt-85 -158.49 178.26 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.817 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 41.6 t -115.76 105.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.661 HG23 ' CG2' ' A' ' 38' ' ' VAL . 1.3 mm -147.97 110.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.545 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -151.82 133.59 14.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.598 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -135.38 119.36 17.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.074 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.74 103.6 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.722 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.98 22.63 60.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.305 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -89.34 10.13 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.113 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 23.2 p90 57.85 -151.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.393 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 1.2 m 32.38 -20.86 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.125 ' C ' ' CD ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.96 -175.29 15.7 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.065 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.113 ' HA2' ' CE2' ' A' ' 15' ' ' TYR . . . -33.03 -26.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.598 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.509 ' CA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.27 -30.19 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 1.017 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.697 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 2.8 mm-40 -46.94 -27.33 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.339 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 2.9 mp -78.95 -57.82 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.932 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.5 -37.19 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -80.42 -13.53 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.634 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -79.12 -50.93 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.303 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 5.8 p90 -43.44 -31.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.691 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -78.27 -28.25 47.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.849 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.02 -46.46 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.129 ' HB2' ' CD ' ' A' ' 76' ' ' LYS . . . -87.14 -155.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.304 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 159.34 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.61 140.76 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 1.285 ' N ' ' O ' ' A' ' 76' ' ' LYS . . . 79.96 6.09 89.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.267 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.7 tt0 -107.91 176.7 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.539 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -138.77 155.57 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.116 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.8 pp -147.08 139.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.637 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.99 129.0 54.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.661 ' CG2' HG23 ' A' ' 9' ' ' ILE . 2.6 p -121.14 168.72 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.545 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.05 163.26 39.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.3 ' HA ' ' O ' ' A' ' 11' ' ' ALA . 37.8 t -162.96 -179.83 7.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.611 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 10.4 m -136.36 -33.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.82 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -47.82 -34.18 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 42' ' ' ASP . . . 83.31 23.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.737 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -107.8 -36.29 2.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.245 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 6.4 t -64.73 -26.6 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 1.423 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -54.28 -36.51 63.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HD3' ' HA2' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.78 -42.61 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.045 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -81.1 -40.54 23.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.404 ' CB ' ' OH ' ' A' ' 70' ' ' TYR . . . -39.47 -46.7 4.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.736 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 18.0 Cg_endo -75.02 9.24 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -114.35 -28.45 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.509 ' CE2' ' CA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -59.9 -59.04 6.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.693 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -52.32 -36.37 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.736 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -48.07 -38.26 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -100.04 -36.57 9.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.303 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -43.41 -60.63 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.826 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.86 3.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.352 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.26 158.97 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.246 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.578 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -57.29 141.45 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.676 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.9 tp -76.38 112.54 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.454 HG21 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -97.32 -179.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.581 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.13 112.88 0.97 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.739 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 21.9 t -163.67 103.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.88 ' CD1' ' HE1' ' A' ' 70' ' ' TYR . 22.6 m-30 -142.27 128.54 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.01 126.77 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.93 72.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -117.67 -25.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 41' ' ' THR . . . -166.24 -46.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.725 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -151.41 119.83 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.423 ' CD1' ' HG3' ' A' ' 46' ' ' LYS . 2.2 t80 -78.93 176.52 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.452 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 12.9 pt-20 -174.72 167.26 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.161 HG23 ' CD2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.4 157.92 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.454 ' C ' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -124.5 150.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.339 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -146.72 134.61 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.578 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.7 tttp -97.6 100.18 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.352 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 14.7 mmtt -39.11 119.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.789 ' N ' ' O ' ' A' ' 57' ' ' GLY . 86.6 t -134.85 8.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.327 ' HB3' ' CG1' ' A' ' 61' ' ' VAL . 1.5 tpt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.474 0.178 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.949 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 1.5 t0 -114.51 -8.96 12.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.984 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.78 -13.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 tppp? -100.17 17.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.466 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.05 142.85 28.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -114.79 107.67 15.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.047 ' HD3' ' CD1' ' A' ' 9' ' ' ILE . 2.0 ttt-85 -158.34 178.03 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.942 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -112.65 106.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.268 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 1.5 mt -147.65 110.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.567 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.2 p-10 -151.84 133.4 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.619 ' HB3' ' CB ' ' A' ' 19' ' ' PRO . . . -133.71 119.36 19.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.869 ' NH2' ' OG1' ' A' ' 41' ' ' THR . 10.3 mmm-85 -105.76 100.21 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.785 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 86.52 22.73 46.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.436 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.97 0.79 55.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.285 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 57.88 -151.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.328 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER 34.33 -20.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.083 ' C ' ' HD1' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.01 -159.84 2.02 Favored 'Cis proline' 0 C--N 1.361 1.214 0 C-N-CA 120.972 -2.511 . . . . 0.0 110.978 0.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.249 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.05 -27.7 31.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.619 ' CB ' ' HB3' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 -10.37 21.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.585 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.79 -31.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 1.072 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -91.98 -21.55 20.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.638 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.15 -35.11 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.432 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 96.7 mt -73.32 -53.2 11.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 1.063 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.64 -37.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.42 -13.36 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.65 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -90.47 -47.07 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.546 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.9 p90 -43.52 -32.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.44 -21.69 64.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -72.88 -46.35 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.23 ' HB1' ' CD ' ' A' ' 76' ' ' LYS . . . -85.55 -155.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.192 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 163.71 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.708 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.65 131.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 91.55 3.39 69.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.197 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.5 tp10 -108.23 176.69 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.466 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.76 159.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.028 HG22 ' HE3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.94 139.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.744 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.63 133.39 50.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.268 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 9.8 p -121.12 170.76 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.567 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.15 163.31 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -168.16 177.62 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.869 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 2.7 m -134.69 -30.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.785 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -49.55 -22.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.687 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.69 23.82 11.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.052 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.06 -39.63 2.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.65 ' CG2' ' HE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.92 -26.81 67.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HE3' ' CB ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -48.77 -35.17 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.77 -41.56 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.073 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -85.71 -32.72 21.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.412 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.63 -45.85 8.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.774 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 5.53 3.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -105.42 -34.26 7.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.585 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -47.04 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.888 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -45.55 -45.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.733 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -33.36 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -100.22 -39.63 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.546 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.53 -61.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.95 3.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.47 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.63 159.42 16.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.306 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.51 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.35 133.02 52.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.437 1.085 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.784 ' C ' ' CB ' ' A' ' 1' ' ' MET . 4.9 tp -76.61 121.4 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.375 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.96 -179.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.607 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.43 109.51 0.71 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.607 ' CG1' ' O ' ' A' ' 62' ' ' GLY . 16.3 m -163.39 106.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 1.186 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 22.8 m-85 -141.93 125.96 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.98 129.18 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.92 72.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -117.32 -18.08 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 12' ' ' ARG . . . -165.86 -44.91 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.813 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -161.41 119.82 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.65 ' HE1' ' CG2' ' A' ' 45' ' ' THR . 6.5 p90 -81.9 146.83 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.296 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 16.4 pt-20 -148.9 169.46 20.49 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.186 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -143.51 158.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.375 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.07 157.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.294 ' SD ' ' HB3' ' A' ' 23' ' ' LEU . 1.9 mtm -151.51 137.96 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 111.062 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.51 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 ttpt -100.62 100.07 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.47 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 4.7 mmtt -42.95 112.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 57' ' ' GLY . 6.3 m -127.95 5.52 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.693 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.239 ' N ' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.465 0.174 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.023 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 4.7 t0 32.88 -0.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.161 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 29.09 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.86 17.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.527 ' HB3' ' CA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 142.7 28.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -114.51 107.36 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.014 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.13 177.88 10.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.014 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 34.1 m -113.52 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.296 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -147.75 110.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.553 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.15 133.59 14.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.621 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.55 119.6 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.016 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.91 100.69 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.55 22.79 52.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.421 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -88.97 3.79 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CG ' ' O ' ' A' ' 14' ' ' SER . 0.5 OUTLIER 57.83 -151.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.454 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 2.1 m 37.0 -20.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.235 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.096 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -75.05 179.87 29.14 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.005 0.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.072 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -29.42 -31.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.621 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.01 -7.94 19.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.595 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.92 -30.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.727 ' HA ' HG13 ' A' ' 24' ' ' ILE . 3.1 mtp -90.74 -19.82 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -54.11 -31.55 52.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.326 HD23 ' O ' ' A' ' 49' ' ' ALA . 1.8 mp -73.99 -48.47 30.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.822 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -63.39 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.99 -13.37 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.716 ' HB2' HD13 ' A' ' 36' ' ' ILE . . . -84.73 -44.55 13.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.482 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.38 -30.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.752 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.96 -22.74 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.78 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -76.98 -46.52 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.07 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -87.46 -155.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.251 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 11.8 mtpt -150.61 157.04 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.679 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.88 129.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.98 2.3 62.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.158 ' O ' ' N ' ' A' ' 76' ' ' LYS . 8.8 tp10 -108.76 176.57 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.527 ' CA ' ' HB3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.6 152.42 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.111 ' N ' ' HZ2' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -145.54 139.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.81 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.55 132.93 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.296 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -121.15 168.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.553 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.42 38.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.468 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 42.3 t -166.95 179.99 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.49 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 14.8 m -135.28 -30.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.752 ' CB ' ' H ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -49.3 -26.46 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.601 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 71.25 23.78 3.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.096 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -104.46 -39.94 2.31 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.499 1.124 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.458 ' CB ' ' HZ2' ' A' ' 52' ' ' TRP . 2.6 t -64.86 -32.09 73.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 0.717 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.02 -34.73 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.458 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.65 -34.39 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.404 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.49 -46.28 5.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.03 4.03 5.11 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.823 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.84 -27.05 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.595 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.8 -66.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 108.038 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.866 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -50.9 -30.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.558 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -44.55 -38.71 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -36.75 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.482 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.1 m -45.13 -61.5 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.04 20.88 3.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.294 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.92 159.67 16.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.478 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 2.5 tt0 -56.85 128.68 37.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' C ' ' CB ' ' A' ' 1' ' ' MET . 1.4 tp -76.61 109.41 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.245 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -92.32 -179.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.664 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -136.28 106.77 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.672 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 33.0 m -163.34 104.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.911 ' CE1' HG13 ' A' ' 72' ' ' ILE . 6.3 m-85 -142.12 129.74 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.22 132.25 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 1.03 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.9 72.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.04 -20.61 9.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.95 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.854 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.5 OUTLIER -162.46 119.65 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.468 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 9.1 p90 -81.64 146.94 29.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.341 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.6 pt-20 -148.79 165.68 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.955 ' H ' HG13 ' A' ' 38' ' ' VAL . 2.8 mp -143.63 152.31 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.245 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.68 162.34 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.033 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -153.56 134.91 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.478 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 7.3 tttm -100.39 100.08 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.294 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -43.16 114.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 57' ' ' GLY . 2.9 m -138.18 22.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.679 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.553 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.492 0.187 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.908 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 4.9 t0 -76.26 -2.42 31.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.103 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER 30.21 -15.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.001 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 1.6 ttmm -100.09 16.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.487 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 143.2 28.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.522 1.801 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.53 107.3 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.931 ' HD3' ' HB ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -158.54 178.19 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.747 ' O ' ' NE ' ' A' ' 7' ' ' ARG . 77.6 t -115.25 105.86 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.429 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 tt -148.04 109.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.446 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -152.01 133.53 14.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.484 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.86 119.31 17.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.015 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.76 101.5 11.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.697 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 90.09 22.77 34.36 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.451 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.75 1.39 53.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.163 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.9 OUTLIER 57.75 -151.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.142 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER 29.23 -17.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.816 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.4 Cg_endo -74.97 -148.85 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.014 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.24 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -63.85 -26.35 69.98 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.484 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -75.02 -10.65 21.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.424 1.749 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.644 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.1 -28.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 1.126 ' N ' HD21 ' A' ' 20' ' ' LEU . 7.9 mtp -95.28 -22.52 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.712 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.92 -34.57 42.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.169 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 10.4 mt -73.42 -51.9 15.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.844 ' H ' ' HB3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.6 -42.58 81.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.62 -13.43 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.673 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -82.79 -40.78 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.302 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 1.7 p90 -43.54 -30.75 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.747 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -77.82 -23.19 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.695 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.5 tt0 -77.07 -46.47 23.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.1 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -85.89 -155.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.366 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.9 mtpt -150.45 158.42 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.7 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -50.74 141.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.623 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 79.18 4.89 89.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.264 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.3 tt0 -108.17 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.487 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -139.32 159.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.408 1.068 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.112 HG22 ' CE ' ' A' ' 76' ' ' LYS . 1.9 pp -150.92 139.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.132 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.25 131.43 52.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.334 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 8.0 p -121.07 169.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.446 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.23 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.426 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.7 t -166.25 179.9 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 43' ' ' ALA . 4.9 m -134.5 -32.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -47.33 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.01 23.58 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.123 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -107.38 -41.78 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.613 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -63.81 -26.69 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.341 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -49.24 -36.19 19.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.6 -39.71 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.037 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -85.8 -37.52 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.54 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.42 -45.47 5.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 4.44 4.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.58 -34.75 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.644 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.22 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 1.195 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -41.21 -46.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.572 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 6.5 tt0 -33.2 -38.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -100.47 -39.89 7.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.302 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -41.01 -62.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.707 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.14 20.94 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.566 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -110.58 158.02 19.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 110.33 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.642 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.33 135.11 53.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 1.346 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 7.7 tp -76.54 122.92 25.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.553 HG22 ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -104.7 -179.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.578 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.64 102.33 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.694 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 4.4 m -159.39 101.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.909 ' CE1' HG13 ' A' ' 72' ' ' ILE . 5.7 m-85 -142.32 127.49 18.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.01 136.24 10.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HD3' ' H ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.92 72.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -112.29 -24.37 9.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.97 -40.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.835 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -160.58 119.82 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.613 ' CE1' HG23 ' A' ' 45' ' ' THR . 11.0 p90 -80.99 147.52 30.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.308 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.5 pt-20 -148.97 165.91 30.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.169 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.1 mp -143.49 157.87 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.198 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -121.09 164.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.242 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -155.53 130.75 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.642 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.5 tttm -92.26 100.1 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.566 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 8.3 mmtt -43.49 114.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.707 ' N ' ' O ' ' A' ' 57' ' ' GLY . 95.3 t -130.37 8.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.558 ' HG3' ' CB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.488 0.185 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.94 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 1.5 t70 -115.71 3.93 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.006 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.0 OUTLIER 26.51 -19.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.99 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -98.57 16.78 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.99 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 142.87 28.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.867 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -109.06 107.23 17.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.25 ' HE ' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -158.4 177.98 10.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 9' ' ' ILE . 4.5 m -120.8 105.1 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.376 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.615 ' CB ' HG23 ' A' ' 38' ' ' VAL . 2.1 mp -148.64 110.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 31.8 p-10 -151.91 133.73 14.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.456 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -129.4 119.55 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.131 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.32 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.669 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 91.27 22.7 31.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.443 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -91.16 -0.8 57.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.086 ' HD1' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 57.65 -151.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.936 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.443 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 33.72 -18.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.915 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.4 Cg_endo -75.0 -157.51 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.028 -0.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.349 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.56 -29.05 38.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.585 1.178 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.456 ' CB ' ' HB2' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.05 -11.81 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.691 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -39.67 -29.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.775 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.6 mtt -92.63 -18.58 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.767 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.04 -30.38 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.421 ' CB ' ' CB ' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -73.37 -44.43 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.949 HG23 ' HA ' ' A' ' 52' ' ' TRP . 2.2 pp -67.72 -37.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.78 -13.37 60.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.776 ' CB ' HD11 ' A' ' 36' ' ' ILE . . . -79.12 -46.52 17.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.292 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 9.7 p90 -43.82 -41.36 4.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.827 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 1.25 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.95 -46.31 24.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.091 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -90.33 -155.54 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.613 ' H ' ' HG3' ' A' ' 76' ' ' LYS . 9.2 mtpt -150.33 158.67 44.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.668 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.71 138.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.4 1.063 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.549 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 77.29 13.85 83.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.884 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.84 176.68 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.714 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.867 HG21 ' N ' ' A' ' 6' ' ' ASP . 5.2 m -131.36 141.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.924 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -150.61 132.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.09 ' O ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -108.69 133.78 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.615 HG23 ' CB ' ' A' ' 9' ' ' ILE . 41.5 t -121.16 164.43 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.34 39.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.538 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.5 t -164.76 179.12 6.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 15.0 m -134.61 -32.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.669 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -46.8 -21.33 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.761 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.79 23.8 11.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.096 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.5 -41.22 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.615 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.03 -26.87 68.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 0.811 . . . . 0.0 110.35 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' NZ ' ' HB3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -46.85 -34.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.665 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.62 -40.24 12.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.205 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.7 -35.45 20.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.376 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -39.61 -47.32 4.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.889 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.7 Cg_endo -74.9 3.39 5.6 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.451 1.764 . . . . 0.0 111.057 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.54 -28.51 10.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.691 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -53.29 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.888 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -51.48 -40.38 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.645 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -41.3 -38.7 1.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.41 -39.71 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.292 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.51 -64.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.947 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.28 20.85 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.218 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.12 162.2 15.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.618 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -56.26 129.02 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.99 ' C ' ' CB ' ' A' ' 1' ' ' MET . 4.9 tp -76.63 119.51 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.558 ' CB ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -103.33 179.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.14 110.01 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.425 1.078 . . . . 0.0 111.061 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.591 ' CG1' ' O ' ' A' ' 62' ' ' GLY . 10.8 m -163.71 106.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 1.128 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 23.8 m-85 -142.02 125.33 16.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.26 135.73 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.228 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.76 72.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -113.92 -21.47 10.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' O ' HG21 ' A' ' 41' ' ' THR . . . -166.03 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.913 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.4 p90 -162.33 119.82 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.615 ' CE1' HG23 ' A' ' 45' ' ' THR . 13.8 p90 -77.97 146.64 35.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.421 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 2.8 pt-20 -149.19 168.02 24.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.128 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -143.66 156.85 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.456 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -115.72 156.09 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.352 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -149.38 127.92 12.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.618 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 9.1 tttp -97.63 99.92 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.218 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 3.5 mmpt? -40.27 113.83 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.716 ' H ' ' HA ' ' A' ' 58' ' ' GLN . 10.3 t -142.8 19.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.416 1.072 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.947 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.451 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.2 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.493 0.187 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.101 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 2.5 t70 28.65 1.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.393 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.269 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 25.23 -16.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 6.5 tptp -98.54 17.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.544 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 143.02 28.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -115.18 107.58 15.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.254 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.4 178.29 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.254 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -114.67 105.77 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.264 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 1.2 tt -148.01 110.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.518 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.07 133.62 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.588 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.13 119.46 19.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.041 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.66 101.15 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.766 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.94 22.59 57.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.253 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -91.09 5.4 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.072 ' HD1' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 57.74 -151.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.072 ' N ' ' HD1' ' A' ' 15' ' ' TYR . 4.4 m 40.8 -18.51 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 108.321 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.354 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 18.5 Cg_endo -74.97 160.61 96.3 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.076 -0.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.954 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -5.33 -36.09 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.588 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 -7.23 18.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.63 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -42.96 -30.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.97 ' O ' HG13 ' A' ' 24' ' ' ILE . 3.3 mtt -89.08 -25.38 21.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.766 ' O ' HD13 ' A' ' 9' ' ' ILE . 3.5 mm-40 -47.06 -32.58 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.419 ' CB ' ' CB ' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -73.6 -45.74 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.97 HG13 ' O ' ' A' ' 21' ' ' MET . 1.2 pp -63.7 -37.18 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -81.46 -13.31 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 22' ' ' GLU . . . -76.87 -46.53 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.286 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 7.2 p90 -43.54 -35.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.718 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -76.02 -26.38 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.783 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -77.19 -46.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.946 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.87 -155.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.26 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.827 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.7 146.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.596 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 75.11 6.32 79.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.222 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.4 tt0 -110.96 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.544 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.69 153.77 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.219 ' N ' ' HZ1' ' A' ' 76' ' ' LYS . 1.3 pt -147.25 139.14 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.19 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.03 132.72 50.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.264 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 11.1 p -120.97 167.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.518 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.25 163.23 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.34 ' O ' ' N ' ' A' ' 70' ' ' TYR . 44.7 t -168.05 -179.95 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.604 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 4.0 m -134.05 -31.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.766 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -47.1 -34.12 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.513 ' N ' ' CD2' ' A' ' 70' ' ' TYR . . . 79.77 23.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.054 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -105.73 -38.03 2.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.125 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.4 t -64.91 -34.86 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 110.406 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.618 ' NZ ' ' HG3' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -46.01 -33.18 3.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.7 ' CG ' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.36 -49.23 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.354 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.438 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.61 -34.18 21.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.428 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.41 -46.69 8.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 3.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -109.15 -27.23 9.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.63 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -50.35 -55.45 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.942 HD12 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.69 -39.24 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.687 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 7.5 tt0 -40.56 -38.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -39.57 7.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.286 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -42.41 -59.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.766 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.92 20.85 3.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.378 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.14 170.09 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.499 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -68.07 141.36 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.759 ' O ' ' CB ' ' A' ' 1' ' ' MET . 1.6 tp -76.4 109.42 10.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.451 ' CG2' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -95.54 152.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.582 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -110.97 106.25 2.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.813 ' O ' ' O ' ' A' ' 71' ' ' GLU . 54.3 t -161.18 99.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.892 ' CE1' HG13 ' A' ' 72' ' ' ILE . 3.6 m-85 -142.08 129.18 20.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -158.08 129.19 6.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HG3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.96 72.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -119.49 -20.12 7.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.96 -40.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.886 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -161.39 119.83 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.34 ' N ' ' O ' ' A' ' 40' ' ' SER . 16.1 p90 -81.58 148.27 29.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.293 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 5.2 pt-20 -148.83 164.53 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.187 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.8 mp -143.49 146.87 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.417 ' C ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -108.87 157.88 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.258 ' N ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -148.2 135.02 20.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.499 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 26.5 tttp -99.71 100.22 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -43.64 115.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.728 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 15.9 m -132.84 13.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.827 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.166 ' CE ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.528 0.204 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.024 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 2.8 t0 -108.48 23.48 14.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.409 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.7 OUTLIER 29.49 -20.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.999 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 10.3 ttmt -99.73 16.62 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.999 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.4 Cg_endo -74.97 142.87 28.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -112.86 107.36 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.132 ' NH1' ' HB3' ' A' ' 29' ' ' GLN . 7.4 ttt85 -158.54 178.37 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.67 ' H ' ' CG ' ' A' ' 7' ' ' ARG . 99.4 t -112.88 105.41 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.432 ' CG2' HG21 ' A' ' 38' ' ' VAL . 9.0 mt -148.25 110.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.547 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.7 p-10 -151.41 133.54 15.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.536 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.34 119.48 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.175 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.4 11.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.805 ' HA2' ' OD1' ' A' ' 42' ' ' ASP . . . 83.39 22.72 56.09 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.585 1.178 . . . . 0.0 111.051 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.462 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -85.16 4.94 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.098 ' CD2' ' O ' ' A' ' 14' ' ' SER . 29.8 p90 57.82 -151.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.364 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER 28.61 -17.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.874 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.0 -151.49 0.66 Allowed 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.982 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.279 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -58.29 -26.45 59.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.536 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 -10.16 21.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.613 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.57 -30.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.985 ' N ' HD23 ' A' ' 20' ' ' LEU . 2.7 mtt -91.28 -23.55 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -51.66 -29.74 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.335 ' CB ' ' CB ' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -76.86 -46.75 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.781 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . 1.1 pt -66.45 -40.92 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.51 -13.32 60.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.748 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -82.69 -45.59 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.257 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.4 p90 -43.49 -26.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.671 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.2 -26.31 39.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 1.132 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.9 tt0 -77.06 -46.42 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.036 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -86.7 -155.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.324 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 154.36 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.82 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.85 124.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.433 ' N ' ' HA ' ' A' ' 77' ' ' VAL . . . 94.99 10.91 57.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.062 ' O ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.46 176.73 5.02 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.024 ' CG1' ' CB ' ' A' ' 2' ' ' ASP . 12.3 m -130.03 147.11 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.045 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 4.9 pt -150.91 134.47 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.51 ' HA ' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -108.8 134.28 51.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.432 HG21 ' CG2' ' A' ' 9' ' ' ILE . 2.7 p -121.24 168.53 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.547 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.3 39.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 33.8 t -168.73 179.51 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.775 ' OG1' ' CD1' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -134.1 -34.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.874 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -43.67 -22.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.82 23.72 11.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.131 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.32 -39.21 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.662 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -67.16 -26.62 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.771 . . . . 0.0 110.443 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.587 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -47.85 -35.71 10.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.64 -40.0 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.104 ' OD2' ' SG ' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -85.6 -40.33 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.566 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.03 -47.69 5.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HD3' ' HB2' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.94 4.07 5.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -107.57 -28.32 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.613 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -52.95 -54.27 37.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.87 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -53.83 -37.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -46.05 -38.6 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HD3' ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -100.17 -36.24 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.257 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -46.47 -61.72 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.14 20.81 3.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.293 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.08 161.74 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.248 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.616 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.43 141.33 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.92 ' C ' ' N ' ' A' ' 1' ' ' MET . 7.4 tp -84.96 117.84 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.425 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -109.08 -179.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -134.85 109.73 0.79 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.721 ' O ' ' O ' ' A' ' 71' ' ' GLU . 53.7 t -161.76 98.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.965 ' CE1' HG13 ' A' ' 72' ' ' ILE . 2.0 m-85 -142.17 127.93 19.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.0 137.49 11.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 72.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -116.22 -21.62 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.671 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -165.97 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 1.104 ' CE1' ' HG3' ' A' ' 12' ' ' ARG . 3.6 m-85 -162.54 119.67 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 0.739 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.662 ' CE1' HG23 ' A' ' 45' ' ' THR . 9.4 p90 -80.8 146.68 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.39 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 12.0 pt-20 -149.1 171.37 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.965 HG13 ' CE1' ' A' ' 64' ' ' PHE . 2.0 mp -143.51 153.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.425 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -115.01 146.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.129 ' CA ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.27 128.04 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.616 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 tttp -94.58 100.06 12.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.324 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -40.62 115.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.699 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 65.3 t -140.38 15.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.934 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.46 ' CG ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.496 0.188 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.194 ' CB ' ' CG1' ' A' ' 35' ' ' VAL . 5.9 t0 -89.23 12.06 17.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.941 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 28.11 -16.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.0 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -99.6 16.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.221 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.93 143.34 29.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -112.9 107.24 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.039 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.24 178.05 10.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.039 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 74.1 t -114.23 105.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.308 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -148.01 110.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.613 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -152.18 133.62 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.642 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.11 119.52 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.092 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.86 102.03 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.784 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.88 22.85 60.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.24 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -89.7 3.34 53.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.048 ' HD1' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 57.59 -151.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.507 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m 42.12 -19.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.278 ' C ' ' CD ' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.05 160.89 95.85 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.944 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.921 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -8.58 -36.01 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.642 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.03 -5.68 17.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.56 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -46.52 -28.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 1.051 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.4 mtt -96.72 -15.77 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.715 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -47.58 -38.99 15.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.206 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 62.6 mt -73.37 -52.38 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 1.121 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.3 pp -51.16 -37.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.729 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -93.06 -13.39 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . . . -88.51 -43.31 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.528 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.56 -35.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.86 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -66.26 -21.78 66.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -71.81 -46.44 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.372 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.33 -155.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.366 1.041 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.239 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.62 165.46 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 1.444 HG22 ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -52.12 135.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.227 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.573 ' H ' ' HA ' ' A' ' 77' ' ' VAL . . . 82.79 7.07 87.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.599 1.187 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.0 tt0 -103.04 176.56 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.194 ' CG1' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -140.71 149.44 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.009 HG22 ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -150.49 138.44 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.297 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.76 134.56 47.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.308 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 13.6 p -120.97 167.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.613 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.32 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.386 ' OG ' ' CE2' ' A' ' 70' ' ' TYR . 42.9 t -165.95 179.93 5.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -135.73 -27.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.784 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -54.54 -30.1 52.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 75.01 23.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.061 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -102.44 -40.14 2.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.185 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.6 t -64.67 -35.01 79.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.568 ' N ' HG21 ' A' ' 45' ' ' THR . 0.0 OUTLIER -44.64 -33.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.702 ' CG ' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.69 -48.65 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.471 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.68 -27.49 25.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.337 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -43.46 -44.66 14.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.761 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.94 1.28 7.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.714 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -101.73 -36.09 8.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.56 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -46.91 -68.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.849 ' HB ' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -44.68 -41.02 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.714 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.8 tt0 -43.81 -38.68 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.766 ' HG3' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.34 -21.5 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.528 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.8 m -61.82 -61.47 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.914 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.74 3.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.049 ' NE2' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -111.95 160.75 17.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 0.753 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.596 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.42 132.39 51.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.891 ' C ' ' N ' ' A' ' 1' ' ' MET . 2.2 tp -76.51 109.9 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.46 HG13 ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -96.82 -179.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.613 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -134.21 111.18 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.613 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 50.1 t -162.61 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 1.136 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.9 m-85 -142.25 122.17 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.04 132.16 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.83 72.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -115.65 -18.32 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.699 ' C ' ' CD1' ' A' ' 69' ' ' TYR . . . -165.99 -46.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.983 ' CA ' ' O ' ' A' ' 40' ' ' SER . 57.0 m-85 -159.65 119.73 3.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.387 ' OH ' ' CD ' ' A' ' 19' ' ' PRO . 2.9 p90 -80.77 146.74 30.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.351 ' HB3' ' CA ' ' A' ' 39' ' ' TYR . 16.7 pt-20 -149.48 174.39 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.169 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -143.51 157.56 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.219 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.037 ' C ' ' HE1' ' A' ' 1' ' ' MET . 0.0 OUTLIER -123.79 142.35 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.414 ' N ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.86 125.99 15.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.596 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.5 ttpp -84.1 100.17 10.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.372 ' HG3' ' CB ' ' A' ' 30' ' ' ALA . 5.9 mmtt -43.79 110.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 1.444 ' C ' HG22 ' A' ' 32' ' ' VAL . 35.7 m -146.77 30.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 1.401 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.93 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.491 0.186 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.049 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 2.3 m-20 -86.98 -36.36 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.184 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.87 -25.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.998 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -100.18 16.89 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.049 ' HD3' ' C ' ' A' ' 2' ' ' ASP . 18.5 Cg_endo -75.0 142.83 28.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -113.29 107.55 16.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.162 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -158.37 178.18 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.687 ' H ' ' CG ' ' A' ' 7' ' ' ARG . 3.6 m -114.15 105.5 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.381 1.051 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.454 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 19.4 mm -148.24 110.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.615 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 5.4 p-10 -151.89 133.42 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.519 ' HB3' ' CB ' ' A' ' 19' ' ' PRO . . . -132.73 119.43 20.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.717 ' NH2' ' HB3' ' A' ' 69' ' ' TYR . 10.6 mmm-85 -105.76 104.02 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.827 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.94 22.87 51.59 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.438 1.087 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.43 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.64 2.14 51.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 0.823 . . . . 0.0 110.04 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.316 ' CD1' ' O ' ' A' ' 14' ' ' SER . 33.6 p90 57.72 -151.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.404 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 30.8 -16.86 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.303 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.922 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -149.6 0.52 Allowed 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.358 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -59.17 -29.5 65.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.519 ' CB ' ' HB3' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.07 -10.96 21.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.589 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.01 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.823 ' O ' HG13 ' A' ' 24' ' ' ILE . 4.0 mtt -98.68 -14.95 19.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.702 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -52.89 -36.92 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.442 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 15.9 mt -73.21 -53.75 10.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.965 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.6 pp -50.72 -37.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.17 -13.35 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -81.72 -46.21 14.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.171 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.9 p90 -43.48 -31.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.746 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.15 -26.29 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.658 ' HG3' ' NH2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -77.1 -46.38 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.113 ' HB2' ' CD ' ' A' ' 76' ' ' LYS . . . -85.46 -155.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.283 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.96 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.769 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.74 117.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.49 14.85 39.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.175 ' HB3' ' CG ' ' A' ' 76' ' ' LYS . 3.9 tp10 -102.91 176.67 5.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.047 HG13 ' OD1' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -129.93 140.15 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.236 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -151.23 133.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.701 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -108.81 135.83 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.454 ' CG2' ' CG2' ' A' ' 9' ' ' ILE . 4.3 p -121.17 165.32 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.615 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.17 163.24 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 111.082 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.544 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -167.26 179.92 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.969 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.582 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 1.8 m -135.38 -32.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.827 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -44.45 -22.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.718 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.54 23.68 10.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 1.085 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.2 -40.11 1.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.606 HG23 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -65.55 -26.8 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.421 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' CG ' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.98 -34.59 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.658 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.76 -41.34 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.143 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.75 -34.07 21.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.515 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -42.91 -47.12 13.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -74.99 6.93 3.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.566 1.824 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.45 -35.61 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.589 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.06 -68.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.728 HG13 ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -42.97 -47.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.536 ' N ' HD11 ' A' ' 53' ' ' ILE . 1.6 tt0 -35.33 -38.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -100.23 -39.79 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.171 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.4 m -39.4 -60.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.984 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.924 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.91 3.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.272 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.08 160.9 17.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.7 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.583 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.41 140.28 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.93 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.8 tp -76.43 120.89 22.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.184 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -108.72 178.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.692 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.58 110.0 0.73 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.83 ' O ' ' HD1' ' A' ' 64' ' ' PHE . 53.9 t -163.28 93.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.923 ' CE1' ' CD1' ' A' ' 72' ' ' ILE . 1.2 m-85 -139.39 125.92 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -157.99 136.31 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.83 72.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -119.32 -18.86 8.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.83 -44.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.839 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.0 OUTLIER -162.53 119.72 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 110.993 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.606 ' CE1' HG23 ' A' ' 45' ' ' THR . 9.5 p90 -80.64 148.25 30.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.36 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -148.97 175.83 10.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.037 HG13 ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.46 158.02 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.677 ' CG2' ' HB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -128.56 140.42 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.191 ' CE ' ' HB3' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.94 140.64 34.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.583 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 8.2 tttt -100.81 100.12 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.283 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 14.4 mmtt -39.12 116.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.73 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 14.1 t -140.16 13.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.924 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.17 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.465 0.174 . . . . 0.0 111.05 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.099 ' CG ' HG13 ' A' ' 35' ' ' VAL . 7.2 t0 -120.28 -8.54 9.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.948 ' H ' HG13 ' A' ' 61' ' ' VAL . 1.2 t 27.37 -16.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 1.004 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 tttp -99.82 16.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.604 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.93 142.87 28.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.818 ' H ' HG21 ' A' ' 35' ' ' VAL . 4.2 p30 -114.97 107.48 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.17 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -158.38 178.06 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' O ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -115.52 105.69 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.24 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 mm -148.14 109.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 1.635 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 2.6 p-10 -152.2 133.59 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.631 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -130.98 119.29 21.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.027 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.82 105.14 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.721 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.44 22.87 57.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.433 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -92.88 4.89 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.052 ' CD2' ' O ' ' A' ' 14' ' ' SER . 19.2 p90 57.8 -151.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.437 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.1 m 32.61 -20.31 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 1.055 ' CD ' ' CE2' ' A' ' 70' ' ' TYR . 18.2 Cg_endo -75.0 -171.31 9.21 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.049 -0.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 1.065 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -40.06 -27.24 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.631 ' CB ' ' HB2' ' A' ' 11' ' ' ALA . 18.5 Cg_endo -74.9 -8.01 19.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.573 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.92 -25.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 1.011 ' N ' HD23 ' A' ' 20' ' ' LEU . 4.1 mtp -95.13 -22.37 17.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.665 ' N ' ' O ' ' A' ' 19' ' ' PRO . 3.1 mm-40 -46.55 -37.46 8.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 1.171 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 84.6 mt -73.86 -46.47 44.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.872 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.8 pt -56.36 -37.07 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -83.34 -13.45 55.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . . . -80.05 -48.83 12.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.323 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 4.7 p90 -43.56 -32.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.737 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -73.25 -25.73 60.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.814 ' CB ' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.43 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.205 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.44 -155.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 1.271 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 10.8 mtpt -150.46 160.89 43.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.622 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.76 118.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.207 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.26 36.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.907 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.78 176.73 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.604 ' HB ' ' CB ' ' A' ' 5' ' ' PRO . 4.9 m -132.81 140.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.17 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.97 136.0 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.81 134.35 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.253 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 5.3 p -121.14 164.15 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.635 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.23 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 1.633 ' HB3' ' CD2' ' A' ' 70' ' ' TYR . 38.0 t -158.08 178.51 10.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.0 m -134.31 -34.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.459 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.721 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -42.11 -49.26 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.634 ' CB ' ' O ' ' A' ' 42' ' ' ASP . . . 94.17 23.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.779 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -118.61 -22.87 3.56 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 1.09 HG21 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -80.87 -26.53 36.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 0.805 . . . . 0.0 110.451 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 1.137 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -46.61 -31.38 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HD3' ' C ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -89.32 -43.92 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 1.001 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.53 -26.44 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.085 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.64 -48.81 7.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.633 ' HG3' ' HZ ' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.05 2.66 6.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.69 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -97.85 -33.49 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 1.573 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.16 -63.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 1.437 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -49.47 -35.19 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -52.59 -38.54 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -100.08 -23.24 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.323 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -59.28 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.88 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.95 20.82 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 1.308 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.69 161.9 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.572 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -56.26 135.44 53.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 1.17 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.1 tp -76.38 109.66 10.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.078 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.511 HG22 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -95.48 179.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.685 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.58 114.16 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.743 ' CG2' ' HA ' ' A' ' 72' ' ' ILE . 33.7 m -163.81 105.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 1.07 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.2 m-30 -138.85 130.64 27.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 3.1 t0 -157.92 125.52 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.95 72.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.214 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -118.47 -24.08 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.82 -45.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.613 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -154.65 122.49 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.633 ' CD2' ' HB3' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.07 176.44 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 1.351 ' CA ' ' HA ' ' A' ' 39' ' ' TYR . 3.7 pt-20 -177.05 162.56 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 1.07 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -143.45 158.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.511 ' C ' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -118.17 154.54 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.437 ' SD ' ' HB ' ' A' ' 53' ' ' ILE . 4.9 mtm -151.54 133.33 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.572 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 23.3 tttt -101.47 100.14 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 1.308 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 5.5 mmpt? -38.16 117.14 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.694 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 2.0 m -146.3 24.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.386 1.053 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.279 ' CB ' HG11 ' A' ' 35' ' ' VAL . 6.3 t0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.975 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.4 OUTLIER 27.33 -15.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 15.8 ttmm -97.08 16.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.54 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.96 144.39 30.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -114.92 107.46 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.031 ' HG2' ' N ' ' A' ' 8' ' ' VAL . 1.3 ttt-85 -158.49 178.26 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.031 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 41.6 t -115.76 105.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.47 ' CG2' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -147.97 110.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.545 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -151.82 133.59 14.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.597 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -135.38 119.36 17.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.074 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.74 103.6 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.723 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.98 22.63 60.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.306 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -89.34 10.13 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.113 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 23.2 p90 57.85 -151.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.394 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 1.2 m 32.38 -20.86 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.392 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.96 -175.29 15.7 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.065 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.113 ' HA2' ' CE2' ' A' ' 15' ' ' TYR . . . -33.03 -26.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.597 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.509 ' CA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.27 -30.19 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.68 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.697 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 2.8 mm-40 -46.94 -27.33 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.513 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 2.9 mp -78.95 -57.82 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.937 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.5 -37.19 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -80.42 -13.53 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -79.12 -50.93 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.314 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 5.8 p90 -43.44 -31.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.691 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -78.27 -28.25 47.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.938 ' CB ' HH21 ' A' ' 7' ' ' ARG . 1.5 tm0? -77.02 -46.46 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.066 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -87.14 -155.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.304 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 159.34 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.61 140.76 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 1.285 ' N ' ' O ' ' A' ' 76' ' ' LYS . . . 79.96 6.09 89.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.267 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.7 tt0 -107.91 176.7 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.54 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -138.77 155.57 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.117 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.8 pp -147.08 139.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.663 ' HA ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.99 129.0 54.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.47 HG23 ' CG2' ' A' ' 9' ' ' ILE . 2.6 p -121.14 168.72 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.545 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.05 163.26 39.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.33 ' HA ' ' O ' ' A' ' 11' ' ' ALA . 37.8 t -162.96 -179.83 7.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 10.4 m -136.36 -33.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.82 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -47.82 -34.18 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 83.31 23.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -107.8 -36.29 2.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.146 ' CA ' ' O ' ' A' ' 16' ' ' CYS . 6.4 t -64.73 -26.6 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 1.422 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -54.28 -36.51 63.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.78 -42.61 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.153 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -81.1 -40.54 23.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.404 ' CB ' ' OH ' ' A' ' 70' ' ' TYR . . . -39.47 -46.7 4.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.715 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.0 Cg_endo -75.02 9.24 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -114.35 -28.45 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.513 ' HB2' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.9 -59.04 6.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.831 HG22 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.32 -36.37 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.574 ' OE1' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -48.07 -38.26 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.04 -36.57 9.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.314 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -43.41 -60.63 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.826 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.86 3.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.331 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -113.26 158.97 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.246 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.578 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -57.29 141.45 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 61' ' ' VAL . 1.9 tp -76.38 112.54 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.263 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -97.32 -179.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -137.13 112.88 0.97 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 62' ' ' GLY . 21.9 t -163.67 103.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HE1' ' A' ' 70' ' ' TYR . 22.6 m-30 -142.27 128.54 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.01 126.77 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.93 72.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -117.67 -25.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' THR . . . -166.24 -46.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.725 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -151.41 119.83 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.422 ' CD1' ' HG3' ' A' ' 46' ' ' LYS . 2.2 t80 -78.93 176.52 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.452 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 12.9 pt-20 -174.72 167.26 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.216 ' CG2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.4 157.92 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.263 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -124.5 150.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.339 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -146.72 134.61 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.578 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.7 tttp -97.6 100.18 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.304 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 14.7 mmtt -39.11 119.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 75' ' ' LYS . 86.6 t -134.85 8.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.136 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.5 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.0 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.78 -13.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 tppp? -100.17 17.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.466 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.05 142.85 28.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -114.79 107.67 15.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.089 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 2.0 ttt-85 -158.34 178.03 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.942 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -112.65 106.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.446 HG22 ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt -147.65 110.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.567 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.2 p-10 -151.84 133.4 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.581 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.71 119.36 19.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.869 ' NH2' ' OG1' ' A' ' 41' ' ' THR . 10.3 mmm-85 -105.76 100.21 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.784 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 86.52 22.73 46.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.437 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.97 0.79 55.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.285 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 57.88 -151.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.387 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER 34.33 -20.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.077 ' C ' ' HD1' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.01 -159.84 2.02 Favored 'Cis proline' 0 C--N 1.361 1.214 0 C-N-CA 120.972 -2.511 . . . . 0.0 110.978 0.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.248 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.05 -27.7 31.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.581 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 -10.37 21.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.606 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.79 -31.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.907 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -91.98 -21.55 20.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.15 -35.11 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.434 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 96.7 mt -73.32 -53.2 11.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.11 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.64 -37.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.42 -13.36 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -90.47 -47.07 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.546 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.9 p90 -43.52 -32.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.44 -21.69 64.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.814 ' CB ' HH21 ' A' ' 7' ' ' ARG . 2.6 tm0? -72.88 -46.35 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.208 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -85.55 -155.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.196 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 163.71 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.718 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.65 131.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.55 3.39 69.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.197 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.5 tp10 -108.23 176.69 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.466 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.76 159.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.089 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.94 139.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.743 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.63 133.39 50.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.446 ' CG2' HG22 ' A' ' 9' ' ' ILE . 9.8 p -121.12 170.76 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.567 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.15 163.31 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -168.16 177.62 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.869 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 2.7 m -134.69 -30.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.784 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -49.55 -22.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.687 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.69 23.82 11.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.052 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.06 -39.63 2.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.643 ' CG2' ' HE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.92 -26.81 67.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.77 -35.17 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.77 -41.56 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.073 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -85.71 -32.72 21.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.393 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.63 -45.85 8.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.774 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 5.53 3.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -105.42 -34.26 7.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.606 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -47.04 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.887 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -45.55 -45.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.732 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 2.0 tt0 -33.36 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.933 ' HE3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.22 -39.63 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.546 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.53 -61.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.95 3.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.295 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -107.63 159.42 16.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.306 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.577 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.35 133.02 52.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.437 1.085 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 61' ' ' VAL . 4.9 tp -76.61 121.4 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.375 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.96 -179.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.43 109.51 0.71 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 62' ' ' GLY . 16.3 m -163.39 106.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 1.316 ' CE1' HD11 ' A' ' 72' ' ' ILE . 22.8 m-85 -141.93 125.96 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.98 129.18 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.92 72.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -117.32 -18.08 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 12' ' ' ARG . . . -165.86 -44.91 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.813 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -161.41 119.82 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.643 ' HE1' ' CG2' ' A' ' 45' ' ' THR . 6.5 p90 -81.9 146.83 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.277 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 16.4 pt-20 -148.9 169.46 20.49 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.316 HD11 ' CE1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -143.51 158.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.375 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.07 157.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.294 ' SD ' ' HB3' ' A' ' 23' ' ' LEU . 1.9 mtm -151.51 137.96 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 111.062 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.577 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 6.6 ttpt -100.62 100.07 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.295 ' CD ' ' OE1' ' A' ' 58' ' ' GLN . 4.7 mmtt -42.95 112.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 57' ' ' GLY . 6.3 m -127.95 5.52 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.693 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.214 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.7 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.924 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.5 OUTLIER 29.09 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.004 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.86 17.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.527 ' HB3' ' CA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 142.7 28.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -114.51 107.36 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.014 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.13 177.88 10.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.014 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 34.1 m -113.52 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.485 HG22 ' CG2' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -147.75 110.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.553 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.15 133.59 14.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.621 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.55 119.6 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.015 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.91 100.69 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.55 22.79 52.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.421 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -88.97 3.79 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CG ' ' O ' ' A' ' 14' ' ' SER . 0.5 OUTLIER 57.83 -151.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.454 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 2.1 m 37.0 -20.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.235 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.301 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -75.05 179.87 29.14 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.005 0.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.072 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -29.42 -31.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.621 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.01 -7.94 19.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.619 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.92 -30.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.931 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.1 mtp -90.74 -19.82 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.11 -31.55 52.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.561 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.8 mp -73.99 -48.47 30.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.788 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -63.39 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.99 -13.37 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.951 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -84.73 -44.55 13.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.482 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.38 -30.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.752 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.96 -22.74 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.917 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.6 OUTLIER -76.98 -46.52 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.071 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -87.46 -155.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.234 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 11.8 mtpt -150.61 157.04 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.68 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.88 129.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.98 2.3 62.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.158 ' O ' ' N ' ' A' ' 76' ' ' LYS . 8.8 tp10 -108.76 176.57 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.527 ' CA ' ' HB3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.6 152.42 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.228 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -145.54 139.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.109 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.55 132.93 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.485 ' CG2' HG22 ' A' ' 9' ' ' ILE . 2.6 p -121.15 168.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.553 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.42 38.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.469 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 42.3 t -166.95 179.99 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.49 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 14.8 m -135.28 -30.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.77 ' CB ' ' H ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -49.3 -26.46 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.601 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 71.25 23.78 3.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.097 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -104.46 -39.94 2.31 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.499 1.124 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.455 ' CB ' ' HZ2' ' A' ' 52' ' ' TRP . 2.6 t -64.86 -32.09 73.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 0.717 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.837 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.02 -34.73 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.865 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.451 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.65 -34.39 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.382 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.49 -46.28 5.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.621 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.03 4.03 5.11 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.823 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.84 -27.05 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.619 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.8 -66.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 108.038 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.866 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -50.9 -30.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.558 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 4.5 tt0 -44.55 -38.71 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.41 -36.75 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.482 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.1 m -45.13 -61.5 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.04 20.88 3.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.294 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.92 159.67 16.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.555 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 2.5 tt0 -56.85 128.68 37.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.61 109.41 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.278 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -92.32 -179.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.73 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -136.28 106.77 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.739 HG21 HG22 ' A' ' 73' ' ' VAL . 33.0 m -163.34 104.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.911 ' CE1' HG13 ' A' ' 72' ' ' ILE . 6.3 m-85 -142.12 129.74 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.22 132.25 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 1.047 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.9 72.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.04 -20.61 9.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.95 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.854 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.5 OUTLIER -162.46 119.65 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.469 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 9.1 p90 -81.64 146.94 29.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.307 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.6 pt-20 -148.79 165.68 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.18 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.8 mp -143.63 152.31 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.278 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.68 162.34 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.035 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -153.56 134.91 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.555 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 7.3 tttm -100.39 100.08 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.294 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -43.16 114.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 57' ' ' GLY . 2.9 m -138.18 22.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.68 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.101 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.121 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER 30.21 -15.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 1.6 ttmm -100.09 16.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.488 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 143.2 28.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.522 1.801 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.53 107.3 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.035 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.54 178.19 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.035 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 77.6 t -115.25 105.86 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.505 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.1 tt -148.04 109.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.445 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -152.01 133.53 14.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.484 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.86 119.31 17.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.014 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.76 101.5 11.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.696 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 90.09 22.77 34.36 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.452 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.75 1.39 53.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.163 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.9 OUTLIER 57.75 -151.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.406 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER 29.23 -17.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.844 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -74.97 -148.85 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.014 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.24 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -63.85 -26.35 69.98 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.484 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -75.02 -10.65 21.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.424 1.749 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.676 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.1 -28.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.829 ' HA ' HG13 ' A' ' 24' ' ' ILE . 7.9 mtp -95.28 -22.52 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.962 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.92 -34.57 42.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.169 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 10.4 mt -73.42 -51.9 15.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.993 HG12 ' HB3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.6 -42.58 81.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.62 -13.43 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.684 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -82.79 -40.78 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.303 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 1.7 p90 -43.54 -30.75 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.747 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -77.82 -23.19 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.694 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 tt0 -77.07 -46.47 23.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.064 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.89 -155.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.349 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.9 mtpt -150.45 158.42 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.71 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -50.74 141.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.18 4.89 89.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.264 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.3 tt0 -108.17 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.488 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -139.32 159.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.408 1.068 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.093 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.9 pp -150.92 139.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.265 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.25 131.43 52.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.505 ' CA ' HG23 ' A' ' 9' ' ' ILE . 8.0 p -121.07 169.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.445 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.23 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.426 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.7 t -166.25 179.9 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 43' ' ' ALA . 4.9 m -134.5 -32.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -47.33 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.609 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.01 23.58 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.123 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -107.38 -41.78 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.618 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -63.81 -26.69 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.341 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.77 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -49.24 -36.19 19.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.6 -39.71 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.065 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -85.8 -37.52 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.503 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.42 -45.47 5.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.641 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.01 4.44 4.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.58 -34.75 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.676 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.22 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.182 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -41.21 -46.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 44.8 tt0 -33.2 -38.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.47 -39.89 7.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.303 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -41.01 -62.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.707 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.14 20.94 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.566 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -110.58 158.02 19.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 110.33 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.641 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.33 135.11 53.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 61' ' ' VAL . 7.7 tp -76.54 122.92 25.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.198 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -104.7 -179.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.578 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.64 102.33 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.694 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 4.4 m -159.39 101.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.909 ' CE1' HG13 ' A' ' 72' ' ' ILE . 5.7 m-85 -142.32 127.49 18.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.01 136.24 10.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.92 72.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -112.29 -24.37 9.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.97 -40.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.835 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -160.58 119.82 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.618 ' CE1' HG22 ' A' ' 45' ' ' THR . 11.0 p90 -80.99 147.52 30.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.289 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.5 pt-20 -148.97 165.91 30.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.162 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.1 mp -143.49 157.87 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.198 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -121.09 164.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.08 ' SD ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -155.53 130.75 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.641 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.5 tttm -92.26 100.1 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.566 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 8.3 mmtt -43.49 114.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 75' ' ' LYS . 95.3 t -130.37 8.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.941 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 1.5 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.025 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.0 OUTLIER 26.51 -19.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.991 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -98.57 16.78 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.991 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 142.87 28.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.981 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -109.06 107.23 17.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.27 ' HE ' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -158.4 177.98 10.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 9' ' ' ILE . 4.5 m -120.8 105.1 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.376 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.646 ' CB ' HG22 ' A' ' 38' ' ' VAL . 2.1 mp -148.64 110.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 31.8 p-10 -151.91 133.73 14.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.448 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -129.4 119.55 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.13 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.32 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.67 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 91.27 22.7 31.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.444 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -91.16 -0.8 57.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.077 ' HD1' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 57.65 -151.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.936 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.443 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 33.72 -18.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.952 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -75.0 -157.51 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.028 -0.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.348 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.56 -29.05 38.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.585 1.178 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.448 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.05 -11.81 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.664 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -39.67 -29.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.776 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.6 mtt -92.63 -18.58 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.808 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.04 -30.38 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.515 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -73.37 -44.43 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 52' ' ' TRP . 2.2 pp -67.72 -37.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -76.78 -13.37 60.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -79.12 -46.52 17.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.313 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 9.7 p90 -43.82 -41.36 4.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.827 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 1.27 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.95 -46.31 24.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.09 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -90.33 -155.54 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.723 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 9.2 mtpt -150.33 158.67 44.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.682 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.71 138.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.4 1.063 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.85 83.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.924 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.84 176.68 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.714 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.981 HG23 ' N ' ' A' ' 6' ' ' ASP . 5.2 m -131.36 141.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.067 HD13 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -150.61 132.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.783 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.69 133.78 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.646 HG22 ' CB ' ' A' ' 9' ' ' ILE . 41.5 t -121.16 164.43 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.34 39.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.538 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.5 t -164.76 179.12 6.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 15.0 m -134.61 -32.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.67 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -46.8 -21.33 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.761 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.79 23.8 11.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.096 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.5 -41.22 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.571 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.03 -26.87 68.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 0.811 . . . . 0.0 110.35 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.64 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.85 -34.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.775 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.62 -40.24 12.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.346 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.7 -35.45 20.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.355 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -39.61 -47.32 4.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.887 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.7 Cg_endo -74.9 3.39 5.6 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.451 1.764 . . . . 0.0 111.057 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.54 -28.51 10.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.664 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -53.29 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.888 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -51.48 -40.38 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 15.3 tt0 -41.3 -38.7 1.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -100.41 -39.71 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.313 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.51 -64.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.947 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.28 20.85 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.218 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -111.12 162.2 15.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.621 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -56.26 129.02 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 61' ' ' VAL . 4.9 tp -76.63 119.51 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.456 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -103.33 179.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.825 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.14 110.01 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.425 1.078 . . . . 0.0 111.061 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 62' ' ' GLY . 10.8 m -163.71 106.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 1.118 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 23.8 m-85 -142.02 125.33 16.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.26 135.73 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.228 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.76 72.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -113.92 -21.47 10.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.03 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.913 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.4 p90 -162.33 119.82 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.571 ' CE1' HG22 ' A' ' 45' ' ' THR . 13.8 p90 -77.97 146.64 35.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.414 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 2.8 pt-20 -149.19 168.02 24.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.118 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -143.66 156.85 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.456 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -115.72 156.09 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.153 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -149.38 127.92 12.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.621 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 9.1 tttp -97.63 99.92 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.218 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 3.5 mmpt? -40.27 113.83 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 77' ' ' VAL . 10.3 t -142.8 19.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.416 1.072 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.947 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.23 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.977 HG23 HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 25.23 -16.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 6.5 tptp -98.54 17.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.544 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 143.02 28.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -115.18 107.58 15.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.254 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.4 178.29 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.254 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -114.67 105.77 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.466 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.2 tt -148.01 110.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.518 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.07 133.62 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.589 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.13 119.46 19.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.041 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.66 101.15 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.765 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.94 22.59 57.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.253 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -91.09 5.4 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.223 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.74 -151.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.063 ' N ' ' HD1' ' A' ' 15' ' ' TYR . 4.4 m 40.8 -18.51 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 108.321 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.44 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.5 Cg_endo -74.97 160.61 96.3 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.076 -0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.954 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -5.33 -36.09 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.589 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 -7.23 18.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.642 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -42.96 -30.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.971 ' O ' HG13 ' A' ' 24' ' ' ILE . 3.3 mtt -89.08 -25.38 21.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.924 ' C ' HD11 ' A' ' 9' ' ' ILE . 3.5 mm-40 -47.06 -32.58 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.5 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -73.6 -45.74 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.971 HG13 ' O ' ' A' ' 21' ' ' MET . 1.2 pp -63.7 -37.18 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -81.46 -13.31 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.976 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -76.87 -46.53 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.286 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 7.2 p90 -43.54 -35.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.718 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -76.02 -26.38 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.794 ' HB3' HH21 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.19 -46.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.086 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -89.87 -155.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.26 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.826 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.7 146.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.11 6.32 79.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.222 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.4 tt0 -110.96 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.544 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.69 153.77 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.379 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 1.3 pt -147.25 139.14 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.291 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.03 132.72 50.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.466 ' CA ' HG23 ' A' ' 9' ' ' ILE . 11.1 p -120.97 167.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.518 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.25 163.23 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.34 ' O ' ' N ' ' A' ' 70' ' ' TYR . 44.7 t -168.05 -179.95 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.604 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 4.0 m -134.05 -31.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.765 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -47.1 -34.12 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 79.77 23.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.074 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -105.73 -38.03 2.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.125 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.4 t -64.91 -34.86 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 110.406 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.903 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -46.01 -33.18 3.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 1.014 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.36 -49.23 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.354 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.435 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.61 -34.18 21.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.401 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.41 -46.69 8.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.63 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.3 Cg_endo -75.01 3.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -109.15 -27.23 9.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.642 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -50.35 -55.45 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.981 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.69 -39.24 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.687 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 53.8 tt0 -40.56 -38.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -39.57 7.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.286 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -42.41 -59.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.766 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.92 20.85 3.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.228 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.14 170.09 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.562 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -68.07 141.36 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.617 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -76.4 109.42 10.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.244 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.54 152.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -110.97 106.25 2.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.813 ' O ' ' O ' ' A' ' 71' ' ' GLU . 54.3 t -161.18 99.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.903 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 3.6 m-85 -142.08 129.18 20.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -158.08 129.19 6.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HG3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.96 72.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -119.49 -20.12 7.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.96 -40.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.886 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -161.39 119.83 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.34 ' N ' ' O ' ' A' ' 40' ' ' SER . 16.1 p90 -81.58 148.27 29.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.261 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 5.2 pt-20 -148.83 164.53 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.306 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.8 mp -143.49 146.87 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.244 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -108.87 157.88 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.017 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -148.2 135.02 20.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.562 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 26.5 tttp -99.71 100.22 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -43.64 115.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.096 HG13 ' O ' ' A' ' 75' ' ' LYS . 15.9 m -132.84 13.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.129 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.8 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.425 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.7 OUTLIER 29.49 -20.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.998 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 10.3 ttmt -99.73 16.62 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.023 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.97 142.87 28.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.728 ' H ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -112.86 107.36 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.131 ' NH1' ' HB3' ' A' ' 29' ' ' GLN . 7.4 ttt85 -158.54 178.37 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.019 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 99.4 t -112.88 105.41 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.53 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 mt -148.25 110.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.547 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.7 p-10 -151.41 133.54 15.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.536 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.34 119.48 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.175 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.4 11.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.805 ' HA2' ' OD1' ' A' ' 42' ' ' ASP . . . 83.39 22.72 56.09 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.585 1.178 . . . . 0.0 111.051 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.462 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -85.16 4.94 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.098 ' CD2' ' O ' ' A' ' 14' ' ' SER . 29.8 p90 57.82 -151.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.609 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER 28.61 -17.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.949 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -151.49 0.66 Allowed 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.982 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.279 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -58.29 -26.45 59.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.536 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 -10.16 21.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.609 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -40.57 -30.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.615 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.7 mtt -91.28 -23.55 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.772 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.66 -29.74 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.557 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -76.86 -46.75 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.773 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . 1.1 pt -66.45 -40.92 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.51 -13.32 60.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -82.69 -45.59 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.279 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.4 p90 -43.49 -26.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.671 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.2 -26.31 39.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 1.131 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.4 tt0 -77.06 -46.42 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.108 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -86.7 -155.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.324 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 154.36 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.82 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.85 124.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.99 10.91 57.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.062 ' O ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.46 176.73 5.02 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.129 HG11 ' CB ' ' A' ' 2' ' ' ASP . 12.3 m -130.03 147.11 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.087 HD12 HD11 ' A' ' 9' ' ' ILE . 4.9 pt -150.91 134.47 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.693 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -108.8 134.28 51.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.53 ' CG2' ' CG2' ' A' ' 9' ' ' ILE . 2.7 p -121.24 168.53 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.547 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.3 39.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 33.8 t -168.73 179.51 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.771 ' OG1' ' CD1' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -134.1 -34.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -43.67 -22.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.82 23.72 11.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.131 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.32 -39.21 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.662 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -67.16 -26.62 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.771 . . . . 0.0 110.443 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.976 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -47.85 -35.71 10.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.74 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.64 -40.0 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.108 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.6 -40.33 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.531 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.03 -47.69 5.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.94 4.07 5.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -107.57 -28.32 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.582 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -52.95 -54.27 37.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.944 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -53.83 -37.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 3.2 tt0 -46.05 -38.6 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.17 -36.24 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.279 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -46.47 -61.72 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.14 20.81 3.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.163 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.08 161.74 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.248 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.616 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.43 141.33 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 61' ' ' VAL . 7.4 tp -84.96 117.84 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.425 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -109.08 -179.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.85 109.73 0.79 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.721 ' O ' ' O ' ' A' ' 71' ' ' GLU . 53.7 t -161.76 98.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.964 ' CE1' HG13 ' A' ' 72' ' ' ILE . 2.0 m-85 -142.17 127.93 19.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.0 137.49 11.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 72.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -116.22 -21.62 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.671 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -165.97 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 1.101 ' CE1' ' HG3' ' A' ' 12' ' ' ARG . 3.6 m-85 -162.54 119.67 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 0.739 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.662 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.4 p90 -80.8 146.68 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.37 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 12.0 pt-20 -149.1 171.37 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.275 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.0 mp -143.51 153.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.425 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -115.01 146.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.052 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -143.27 128.04 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.616 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 tttp -94.58 100.06 12.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.324 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -40.62 115.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 75' ' ' LYS . 65.3 t -140.38 15.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.934 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.59 ' CB ' HG11 ' A' ' 35' ' ' VAL . 5.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.941 ' H ' HG11 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 28.11 -16.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.0 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -99.6 16.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.0 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.5 Cg_endo -74.93 143.34 29.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -112.9 107.24 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.049 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.24 178.05 10.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.049 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 74.1 t -114.23 105.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.52 HG12 ' CB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -148.01 110.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -152.18 133.62 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.642 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.11 119.52 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.091 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.86 102.03 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.785 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.88 22.85 60.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.241 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -89.7 3.34 53.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.178 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.59 -151.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.507 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m 42.12 -19.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.05 160.89 95.85 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.944 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.921 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -8.58 -36.01 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.642 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.03 -5.68 17.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.544 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -46.52 -28.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 1.052 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.4 mtt -96.72 -15.77 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.837 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -47.58 -38.99 15.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.317 HD11 ' CG2' ' A' ' 72' ' ' ILE . 62.6 mt -73.37 -52.38 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.077 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.3 pp -51.16 -37.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.7 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -93.06 -13.39 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -88.51 -43.31 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.529 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.56 -35.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.86 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -66.26 -21.78 66.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ALA . 4.0 tm0? -71.81 -46.44 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.372 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.33 -155.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.366 1.041 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.239 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.62 165.46 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.497 HG22 ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -52.12 135.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.227 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.671 ' HA2' HG12 ' A' ' 77' ' ' VAL . . . 82.79 7.07 87.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.599 1.187 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 4.0 tt0 -103.04 176.56 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.59 HG11 ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -140.71 149.44 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.183 HG12 ' NZ ' ' A' ' 76' ' ' LYS . 1.2 pp -150.49 138.44 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.297 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.76 134.56 47.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.52 ' CB ' HG12 ' A' ' 9' ' ' ILE . 13.6 p -120.97 167.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.32 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.369 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 42.9 t -165.95 179.93 5.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -135.73 -27.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.785 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -54.54 -30.1 52.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 75.01 23.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.08 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -102.44 -40.14 2.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.185 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.6 t -64.67 -35.01 79.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -44.64 -33.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 1.007 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.69 -48.65 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.469 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.68 -27.49 25.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.313 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -43.46 -44.66 14.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.762 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.94 1.28 7.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -101.73 -36.09 8.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.544 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -46.91 -68.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.848 ' HB ' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -44.68 -41.02 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.715 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 8.6 tt0 -43.81 -38.68 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.34 -21.5 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.529 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.8 m -61.82 -61.47 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.914 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.74 3.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.08 ' NE2' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -111.95 160.75 17.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 0.753 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.61 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.42 132.39 51.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 61' ' ' VAL . 2.2 tp -76.51 109.9 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.097 HG21 ' HB ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -96.82 -179.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.21 111.18 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 62' ' ' GLY . 50.1 t -162.61 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 1.127 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.9 m-85 -142.25 122.17 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.04 132.16 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.534 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.83 72.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -115.65 -18.32 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.699 ' C ' ' CD1' ' A' ' 69' ' ' TYR . . . -165.99 -46.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.983 ' CA ' ' O ' ' A' ' 40' ' ' SER . 57.0 m-85 -159.65 119.73 3.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.387 ' OH ' ' CD ' ' A' ' 19' ' ' PRO . 2.9 p90 -80.77 146.74 30.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.351 ' HB3' ' CA ' ' A' ' 39' ' ' TYR . 16.7 pt-20 -149.48 174.39 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.317 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -143.51 157.56 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.219 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.097 ' HB ' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.79 142.35 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.033 ' SD ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.86 125.99 15.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.61 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 10.5 ttpp -84.1 100.17 10.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.372 ' HG3' ' CB ' ' A' ' 30' ' ' ALA . 5.9 mmtt -43.79 110.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.497 ' C ' HG22 ' A' ' 32' ' ' VAL . 35.7 m -146.77 30.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 1.303 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.319 ' CG ' HG12 ' A' ' 35' ' ' VAL . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.197 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.87 -25.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.999 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -100.18 16.89 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.067 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.0 142.83 28.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -113.29 107.55 16.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.161 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -158.37 178.18 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.934 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 3.6 m -114.15 105.5 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.381 1.051 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.552 ' CG2' HG23 ' A' ' 38' ' ' VAL . 19.4 mm -148.24 110.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.615 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 5.4 p-10 -151.89 133.42 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.494 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.73 119.43 20.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.718 ' NH2' ' HB3' ' A' ' 69' ' ' TYR . 10.6 mmm-85 -105.76 104.02 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.94 22.87 51.59 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.438 1.087 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.429 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.64 2.14 51.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 0.823 . . . . 0.0 110.04 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.316 ' CD1' ' O ' ' A' ' 14' ' ' SER . 33.6 p90 57.72 -151.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.404 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 30.8 -16.86 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.303 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.935 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -149.6 0.52 Allowed 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.358 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -59.17 -29.5 65.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.494 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.07 -10.96 21.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.627 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.01 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.822 ' HA ' ' CG1' ' A' ' 24' ' ' ILE . 4.0 mtt -98.68 -14.95 19.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -52.89 -36.92 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.443 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 15.9 mt -73.21 -53.75 10.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.991 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.6 pp -50.72 -37.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.17 -13.35 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -81.72 -46.21 14.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.194 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.9 p90 -43.48 -31.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.746 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.15 -26.29 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.658 ' HG3' ' NH2' ' A' ' 7' ' ' ARG . 5.8 tm0? -77.1 -46.38 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.079 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.46 -155.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.294 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.96 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.769 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.74 117.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.49 14.85 39.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.174 ' HB3' ' CG ' ' A' ' 76' ' ' LYS . 3.9 tp10 -102.91 176.67 5.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.319 HG12 ' CG ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -129.93 140.15 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.237 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -151.23 133.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.702 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -108.81 135.83 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.552 HG23 ' CG2' ' A' ' 9' ' ' ILE . 4.3 p -121.17 165.32 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.615 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.17 163.24 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 111.082 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.543 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -167.26 179.92 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.969 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.557 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 1.8 m -135.38 -32.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.828 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -44.45 -22.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.718 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.54 23.68 10.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.085 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.2 -40.11 1.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.576 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -65.55 -26.8 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.421 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.992 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.98 -34.59 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.76 -41.34 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.192 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.75 -34.07 21.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.502 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -42.91 -47.12 13.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.694 ' HA ' HD12 ' A' ' 72' ' ' ILE . 18.1 Cg_endo -74.99 6.93 3.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.566 1.824 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.45 -35.61 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.627 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.06 -68.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.78 ' HB ' ' HE2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -42.97 -47.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.579 ' N ' HD13 ' A' ' 53' ' ' ILE . 13.7 tt0 -35.33 -38.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -100.23 -39.79 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.194 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.4 m -39.4 -60.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.984 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.924 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.91 3.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.122 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 1.1 pt20 -112.08 160.9 17.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.7 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.583 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.41 140.28 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 61' ' ' VAL . 6.8 tp -76.43 120.89 22.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.197 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -108.72 178.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.692 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.58 110.0 0.73 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.824 ' O ' ' HD1' ' A' ' 64' ' ' PHE . 53.9 t -163.28 93.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.992 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 1.2 m-85 -139.39 125.92 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -157.99 136.31 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.83 72.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -119.32 -18.86 8.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.83 -44.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.839 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.0 OUTLIER -162.53 119.72 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 110.993 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.576 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.5 p90 -80.64 148.25 30.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.347 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -148.97 175.83 10.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.038 HG13 ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.46 158.02 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.057 HG23 ' HB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -128.56 140.42 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.19 ' CE ' ' HB3' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.94 140.64 34.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.583 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 8.2 tttt -100.81 100.12 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.294 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 14.4 mmtt -39.12 116.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.722 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 14.1 t -140.16 13.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.924 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 1.031 ' CG ' HG11 ' A' ' 35' ' ' VAL . 7.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.95 ' CG2' HG12 ' A' ' 61' ' ' VAL . 1.2 t 27.37 -16.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 tttp -99.82 16.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.605 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.93 142.87 28.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 1.048 ' N ' HG23 ' A' ' 35' ' ' VAL . 4.2 p30 -114.97 107.48 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 1.169 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -158.38 178.06 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.899 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -115.52 105.69 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.622 HG22 ' CG2' ' A' ' 38' ' ' VAL . 3.2 mm -148.14 109.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 1.635 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 2.6 p-10 -152.2 133.59 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.576 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -130.98 119.29 21.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 1.026 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.82 105.14 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.722 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.44 22.87 57.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.435 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -92.88 4.89 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.052 ' CD2' ' O ' ' A' ' 14' ' ' SER . 19.2 p90 57.8 -151.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' HD12 ' A' ' 20' ' ' LEU . 1.1 m 32.61 -20.31 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 1.288 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -171.31 9.21 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.049 -0.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 1.067 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -40.06 -27.24 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.576 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.5 Cg_endo -74.9 -8.01 19.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.661 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -41.92 -25.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.644 ' HG3' HD22 ' A' ' 20' ' ' LEU . 4.1 mtp -95.13 -22.37 17.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.665 ' N ' ' O ' ' A' ' 19' ' ' PRO . 3.1 mm-40 -46.55 -37.46 8.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.365 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 84.6 mt -73.86 -46.47 44.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.901 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.8 pt -56.36 -37.07 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -83.34 -13.45 55.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.776 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -80.05 -48.83 12.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.343 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 4.7 p90 -43.56 -32.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.737 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -73.25 -25.73 60.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 1.15 ' CB ' HH21 ' A' ' 7' ' ' ARG . 1.1 tm0? -77.08 -46.43 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.204 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.44 -155.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.271 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 10.8 mtpt -150.46 160.89 43.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.76 118.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.207 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.26 36.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.96 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.78 176.73 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.605 ' HB ' ' CB ' ' A' ' 5' ' ' PRO . 4.9 m -132.81 140.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.169 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.97 136.0 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.696 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.81 134.35 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.622 ' CG2' HG22 ' A' ' 9' ' ' ILE . 5.3 p -121.14 164.15 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 1.635 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.23 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 1.634 ' HB3' ' CD2' ' A' ' 70' ' ' TYR . 38.0 t -158.08 178.51 10.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 68' ' ' GLY . 3.0 m -134.31 -34.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.459 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -42.11 -49.26 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 94.17 23.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.779 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -118.61 -22.87 3.56 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.237 HG21 ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -80.87 -26.53 36.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 0.805 . . . . 0.0 110.451 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 1.137 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -46.61 -31.38 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.789 ' O ' ' HD2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -89.32 -43.92 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 1.001 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.53 -26.44 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.299 ' HB2' ' OH ' ' A' ' 70' ' ' TYR . . . -40.64 -48.81 7.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.789 ' HD2' ' O ' ' A' ' 47' ' ' LYS . 18.4 Cg_endo -75.05 2.66 6.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.69 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -97.85 -33.49 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 1.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.16 -63.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.438 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -49.47 -35.19 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.577 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.8 tt0 -52.59 -38.54 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.08 -23.24 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.343 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -59.28 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.88 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.95 20.82 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 1.308 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.69 161.9 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.571 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -56.26 135.44 53.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 61' ' ' VAL . 3.1 tp -76.38 109.66 10.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.078 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.439 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -95.48 179.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.58 114.16 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' A' ' 73' ' ' VAL . 33.7 m -163.81 105.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 1.063 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.2 m-30 -138.85 130.64 27.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 3.1 t0 -157.92 125.52 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.54 ' HB3' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.95 72.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.214 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -118.47 -24.08 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 41' ' ' THR . . . -165.82 -45.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.613 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -154.65 122.49 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.634 ' CD2' ' HB3' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.07 176.44 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.348 ' CA ' ' HA ' ' A' ' 39' ' ' TYR . 3.7 pt-20 -177.05 162.56 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.126 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -143.45 158.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.439 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -118.17 154.54 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.438 ' SD ' ' HB ' ' A' ' 53' ' ' ILE . 4.9 mtm -151.54 133.33 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.571 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 23.3 tttt -101.47 100.14 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 1.308 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 5.5 mmpt? -38.16 117.14 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' GLU . 2.0 m -146.3 24.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.386 1.053 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.617 ' CE ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.551 0.215 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.279 ' CB ' HG11 ' A' ' 35' ' ' VAL . 6.3 t0 -72.95 -8.5 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.975 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.4 OUTLIER 27.33 -15.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 15.8 ttmm -97.08 16.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.617 ' CG ' ' CE ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 144.39 30.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -114.92 107.46 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.031 ' HG2' ' N ' ' A' ' 8' ' ' VAL . 1.3 ttt-85 -158.49 178.26 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.031 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 41.6 t -115.76 105.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.47 ' CG2' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -147.97 110.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.545 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -151.82 133.59 14.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.597 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -135.38 119.36 17.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.074 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.74 103.6 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.723 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.98 22.63 60.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.306 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -89.34 10.13 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.113 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 23.2 p90 57.85 -151.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.394 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 1.2 m 32.38 -20.86 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.392 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.96 -175.29 15.7 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.065 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.113 ' HA2' ' CE2' ' A' ' 15' ' ' TYR . . . -33.03 -26.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.597 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.509 ' CA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.27 -30.19 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.68 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.697 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 2.8 mm-40 -46.94 -27.33 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.513 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 2.9 mp -78.95 -57.82 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.937 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.5 -37.19 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -80.42 -13.53 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -79.12 -50.93 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.314 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 5.8 p90 -43.44 -31.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.691 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -78.27 -28.25 47.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.938 ' CB ' HH21 ' A' ' 7' ' ' ARG . 1.5 tm0? -77.02 -46.46 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.066 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -87.14 -155.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.304 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 159.34 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.61 140.76 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 1.285 ' N ' ' O ' ' A' ' 76' ' ' LYS . . . 79.96 6.09 89.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.267 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.7 tt0 -107.91 176.7 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.54 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -138.77 155.57 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.117 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.8 pp -147.08 139.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.663 ' HA ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.99 129.0 54.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.47 HG23 ' CG2' ' A' ' 9' ' ' ILE . 2.6 p -121.14 168.72 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.545 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.05 163.26 39.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.33 ' HA ' ' O ' ' A' ' 11' ' ' ALA . 37.8 t -162.96 -179.83 7.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 10.4 m -136.36 -33.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.82 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -47.82 -34.18 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 83.31 23.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -107.8 -36.29 2.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.146 ' CA ' ' O ' ' A' ' 16' ' ' CYS . 6.4 t -64.73 -26.6 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 1.422 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -54.28 -36.51 63.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.78 -42.61 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.153 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -81.1 -40.54 23.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.404 ' CB ' ' OH ' ' A' ' 70' ' ' TYR . . . -39.47 -46.7 4.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.715 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.0 Cg_endo -75.02 9.24 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -114.35 -28.45 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.513 ' HB2' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.9 -59.04 6.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.831 HG22 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.32 -36.37 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' OE1' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -48.07 -38.26 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.04 -36.57 9.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.314 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -43.41 -60.63 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.826 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.86 3.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.331 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -113.26 158.97 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.246 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.578 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -57.29 141.45 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.9 tp -76.38 112.54 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.263 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -97.32 -179.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -137.13 112.88 0.97 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 62' ' ' GLY . 21.9 t -163.67 103.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HE1' ' A' ' 70' ' ' TYR . 22.6 m-30 -142.27 128.54 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.01 126.77 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.93 72.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -117.67 -25.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' THR . . . -166.24 -46.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.725 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -151.41 119.83 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.422 ' CD1' ' HG3' ' A' ' 46' ' ' LYS . 2.2 t80 -78.93 176.52 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.452 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 12.9 pt-20 -174.72 167.26 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.216 ' CG2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.4 157.92 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.263 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -124.5 150.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.339 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -146.72 134.61 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.578 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.7 tttp -97.6 100.18 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.304 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 14.7 mmtt -39.11 119.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 75' ' ' LYS . 86.6 t -134.85 8.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.384 ' CB ' HG13 ' A' ' 61' ' ' VAL . 1.5 tpt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.474 0.178 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.136 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.5 t0 -114.51 -8.96 12.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.0 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.78 -13.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 tppp? -100.17 17.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.466 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.05 142.85 28.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -114.79 107.67 15.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.089 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 2.0 ttt-85 -158.34 178.03 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.942 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -112.65 106.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.446 HG22 ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt -147.65 110.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.567 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.2 p-10 -151.84 133.4 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.581 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.71 119.36 19.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.869 ' NH2' ' OG1' ' A' ' 41' ' ' THR . 10.3 mmm-85 -105.76 100.21 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.784 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 86.52 22.73 46.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.437 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.97 0.79 55.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.285 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 57.88 -151.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.387 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER 34.33 -20.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.077 ' C ' ' HD1' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.01 -159.84 2.02 Favored 'Cis proline' 0 C--N 1.361 1.214 0 C-N-CA 120.972 -2.511 . . . . 0.0 110.978 0.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.248 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.05 -27.7 31.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.581 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 -10.37 21.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.606 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.79 -31.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.907 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -91.98 -21.55 20.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.15 -35.11 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.434 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 96.7 mt -73.32 -53.2 11.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.11 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.64 -37.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.42 -13.36 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -90.47 -47.07 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.546 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.9 p90 -43.52 -32.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.44 -21.69 64.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.814 ' CB ' HH21 ' A' ' 7' ' ' ARG . 2.6 tm0? -72.88 -46.35 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.208 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -85.55 -155.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.196 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 163.71 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.718 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.65 131.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.55 3.39 69.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.197 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.5 tp10 -108.23 176.69 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.466 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.76 159.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.089 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.94 139.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.743 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.63 133.39 50.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.446 ' CG2' HG22 ' A' ' 9' ' ' ILE . 9.8 p -121.12 170.76 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.567 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.15 163.31 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -168.16 177.62 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.869 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 2.7 m -134.69 -30.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.784 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -49.55 -22.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.687 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.69 23.82 11.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.052 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.06 -39.63 2.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.643 ' CG2' ' HE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.92 -26.81 67.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.77 -35.17 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.77 -41.56 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.073 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -85.71 -32.72 21.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.393 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.63 -45.85 8.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.774 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 5.53 3.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -105.42 -34.26 7.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.606 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -47.04 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.887 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -45.55 -45.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.732 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 2.0 tt0 -33.36 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.933 ' HE3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.22 -39.63 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.546 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.53 -61.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.95 3.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.295 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -107.63 159.42 16.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.306 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.577 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.35 133.02 52.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.437 1.085 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.162 ' C ' ' HB2' ' A' ' 1' ' ' MET . 4.9 tp -76.61 121.4 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.384 HG13 ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -105.96 -179.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.43 109.51 0.71 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 62' ' ' GLY . 16.3 m -163.39 106.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 1.316 ' CE1' HD11 ' A' ' 72' ' ' ILE . 22.8 m-85 -141.93 125.96 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.98 129.18 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.92 72.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -117.32 -18.08 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 12' ' ' ARG . . . -165.86 -44.91 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.813 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -161.41 119.82 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.643 ' HE1' ' CG2' ' A' ' 45' ' ' THR . 6.5 p90 -81.9 146.83 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.277 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 16.4 pt-20 -148.9 169.46 20.49 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.316 HD11 ' CE1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -143.51 158.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.375 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.07 157.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.294 ' SD ' ' HB3' ' A' ' 23' ' ' LEU . 1.9 mtm -151.51 137.96 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 111.062 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.577 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 6.6 ttpt -100.62 100.07 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.295 ' CD ' ' OE1' ' A' ' 58' ' ' GLN . 4.7 mmtt -42.95 112.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 57' ' ' GLY . 6.3 m -127.95 5.52 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.693 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.413 ' H3 ' ' CB ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.465 0.174 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.214 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.7 t0 32.88 -0.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.161 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 29.09 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.004 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.86 17.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.527 ' HB3' ' CA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 142.7 28.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -114.51 107.36 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.014 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.13 177.88 10.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.014 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 34.1 m -113.52 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.485 HG22 ' CG2' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -147.75 110.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.553 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.15 133.59 14.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.621 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.55 119.6 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.015 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.91 100.69 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.55 22.79 52.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.421 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -88.97 3.79 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CG ' ' O ' ' A' ' 14' ' ' SER . 0.5 OUTLIER 57.83 -151.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.454 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 2.1 m 37.0 -20.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.235 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.301 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -75.05 179.87 29.14 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.005 0.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.072 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -29.42 -31.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.621 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.01 -7.94 19.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.619 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.92 -30.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.931 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.1 mtp -90.74 -19.82 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.11 -31.55 52.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.561 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.8 mp -73.99 -48.47 30.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.788 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -63.39 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.99 -13.37 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.951 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -84.73 -44.55 13.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.482 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.38 -30.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.752 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.96 -22.74 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.917 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.6 OUTLIER -76.98 -46.52 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.071 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -87.46 -155.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.234 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 11.8 mtpt -150.61 157.04 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.68 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.88 129.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.98 2.3 62.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.158 ' O ' ' N ' ' A' ' 76' ' ' LYS . 8.8 tp10 -108.76 176.57 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.527 ' CA ' ' HB3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.6 152.42 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.228 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -145.54 139.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.109 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.55 132.93 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.485 ' CG2' HG22 ' A' ' 9' ' ' ILE . 2.6 p -121.15 168.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.553 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.42 38.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.469 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 42.3 t -166.95 179.99 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.49 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 14.8 m -135.28 -30.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.77 ' CB ' ' H ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -49.3 -26.46 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.601 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 71.25 23.78 3.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.097 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -104.46 -39.94 2.31 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.499 1.124 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.455 ' CB ' ' HZ2' ' A' ' 52' ' ' TRP . 2.6 t -64.86 -32.09 73.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 0.717 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.837 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.02 -34.73 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.865 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.451 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.65 -34.39 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.382 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.49 -46.28 5.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.621 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.03 4.03 5.11 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.823 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.84 -27.05 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.619 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.8 -66.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 108.038 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.866 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -50.9 -30.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.558 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 4.5 tt0 -44.55 -38.71 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.41 -36.75 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.482 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.1 m -45.13 -61.5 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.04 20.88 3.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.294 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.92 159.67 16.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.555 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 2.5 tt0 -56.85 128.68 37.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.858 ' C ' ' HB2' ' A' ' 1' ' ' MET . 1.4 tp -76.61 109.41 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.278 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -92.32 -179.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.73 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -136.28 106.77 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.739 HG21 HG22 ' A' ' 73' ' ' VAL . 33.0 m -163.34 104.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.911 ' CE1' HG13 ' A' ' 72' ' ' ILE . 6.3 m-85 -142.12 129.74 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.22 132.25 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 1.047 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.9 72.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.04 -20.61 9.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.95 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.854 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.5 OUTLIER -162.46 119.65 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.469 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 9.1 p90 -81.64 146.94 29.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.307 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.6 pt-20 -148.79 165.68 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.18 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.8 mp -143.63 152.31 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.278 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.68 162.34 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.035 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -153.56 134.91 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.555 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 7.3 tttm -100.39 100.08 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.294 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -43.16 114.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 57' ' ' GLY . 2.9 m -138.18 22.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.68 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.573 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.492 0.187 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.101 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.9 t0 -76.26 -2.42 31.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.121 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER 30.21 -15.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 1.6 ttmm -100.09 16.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.488 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 143.2 28.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.522 1.801 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.53 107.3 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.035 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.54 178.19 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.035 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 77.6 t -115.25 105.86 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.505 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.1 tt -148.04 109.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.445 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -152.01 133.53 14.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.484 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.86 119.31 17.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.014 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.76 101.5 11.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.696 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 90.09 22.77 34.36 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.452 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.75 1.39 53.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.163 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.9 OUTLIER 57.75 -151.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.406 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER 29.23 -17.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.844 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -74.97 -148.85 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.014 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.24 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -63.85 -26.35 69.98 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.484 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -75.02 -10.65 21.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.424 1.749 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.676 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.1 -28.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.829 ' HA ' HG13 ' A' ' 24' ' ' ILE . 7.9 mtp -95.28 -22.52 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.962 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.92 -34.57 42.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.169 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 10.4 mt -73.42 -51.9 15.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.993 HG12 ' HB3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.6 -42.58 81.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.62 -13.43 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.684 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -82.79 -40.78 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.303 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 1.7 p90 -43.54 -30.75 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.747 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -77.82 -23.19 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.694 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 tt0 -77.07 -46.47 23.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.064 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.89 -155.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.349 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.9 mtpt -150.45 158.42 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.71 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -50.74 141.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.18 4.89 89.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.264 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.3 tt0 -108.17 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.488 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -139.32 159.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.408 1.068 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.093 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.9 pp -150.92 139.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.265 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.25 131.43 52.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.505 ' CA ' HG23 ' A' ' 9' ' ' ILE . 8.0 p -121.07 169.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.445 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.23 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.426 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.7 t -166.25 179.9 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 43' ' ' ALA . 4.9 m -134.5 -32.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -47.33 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.01 23.58 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.123 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -107.38 -41.78 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.618 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -63.81 -26.69 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.341 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.77 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -49.24 -36.19 19.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.6 -39.71 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.065 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -85.8 -37.52 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.503 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.42 -45.47 5.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.641 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.01 4.44 4.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.58 -34.75 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.676 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.22 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.182 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -41.21 -46.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 44.8 tt0 -33.2 -38.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.47 -39.89 7.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.303 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -41.01 -62.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.707 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.14 20.94 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.566 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -110.58 158.02 19.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 110.33 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.641 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.33 135.11 53.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.328 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 7.7 tp -76.54 122.92 25.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.573 HG22 ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -104.7 -179.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.578 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.64 102.33 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.694 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 4.4 m -159.39 101.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.909 ' CE1' HG13 ' A' ' 72' ' ' ILE . 5.7 m-85 -142.32 127.49 18.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.01 136.24 10.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.92 72.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -112.29 -24.37 9.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.97 -40.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.835 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -160.58 119.82 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.618 ' CE1' HG22 ' A' ' 45' ' ' THR . 11.0 p90 -80.99 147.52 30.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.289 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.5 pt-20 -148.97 165.91 30.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.162 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.1 mp -143.49 157.87 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.198 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -121.09 164.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.244 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -155.53 130.75 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.641 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.5 tttm -92.26 100.1 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.566 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 8.3 mmtt -43.49 114.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 75' ' ' LYS . 95.3 t -130.37 8.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.559 ' HG3' ' CB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.488 0.185 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.941 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 1.5 t70 -115.71 3.93 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.025 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.0 OUTLIER 26.51 -19.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.991 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -98.57 16.78 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.991 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 142.87 28.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.981 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -109.06 107.23 17.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.27 ' HE ' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -158.4 177.98 10.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 9' ' ' ILE . 4.5 m -120.8 105.1 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.376 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.646 ' CB ' HG22 ' A' ' 38' ' ' VAL . 2.1 mp -148.64 110.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 31.8 p-10 -151.91 133.73 14.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.448 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -129.4 119.55 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.13 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.32 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.67 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 91.27 22.7 31.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.444 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -91.16 -0.8 57.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.077 ' HD1' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 57.65 -151.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.936 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.443 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 33.72 -18.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.952 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -75.0 -157.51 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.028 -0.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.348 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.56 -29.05 38.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.585 1.178 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.448 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.05 -11.81 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.664 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -39.67 -29.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.776 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.6 mtt -92.63 -18.58 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.808 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.04 -30.38 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.515 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -73.37 -44.43 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 52' ' ' TRP . 2.2 pp -67.72 -37.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -76.78 -13.37 60.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -79.12 -46.52 17.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.313 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 9.7 p90 -43.82 -41.36 4.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.827 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 1.27 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.95 -46.31 24.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.09 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -90.33 -155.54 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 9.2 mtpt -150.33 158.67 44.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.682 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.71 138.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.4 1.063 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.85 83.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.924 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.84 176.68 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.714 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.981 HG23 ' N ' ' A' ' 6' ' ' ASP . 5.2 m -131.36 141.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.067 HD13 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -150.61 132.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.783 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.69 133.78 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.646 HG22 ' CB ' ' A' ' 9' ' ' ILE . 41.5 t -121.16 164.43 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.34 39.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.538 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.5 t -164.76 179.12 6.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 15.0 m -134.61 -32.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.67 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -46.8 -21.33 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.761 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.79 23.8 11.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.096 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.5 -41.22 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.571 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.03 -26.87 68.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 0.811 . . . . 0.0 110.35 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.64 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.85 -34.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.775 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.62 -40.24 12.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.346 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.7 -35.45 20.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.355 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -39.61 -47.32 4.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.887 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.7 Cg_endo -74.9 3.39 5.6 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.451 1.764 . . . . 0.0 111.057 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.54 -28.51 10.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.664 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -53.29 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.888 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -51.48 -40.38 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 15.3 tt0 -41.3 -38.7 1.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -100.41 -39.71 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.313 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.51 -64.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.947 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.28 20.85 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.218 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -111.12 162.2 15.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.621 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -56.26 129.02 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.261 ' O ' ' HB2' ' A' ' 1' ' ' MET . 4.9 tp -76.63 119.51 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.559 ' CB ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -103.33 179.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.825 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.14 110.01 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.425 1.078 . . . . 0.0 111.061 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 62' ' ' GLY . 10.8 m -163.71 106.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 1.118 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 23.8 m-85 -142.02 125.33 16.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.26 135.73 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.228 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.76 72.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -113.92 -21.47 10.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.03 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.913 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.4 p90 -162.33 119.82 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.571 ' CE1' HG22 ' A' ' 45' ' ' THR . 13.8 p90 -77.97 146.64 35.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.414 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 2.8 pt-20 -149.19 168.02 24.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.118 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -143.66 156.85 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.456 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -115.72 156.09 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.347 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -149.38 127.92 12.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.621 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 9.1 tttp -97.63 99.92 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.218 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 3.5 mmpt? -40.27 113.83 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 77' ' ' VAL . 10.3 t -142.8 19.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.416 1.072 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.947 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.468 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.2 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.493 0.187 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.23 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.5 t70 28.65 1.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.393 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.269 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 25.23 -16.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 6.5 tptp -98.54 17.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.544 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 143.02 28.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -115.18 107.58 15.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.254 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.4 178.29 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.254 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -114.67 105.77 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.466 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.2 tt -148.01 110.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.518 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.07 133.62 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.589 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.13 119.46 19.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.041 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.66 101.15 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.765 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.94 22.59 57.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.253 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -91.09 5.4 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.223 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.74 -151.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.063 ' N ' ' HD1' ' A' ' 15' ' ' TYR . 4.4 m 40.8 -18.51 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 108.321 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.44 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.5 Cg_endo -74.97 160.61 96.3 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.076 -0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.954 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -5.33 -36.09 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.589 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 -7.23 18.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.642 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -42.96 -30.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.971 ' O ' HG13 ' A' ' 24' ' ' ILE . 3.3 mtt -89.08 -25.38 21.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.924 ' C ' HD11 ' A' ' 9' ' ' ILE . 3.5 mm-40 -47.06 -32.58 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.5 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -73.6 -45.74 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.971 HG13 ' O ' ' A' ' 21' ' ' MET . 1.2 pp -63.7 -37.18 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -81.46 -13.31 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.976 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -76.87 -46.53 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.286 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 7.2 p90 -43.54 -35.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.718 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -76.02 -26.38 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.794 ' HB3' HH21 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.19 -46.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.086 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -89.87 -155.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.26 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.826 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.7 146.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.11 6.32 79.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.222 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.4 tt0 -110.96 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.544 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.69 153.77 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.379 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 1.3 pt -147.25 139.14 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.291 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.03 132.72 50.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.466 ' CA ' HG23 ' A' ' 9' ' ' ILE . 11.1 p -120.97 167.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.518 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.25 163.23 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.34 ' O ' ' N ' ' A' ' 70' ' ' TYR . 44.7 t -168.05 -179.95 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.604 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 4.0 m -134.05 -31.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.765 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -47.1 -34.12 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 79.77 23.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.074 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -105.73 -38.03 2.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.125 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.4 t -64.91 -34.86 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 110.406 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.903 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -46.01 -33.18 3.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 1.014 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.36 -49.23 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.354 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.435 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.61 -34.18 21.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.401 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.41 -46.69 8.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.63 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.3 Cg_endo -75.01 3.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -109.15 -27.23 9.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.642 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -50.35 -55.45 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.981 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.69 -39.24 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.687 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 53.8 tt0 -40.56 -38.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -39.57 7.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.286 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -42.41 -59.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.766 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.92 20.85 3.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.228 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.14 170.09 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.562 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -68.07 141.36 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.233 ' C ' ' HB2' ' A' ' 1' ' ' MET . 1.6 tp -76.4 109.42 10.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.468 ' CG2' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -95.54 152.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -110.97 106.25 2.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.813 ' O ' ' O ' ' A' ' 71' ' ' GLU . 54.3 t -161.18 99.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.903 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 3.6 m-85 -142.08 129.18 20.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -158.08 129.19 6.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HG3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.96 72.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -119.49 -20.12 7.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.96 -40.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.886 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -161.39 119.83 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.34 ' N ' ' O ' ' A' ' 40' ' ' SER . 16.1 p90 -81.58 148.27 29.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.261 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 5.2 pt-20 -148.83 164.53 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.306 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.8 mp -143.49 146.87 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.244 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -108.87 157.88 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.017 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -148.2 135.02 20.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.562 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 26.5 tttp -99.71 100.22 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -43.64 115.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.096 HG13 ' O ' ' A' ' 75' ' ' LYS . 15.9 m -132.84 13.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.168 ' HE3' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.528 0.204 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.129 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.8 t0 -108.48 23.48 14.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.425 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.7 OUTLIER 29.49 -20.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.998 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 10.3 ttmt -99.73 16.62 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.023 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.97 142.87 28.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.728 ' H ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -112.86 107.36 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.131 ' NH1' ' HB3' ' A' ' 29' ' ' GLN . 7.4 ttt85 -158.54 178.37 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.019 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 99.4 t -112.88 105.41 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.53 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 mt -148.25 110.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.547 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.7 p-10 -151.41 133.54 15.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.536 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.34 119.48 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.175 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.4 11.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.805 ' HA2' ' OD1' ' A' ' 42' ' ' ASP . . . 83.39 22.72 56.09 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.585 1.178 . . . . 0.0 111.051 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.462 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -85.16 4.94 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.098 ' CD2' ' O ' ' A' ' 14' ' ' SER . 29.8 p90 57.82 -151.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.609 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER 28.61 -17.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.949 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -151.49 0.66 Allowed 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.982 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.279 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -58.29 -26.45 59.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.536 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 -10.16 21.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.609 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -40.57 -30.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.615 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.7 mtt -91.28 -23.55 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.772 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.66 -29.74 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.557 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -76.86 -46.75 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.773 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . 1.1 pt -66.45 -40.92 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.51 -13.32 60.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -82.69 -45.59 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.279 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.4 p90 -43.49 -26.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.671 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.2 -26.31 39.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 1.131 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.4 tt0 -77.06 -46.42 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.108 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -86.7 -155.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.324 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 154.36 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.82 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.85 124.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.99 10.91 57.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.062 ' O ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.46 176.73 5.02 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.129 HG11 ' CB ' ' A' ' 2' ' ' ASP . 12.3 m -130.03 147.11 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.087 HD12 HD11 ' A' ' 9' ' ' ILE . 4.9 pt -150.91 134.47 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.693 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -108.8 134.28 51.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.53 ' CG2' ' CG2' ' A' ' 9' ' ' ILE . 2.7 p -121.24 168.53 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.547 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.3 39.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 33.8 t -168.73 179.51 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.771 ' OG1' ' CD1' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -134.1 -34.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -43.67 -22.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.82 23.72 11.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.131 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.32 -39.21 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.662 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -67.16 -26.62 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.771 . . . . 0.0 110.443 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.976 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -47.85 -35.71 10.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.74 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.64 -40.0 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.108 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.6 -40.33 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.531 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.03 -47.69 5.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.94 4.07 5.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -107.57 -28.32 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.582 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -52.95 -54.27 37.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.944 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -53.83 -37.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 3.2 tt0 -46.05 -38.6 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.17 -36.24 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.279 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -46.47 -61.72 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.14 20.81 3.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.163 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.08 161.74 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.248 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.616 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.43 141.33 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.92 ' C ' ' N ' ' A' ' 1' ' ' MET . 7.4 tp -84.96 117.84 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.425 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -109.08 -179.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.85 109.73 0.79 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.721 ' O ' ' O ' ' A' ' 71' ' ' GLU . 53.7 t -161.76 98.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.964 ' CE1' HG13 ' A' ' 72' ' ' ILE . 2.0 m-85 -142.17 127.93 19.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.0 137.49 11.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 72.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -116.22 -21.62 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.671 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -165.97 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 1.101 ' CE1' ' HG3' ' A' ' 12' ' ' ARG . 3.6 m-85 -162.54 119.67 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 0.739 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.662 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.4 p90 -80.8 146.68 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.37 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 12.0 pt-20 -149.1 171.37 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.275 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.0 mp -143.51 153.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.425 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -115.01 146.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.129 ' CA ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.27 128.04 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.616 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 tttp -94.58 100.06 12.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.324 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -40.62 115.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 75' ' ' LYS . 65.3 t -140.38 15.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.934 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.528 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.496 0.188 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.59 ' CB ' HG11 ' A' ' 35' ' ' VAL . 5.9 t0 -89.23 12.06 17.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.941 ' H ' HG11 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 28.11 -16.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.0 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -99.6 16.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.22 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.93 143.34 29.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -112.9 107.24 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.049 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.24 178.05 10.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.049 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 74.1 t -114.23 105.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.52 HG12 ' CB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -148.01 110.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -152.18 133.62 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.642 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.11 119.52 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.091 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.86 102.03 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.785 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.88 22.85 60.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.241 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -89.7 3.34 53.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.178 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.59 -151.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.507 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m 42.12 -19.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.05 160.89 95.85 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.944 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.921 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -8.58 -36.01 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.642 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.03 -5.68 17.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.544 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -46.52 -28.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 1.052 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.4 mtt -96.72 -15.77 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.837 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -47.58 -38.99 15.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.317 HD11 ' CG2' ' A' ' 72' ' ' ILE . 62.6 mt -73.37 -52.38 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.077 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.3 pp -51.16 -37.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.7 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -93.06 -13.39 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -88.51 -43.31 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.529 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.56 -35.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.86 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -66.26 -21.78 66.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ALA . 4.0 tm0? -71.81 -46.44 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.372 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.33 -155.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.366 1.041 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.239 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.62 165.46 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.497 HG22 ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -52.12 135.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.227 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.671 ' HA2' HG12 ' A' ' 77' ' ' VAL . . . 82.79 7.07 87.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.599 1.187 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 4.0 tt0 -103.04 176.56 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.59 HG11 ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -140.71 149.44 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.183 HG12 ' NZ ' ' A' ' 76' ' ' LYS . 1.2 pp -150.49 138.44 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.297 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.76 134.56 47.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.52 ' CB ' HG12 ' A' ' 9' ' ' ILE . 13.6 p -120.97 167.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.32 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.369 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 42.9 t -165.95 179.93 5.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -135.73 -27.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.785 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -54.54 -30.1 52.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 75.01 23.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.08 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -102.44 -40.14 2.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.185 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.6 t -64.67 -35.01 79.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -44.64 -33.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 1.007 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.69 -48.65 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.469 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.68 -27.49 25.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.313 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -43.46 -44.66 14.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.762 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.94 1.28 7.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -101.73 -36.09 8.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.544 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -46.91 -68.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.848 ' HB ' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -44.68 -41.02 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.715 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 8.6 tt0 -43.81 -38.68 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.34 -21.5 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.529 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.8 m -61.82 -61.47 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.914 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.74 3.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.08 ' NE2' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -111.95 160.75 17.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 0.753 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.61 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.42 132.39 51.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.165 ' C ' ' H1 ' ' A' ' 1' ' ' MET . 2.2 tp -76.51 109.9 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.528 HG22 ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -96.82 -179.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.21 111.18 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 62' ' ' GLY . 50.1 t -162.61 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 1.127 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.9 m-85 -142.25 122.17 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.04 132.16 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.534 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.83 72.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -115.65 -18.32 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.699 ' C ' ' CD1' ' A' ' 69' ' ' TYR . . . -165.99 -46.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.983 ' CA ' ' O ' ' A' ' 40' ' ' SER . 57.0 m-85 -159.65 119.73 3.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.387 ' OH ' ' CD ' ' A' ' 19' ' ' PRO . 2.9 p90 -80.77 146.74 30.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.351 ' HB3' ' CA ' ' A' ' 39' ' ' TYR . 16.7 pt-20 -149.48 174.39 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.317 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -143.51 157.56 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.219 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.097 ' HB ' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.79 142.35 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.414 ' N ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.86 125.99 15.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.61 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 10.5 ttpp -84.1 100.17 10.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.372 ' HG3' ' CB ' ' A' ' 30' ' ' ALA . 5.9 mmtt -43.79 110.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.497 ' C ' HG22 ' A' ' 32' ' ' VAL . 35.7 m -146.77 30.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 1.303 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.931 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.491 0.186 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.319 ' CG ' HG12 ' A' ' 35' ' ' VAL . 2.3 m-20 -86.98 -36.36 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.197 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.87 -25.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.999 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -100.18 16.89 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.067 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.0 142.83 28.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -113.29 107.55 16.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.161 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -158.37 178.18 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.934 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 3.6 m -114.15 105.5 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.381 1.051 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.552 ' CG2' HG23 ' A' ' 38' ' ' VAL . 19.4 mm -148.24 110.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.615 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 5.4 p-10 -151.89 133.42 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.494 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.73 119.43 20.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.718 ' NH2' ' HB3' ' A' ' 69' ' ' TYR . 10.6 mmm-85 -105.76 104.02 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.94 22.87 51.59 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.438 1.087 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.429 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.64 2.14 51.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 0.823 . . . . 0.0 110.04 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.316 ' CD1' ' O ' ' A' ' 14' ' ' SER . 33.6 p90 57.72 -151.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.404 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 30.8 -16.86 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.303 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.935 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -149.6 0.52 Allowed 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.358 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -59.17 -29.5 65.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.494 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.07 -10.96 21.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.627 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.01 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.822 ' HA ' ' CG1' ' A' ' 24' ' ' ILE . 4.0 mtt -98.68 -14.95 19.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -52.89 -36.92 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.443 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 15.9 mt -73.21 -53.75 10.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.991 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.6 pp -50.72 -37.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.17 -13.35 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -81.72 -46.21 14.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.194 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.9 p90 -43.48 -31.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.746 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.15 -26.29 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.658 ' HG3' ' NH2' ' A' ' 7' ' ' ARG . 5.8 tm0? -77.1 -46.38 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.079 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.46 -155.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.294 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.96 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.769 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.74 117.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.49 14.85 39.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.174 ' HB3' ' CG ' ' A' ' 76' ' ' LYS . 3.9 tp10 -102.91 176.67 5.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.319 HG12 ' CG ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -129.93 140.15 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.237 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -151.23 133.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.702 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -108.81 135.83 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.552 HG23 ' CG2' ' A' ' 9' ' ' ILE . 4.3 p -121.17 165.32 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.615 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.17 163.24 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 111.082 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.543 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -167.26 179.92 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.969 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.557 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 1.8 m -135.38 -32.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.828 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -44.45 -22.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.718 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.54 23.68 10.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.085 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.2 -40.11 1.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.576 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -65.55 -26.8 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.421 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.992 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.98 -34.59 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.76 -41.34 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.192 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.75 -34.07 21.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.502 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -42.91 -47.12 13.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.694 ' HA ' HD12 ' A' ' 72' ' ' ILE . 18.1 Cg_endo -74.99 6.93 3.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.566 1.824 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.45 -35.61 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.627 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.06 -68.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.78 ' HB ' ' HE2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -42.97 -47.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.579 ' N ' HD13 ' A' ' 53' ' ' ILE . 13.7 tt0 -35.33 -38.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -100.23 -39.79 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.194 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.4 m -39.4 -60.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.984 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.924 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.91 3.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.122 ' OE1' ' CD ' ' A' ' 76' ' ' LYS . 1.1 pt20 -112.08 160.9 17.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.7 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.583 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.41 140.28 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.931 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.8 tp -76.43 120.89 22.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.197 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -108.72 178.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.692 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.58 110.0 0.73 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.824 ' O ' ' HD1' ' A' ' 64' ' ' PHE . 53.9 t -163.28 93.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.992 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 1.2 m-85 -139.39 125.92 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -157.99 136.31 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.83 72.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -119.32 -18.86 8.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.83 -44.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.839 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.0 OUTLIER -162.53 119.72 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 110.993 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.576 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.5 p90 -80.64 148.25 30.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.347 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -148.97 175.83 10.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.038 HG13 ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.46 158.02 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.057 HG23 ' HB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -128.56 140.42 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.19 ' CE ' ' HB3' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.94 140.64 34.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.583 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 8.2 tttt -100.81 100.12 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.294 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 14.4 mmtt -39.12 116.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.722 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 14.1 t -140.16 13.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.924 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.17 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.465 0.174 . . . . 0.0 111.05 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.031 ' CG ' HG11 ' A' ' 35' ' ' VAL . 7.2 t0 -120.28 -8.54 9.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.95 ' CG2' HG12 ' A' ' 61' ' ' VAL . 1.2 t 27.37 -16.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 tttp -99.82 16.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.605 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.93 142.87 28.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 1.048 ' N ' HG23 ' A' ' 35' ' ' VAL . 4.2 p30 -114.97 107.48 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.169 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -158.38 178.06 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.899 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -115.52 105.69 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.622 HG22 ' CG2' ' A' ' 38' ' ' VAL . 3.2 mm -148.14 109.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 1.635 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 2.6 p-10 -152.2 133.59 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.576 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -130.98 119.29 21.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.026 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.82 105.14 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.722 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.44 22.87 57.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.435 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -92.88 4.89 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.052 ' CD2' ' O ' ' A' ' 14' ' ' SER . 19.2 p90 57.8 -151.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' HD12 ' A' ' 20' ' ' LEU . 1.1 m 32.61 -20.31 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.288 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -171.31 9.21 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.049 -0.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 1.067 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -40.06 -27.24 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.576 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.5 Cg_endo -74.9 -8.01 19.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.661 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -41.92 -25.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.644 ' HG3' HD22 ' A' ' 20' ' ' LEU . 4.1 mtp -95.13 -22.37 17.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.665 ' N ' ' O ' ' A' ' 19' ' ' PRO . 3.1 mm-40 -46.55 -37.46 8.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.365 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 84.6 mt -73.86 -46.47 44.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.901 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.8 pt -56.36 -37.07 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -83.34 -13.45 55.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.776 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -80.05 -48.83 12.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.343 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 4.7 p90 -43.56 -32.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.737 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -73.25 -25.73 60.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 1.15 ' CB ' HH21 ' A' ' 7' ' ' ARG . 1.1 tm0? -77.08 -46.43 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.204 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.44 -155.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.271 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 10.8 mtpt -150.46 160.89 43.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.76 118.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.207 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.26 36.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.96 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.78 176.73 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.605 ' HB ' ' CB ' ' A' ' 5' ' ' PRO . 4.9 m -132.81 140.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.169 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.97 136.0 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.696 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.81 134.35 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.622 ' CG2' HG22 ' A' ' 9' ' ' ILE . 5.3 p -121.14 164.15 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.635 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.23 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 1.634 ' HB3' ' CD2' ' A' ' 70' ' ' TYR . 38.0 t -158.08 178.51 10.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 68' ' ' GLY . 3.0 m -134.31 -34.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.459 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -42.11 -49.26 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 94.17 23.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.779 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -118.61 -22.87 3.56 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.237 HG21 ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -80.87 -26.53 36.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 0.805 . . . . 0.0 110.451 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 1.137 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -46.61 -31.38 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.789 ' O ' ' HD2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -89.32 -43.92 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 1.001 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.53 -26.44 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.299 ' HB2' ' OH ' ' A' ' 70' ' ' TYR . . . -40.64 -48.81 7.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.789 ' HD2' ' O ' ' A' ' 47' ' ' LYS . 18.4 Cg_endo -75.05 2.66 6.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.69 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -97.85 -33.49 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 1.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.16 -63.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.438 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -49.47 -35.19 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.577 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.8 tt0 -52.59 -38.54 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.08 -23.24 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.343 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -59.28 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.88 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.95 20.82 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 1.308 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.69 161.9 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.571 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -56.26 135.44 53.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.17 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.1 tp -76.38 109.66 10.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.078 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.439 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -95.48 179.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.58 114.16 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' A' ' 73' ' ' VAL . 33.7 m -163.81 105.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 1.063 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.2 m-30 -138.85 130.64 27.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 3.1 t0 -157.92 125.52 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.54 ' HB3' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.95 72.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.214 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -118.47 -24.08 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 41' ' ' THR . . . -165.82 -45.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.613 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -154.65 122.49 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.634 ' CD2' ' HB3' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.07 176.44 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.348 ' CA ' ' HA ' ' A' ' 39' ' ' TYR . 3.7 pt-20 -177.05 162.56 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.126 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -143.45 158.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.439 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -118.17 154.54 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.438 ' SD ' ' HB ' ' A' ' 53' ' ' ILE . 4.9 mtm -151.54 133.33 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.571 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 23.3 tttt -101.47 100.14 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 1.308 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 5.5 mmpt? -38.16 117.14 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' GLU . 2.0 m -146.3 24.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.386 1.053 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.279 ' CB ' HG11 ' A' ' 35' ' ' VAL . 6.3 t0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.975 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.4 OUTLIER 27.33 -15.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 15.8 ttmm -97.08 16.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.54 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.96 144.39 30.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -114.92 107.46 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.031 ' HG2' ' N ' ' A' ' 8' ' ' VAL . 1.3 ttt-85 -158.49 178.26 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.031 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 41.6 t -115.76 105.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.47 ' CG2' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -147.97 110.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.545 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -151.82 133.59 14.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.597 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -135.38 119.36 17.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.074 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.74 103.6 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.723 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.98 22.63 60.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.306 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -89.34 10.13 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.113 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 23.2 p90 57.85 -151.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.394 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 1.2 m 32.38 -20.86 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.392 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.96 -175.29 15.7 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.065 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.113 ' HA2' ' CE2' ' A' ' 15' ' ' TYR . . . -33.03 -26.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.597 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.509 ' CA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.27 -30.19 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.68 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.697 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 2.8 mm-40 -46.94 -27.33 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.513 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 2.9 mp -78.95 -57.82 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.937 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.5 -37.19 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -80.42 -13.53 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -79.12 -50.93 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.314 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 5.8 p90 -43.44 -31.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.691 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -78.27 -28.25 47.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.938 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.02 -46.46 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.066 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -87.14 -155.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.304 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 159.34 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.61 140.76 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 1.285 ' N ' ' O ' ' A' ' 76' ' ' LYS . . . 79.96 6.09 89.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.267 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.7 tt0 -107.91 176.7 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.54 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -138.77 155.57 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.117 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.8 pp -147.08 139.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.663 ' HA ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.99 129.0 54.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.47 HG23 ' CG2' ' A' ' 9' ' ' ILE . 2.6 p -121.14 168.72 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.545 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.05 163.26 39.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.33 ' HA ' ' O ' ' A' ' 11' ' ' ALA . 37.8 t -162.96 -179.83 7.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 10.4 m -136.36 -33.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.82 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -47.82 -34.18 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 83.31 23.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -107.8 -36.29 2.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.146 ' CA ' ' O ' ' A' ' 16' ' ' CYS . 6.4 t -64.73 -26.6 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 1.422 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -54.28 -36.51 63.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.78 -42.61 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.153 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -81.1 -40.54 23.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.404 ' CB ' ' OH ' ' A' ' 70' ' ' TYR . . . -39.47 -46.7 4.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.736 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 18.0 Cg_endo -75.02 9.24 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -114.35 -28.45 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.513 ' HB2' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.9 -59.04 6.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.831 HG22 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.32 -36.37 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.736 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -48.07 -38.26 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.04 -36.57 9.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.314 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -43.41 -60.63 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.826 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.86 3.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.352 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.26 158.97 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.246 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.578 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -57.29 141.45 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 61' ' ' VAL . 1.9 tp -76.38 112.54 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.263 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -97.32 -179.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -137.13 112.88 0.97 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 62' ' ' GLY . 21.9 t -163.67 103.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HE1' ' A' ' 70' ' ' TYR . 22.6 m-30 -142.27 128.54 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.01 126.77 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.93 72.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -117.67 -25.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' THR . . . -166.24 -46.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.725 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -151.41 119.83 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.422 ' CD1' ' HG3' ' A' ' 46' ' ' LYS . 2.2 t80 -78.93 176.52 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.452 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 12.9 pt-20 -174.72 167.26 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.216 ' CG2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.4 157.92 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.263 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -124.5 150.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.339 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -146.72 134.61 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.578 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.7 tttp -97.6 100.18 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.352 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 14.7 mmtt -39.11 119.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 75' ' ' LYS . 86.6 t -134.85 8.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.136 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.5 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.0 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.78 -13.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 tppp? -100.17 17.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.466 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.05 142.85 28.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -114.79 107.67 15.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.089 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 2.0 ttt-85 -158.34 178.03 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.942 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -112.65 106.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.446 HG22 ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt -147.65 110.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.567 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.2 p-10 -151.84 133.4 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.581 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.71 119.36 19.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.869 ' NH2' ' OG1' ' A' ' 41' ' ' THR . 10.3 mmm-85 -105.76 100.21 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.784 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 86.52 22.73 46.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.437 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.97 0.79 55.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.285 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 57.88 -151.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.387 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER 34.33 -20.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.077 ' C ' ' HD1' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.01 -159.84 2.02 Favored 'Cis proline' 0 C--N 1.361 1.214 0 C-N-CA 120.972 -2.511 . . . . 0.0 110.978 0.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.248 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.05 -27.7 31.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.581 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 -10.37 21.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.606 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.79 -31.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.907 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -91.98 -21.55 20.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.15 -35.11 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.434 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 96.7 mt -73.32 -53.2 11.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.11 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.64 -37.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.42 -13.36 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -90.47 -47.07 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.546 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.9 p90 -43.52 -32.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.44 -21.69 64.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.814 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.7 OUTLIER -72.88 -46.35 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.208 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -85.55 -155.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.196 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 163.71 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.718 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.65 131.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.55 3.39 69.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.197 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.5 tp10 -108.23 176.69 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.466 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.76 159.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.089 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.94 139.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.743 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.63 133.39 50.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.446 ' CG2' HG22 ' A' ' 9' ' ' ILE . 9.8 p -121.12 170.76 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.567 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.15 163.31 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -168.16 177.62 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.869 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 2.7 m -134.69 -30.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.784 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -49.55 -22.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.687 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.69 23.82 11.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.052 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.06 -39.63 2.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.643 ' CG2' ' HE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.92 -26.81 67.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.77 -35.17 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.77 -41.56 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.073 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -85.71 -32.72 21.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.393 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.63 -45.85 8.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.774 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 5.53 3.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -105.42 -34.26 7.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.606 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -47.04 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.887 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -45.55 -45.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.732 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -33.36 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.933 ' HE3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.22 -39.63 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.546 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.53 -61.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.95 3.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.47 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.63 159.42 16.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.306 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.577 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.35 133.02 52.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.437 1.085 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 61' ' ' VAL . 4.9 tp -76.61 121.4 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.375 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.96 -179.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.43 109.51 0.71 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 62' ' ' GLY . 16.3 m -163.39 106.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 1.316 ' CE1' HD11 ' A' ' 72' ' ' ILE . 22.8 m-85 -141.93 125.96 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.98 129.18 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.92 72.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -117.32 -18.08 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 12' ' ' ARG . . . -165.86 -44.91 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.813 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -161.41 119.82 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.643 ' HE1' ' CG2' ' A' ' 45' ' ' THR . 6.5 p90 -81.9 146.83 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.277 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 16.4 pt-20 -148.9 169.46 20.49 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.316 HD11 ' CE1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -143.51 158.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.375 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.07 157.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.294 ' SD ' ' HB3' ' A' ' 23' ' ' LEU . 1.9 mtm -151.51 137.96 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 111.062 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.577 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 6.6 ttpt -100.62 100.07 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.47 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 4.7 mmtt -42.95 112.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 57' ' ' GLY . 6.3 m -127.95 5.52 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.693 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.214 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.7 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.924 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.5 OUTLIER 29.09 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.004 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.86 17.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.527 ' HB3' ' CA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 142.7 28.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -114.51 107.36 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.014 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.13 177.88 10.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.014 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 34.1 m -113.52 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.485 HG22 ' CG2' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -147.75 110.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.553 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.15 133.59 14.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.621 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.55 119.6 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.015 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.91 100.69 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.55 22.79 52.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.421 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -88.97 3.79 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CG ' ' O ' ' A' ' 14' ' ' SER . 0.5 OUTLIER 57.83 -151.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.454 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 2.1 m 37.0 -20.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.235 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.301 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -75.05 179.87 29.14 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.005 0.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.072 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -29.42 -31.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.621 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.01 -7.94 19.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.619 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.92 -30.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.931 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.1 mtp -90.74 -19.82 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.11 -31.55 52.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.561 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.8 mp -73.99 -48.47 30.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.788 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -63.39 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.99 -13.37 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.951 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -84.73 -44.55 13.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.482 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.38 -30.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.752 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.96 -22.74 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.917 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.7 OUTLIER -76.98 -46.52 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.071 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -87.46 -155.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.234 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 11.8 mtpt -150.61 157.04 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.68 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.88 129.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.98 2.3 62.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.158 ' O ' ' N ' ' A' ' 76' ' ' LYS . 8.8 tp10 -108.76 176.57 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.527 ' CA ' ' HB3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.6 152.42 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.228 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -145.54 139.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.109 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.55 132.93 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.485 ' CG2' HG22 ' A' ' 9' ' ' ILE . 2.6 p -121.15 168.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.553 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.42 38.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.469 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 42.3 t -166.95 179.99 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.49 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 14.8 m -135.28 -30.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.77 ' CB ' ' H ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -49.3 -26.46 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.601 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 71.25 23.78 3.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.097 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -104.46 -39.94 2.31 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.499 1.124 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.455 ' CB ' ' HZ2' ' A' ' 52' ' ' TRP . 2.6 t -64.86 -32.09 73.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 0.717 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.837 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.02 -34.73 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.865 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.451 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.65 -34.39 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.382 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.49 -46.28 5.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.621 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.03 4.03 5.11 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.823 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.84 -27.05 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.619 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.8 -66.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 108.038 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.866 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -50.9 -30.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.558 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -44.55 -38.71 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.41 -36.75 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.482 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.1 m -45.13 -61.5 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.04 20.88 3.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.294 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.92 159.67 16.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.555 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 2.5 tt0 -56.85 128.68 37.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.61 109.41 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.278 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -92.32 -179.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.73 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -136.28 106.77 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.739 HG21 HG22 ' A' ' 73' ' ' VAL . 33.0 m -163.34 104.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.911 ' CE1' HG13 ' A' ' 72' ' ' ILE . 6.3 m-85 -142.12 129.74 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.22 132.25 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 1.047 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.9 72.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.04 -20.61 9.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.95 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.854 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.5 OUTLIER -162.46 119.65 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.469 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 9.1 p90 -81.64 146.94 29.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.307 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.6 pt-20 -148.79 165.68 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.18 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.8 mp -143.63 152.31 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.278 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.68 162.34 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.035 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -153.56 134.91 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.555 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 7.3 tttm -100.39 100.08 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.294 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -43.16 114.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 57' ' ' GLY . 2.9 m -138.18 22.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.68 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.101 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.121 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER 30.21 -15.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 1.6 ttmm -100.09 16.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.488 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 143.2 28.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.522 1.801 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.53 107.3 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.035 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.54 178.19 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.035 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 77.6 t -115.25 105.86 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.505 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.1 tt -148.04 109.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.445 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -152.01 133.53 14.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.484 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.86 119.31 17.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.014 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.76 101.5 11.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.696 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 90.09 22.77 34.36 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.452 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.75 1.39 53.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.163 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.9 OUTLIER 57.75 -151.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.406 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER 29.23 -17.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.844 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -74.97 -148.85 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.014 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.24 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -63.85 -26.35 69.98 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.484 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -75.02 -10.65 21.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.424 1.749 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.676 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.1 -28.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.829 ' HA ' HG13 ' A' ' 24' ' ' ILE . 7.9 mtp -95.28 -22.52 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.962 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.92 -34.57 42.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.169 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 10.4 mt -73.42 -51.9 15.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.993 HG12 ' HB3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.6 -42.58 81.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.62 -13.43 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.684 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -82.79 -40.78 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.303 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 1.7 p90 -43.54 -30.75 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.747 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -77.82 -23.19 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.694 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.5 tt0 -77.07 -46.47 23.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.064 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.89 -155.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.349 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.9 mtpt -150.45 158.42 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.71 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -50.74 141.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.18 4.89 89.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.264 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.3 tt0 -108.17 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.488 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -139.32 159.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.408 1.068 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.093 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.9 pp -150.92 139.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.265 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.25 131.43 52.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.505 ' CA ' HG23 ' A' ' 9' ' ' ILE . 8.0 p -121.07 169.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.445 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.23 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.426 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.7 t -166.25 179.9 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 43' ' ' ALA . 4.9 m -134.5 -32.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -47.33 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.609 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.01 23.58 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.123 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -107.38 -41.78 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.618 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -63.81 -26.69 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.341 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.77 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -49.24 -36.19 19.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.6 -39.71 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.065 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -85.8 -37.52 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.503 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.42 -45.47 5.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.641 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.01 4.44 4.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.58 -34.75 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.676 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.22 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.182 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -41.21 -46.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 6.5 tt0 -33.2 -38.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.47 -39.89 7.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.303 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -41.01 -62.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.707 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.14 20.94 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.566 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -110.58 158.02 19.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 110.33 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.641 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.33 135.11 53.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 61' ' ' VAL . 7.7 tp -76.54 122.92 25.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.198 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -104.7 -179.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.578 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.64 102.33 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.694 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 4.4 m -159.39 101.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.909 ' CE1' HG13 ' A' ' 72' ' ' ILE . 5.7 m-85 -142.32 127.49 18.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.01 136.24 10.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.92 72.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -112.29 -24.37 9.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.97 -40.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.835 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -160.58 119.82 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.618 ' CE1' HG22 ' A' ' 45' ' ' THR . 11.0 p90 -80.99 147.52 30.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.289 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.5 pt-20 -148.97 165.91 30.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.162 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.1 mp -143.49 157.87 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.198 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -121.09 164.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.08 ' SD ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -155.53 130.75 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.641 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.5 tttm -92.26 100.1 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.566 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 8.3 mmtt -43.49 114.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 75' ' ' LYS . 95.3 t -130.37 8.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.941 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 1.5 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.025 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.0 OUTLIER 26.51 -19.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.991 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -98.57 16.78 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.991 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 142.87 28.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.981 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -109.06 107.23 17.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.27 ' HE ' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -158.4 177.98 10.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 9' ' ' ILE . 4.5 m -120.8 105.1 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.376 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.646 ' CB ' HG22 ' A' ' 38' ' ' VAL . 2.1 mp -148.64 110.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 31.8 p-10 -151.91 133.73 14.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.448 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -129.4 119.55 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.13 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.32 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.67 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 91.27 22.7 31.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.444 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -91.16 -0.8 57.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.077 ' HD1' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 57.65 -151.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.936 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.443 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 33.72 -18.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.952 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -75.0 -157.51 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.028 -0.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.348 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.56 -29.05 38.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.585 1.178 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.448 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.05 -11.81 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.664 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -39.67 -29.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.776 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.6 mtt -92.63 -18.58 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.808 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.04 -30.38 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.515 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -73.37 -44.43 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 52' ' ' TRP . 2.2 pp -67.72 -37.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -76.78 -13.37 60.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -79.12 -46.52 17.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.313 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 9.7 p90 -43.82 -41.36 4.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.827 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 1.27 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.95 -46.31 24.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.09 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -90.33 -155.54 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.723 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 9.2 mtpt -150.33 158.67 44.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.682 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.71 138.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.4 1.063 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.85 83.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.924 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.84 176.68 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.714 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.981 HG23 ' N ' ' A' ' 6' ' ' ASP . 5.2 m -131.36 141.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.067 HD13 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -150.61 132.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.783 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.69 133.78 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.646 HG22 ' CB ' ' A' ' 9' ' ' ILE . 41.5 t -121.16 164.43 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.34 39.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.538 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.5 t -164.76 179.12 6.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 15.0 m -134.61 -32.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.67 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -46.8 -21.33 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.761 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.79 23.8 11.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.096 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.5 -41.22 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.571 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.03 -26.87 68.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 0.811 . . . . 0.0 110.35 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.64 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.85 -34.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.775 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.62 -40.24 12.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.346 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.7 -35.45 20.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.355 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -39.61 -47.32 4.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.887 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.7 Cg_endo -74.9 3.39 5.6 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.451 1.764 . . . . 0.0 111.057 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.54 -28.51 10.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.664 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -53.29 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.888 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -51.48 -40.38 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -41.3 -38.7 1.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -100.41 -39.71 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.313 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.51 -64.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.947 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.28 20.85 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.218 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.12 162.2 15.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.621 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -56.26 129.02 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 61' ' ' VAL . 4.9 tp -76.63 119.51 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.456 ' CG2' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -103.33 179.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.825 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.14 110.01 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.425 1.078 . . . . 0.0 111.061 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 62' ' ' GLY . 10.8 m -163.71 106.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 1.118 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 23.8 m-85 -142.02 125.33 16.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.26 135.73 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.228 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.76 72.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -113.92 -21.47 10.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.03 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.913 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.4 p90 -162.33 119.82 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.571 ' CE1' HG22 ' A' ' 45' ' ' THR . 13.8 p90 -77.97 146.64 35.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.414 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 2.8 pt-20 -149.19 168.02 24.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.118 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -143.66 156.85 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.456 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -115.72 156.09 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.153 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -149.38 127.92 12.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.621 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 9.1 tttp -97.63 99.92 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.218 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 3.5 mmpt? -40.27 113.83 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 77' ' ' VAL . 10.3 t -142.8 19.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.416 1.072 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.947 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.23 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.977 HG23 HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 25.23 -16.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 6.5 tptp -98.54 17.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.544 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 143.02 28.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -115.18 107.58 15.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.254 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.4 178.29 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.254 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -114.67 105.77 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.466 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.2 tt -148.01 110.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.518 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.07 133.62 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.589 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.13 119.46 19.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.041 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.66 101.15 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.765 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.94 22.59 57.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.253 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -91.09 5.4 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.223 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.74 -151.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.063 ' N ' ' HD1' ' A' ' 15' ' ' TYR . 4.4 m 40.8 -18.51 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 108.321 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.44 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.5 Cg_endo -74.97 160.61 96.3 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.076 -0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.954 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -5.33 -36.09 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.589 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 -7.23 18.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.642 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -42.96 -30.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.971 ' O ' HG13 ' A' ' 24' ' ' ILE . 3.3 mtt -89.08 -25.38 21.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.924 ' C ' HD11 ' A' ' 9' ' ' ILE . 3.5 mm-40 -47.06 -32.58 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.5 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -73.6 -45.74 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.971 HG13 ' O ' ' A' ' 21' ' ' MET . 1.2 pp -63.7 -37.18 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -81.46 -13.31 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.976 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -76.87 -46.53 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.286 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 7.2 p90 -43.54 -35.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.718 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -76.02 -26.38 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.794 ' HB3' HH21 ' A' ' 7' ' ' ARG . 0.6 OUTLIER -77.19 -46.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.086 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -89.87 -155.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.26 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.826 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.7 146.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.11 6.32 79.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.222 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.4 tt0 -110.96 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.544 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.69 153.77 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.379 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 1.3 pt -147.25 139.14 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.291 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.03 132.72 50.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.466 ' CA ' HG23 ' A' ' 9' ' ' ILE . 11.1 p -120.97 167.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.518 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.25 163.23 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.34 ' O ' ' N ' ' A' ' 70' ' ' TYR . 44.7 t -168.05 -179.95 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.604 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 4.0 m -134.05 -31.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.765 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -47.1 -34.12 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 79.77 23.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.074 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -105.73 -38.03 2.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.125 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.4 t -64.91 -34.86 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 110.406 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.903 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -46.01 -33.18 3.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 1.014 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.36 -49.23 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.354 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.435 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.61 -34.18 21.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.401 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.41 -46.69 8.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.63 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.3 Cg_endo -75.01 3.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -109.15 -27.23 9.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.642 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -50.35 -55.45 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.981 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.69 -39.24 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.687 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 7.5 tt0 -40.56 -38.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -39.57 7.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.286 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -42.41 -59.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.766 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.92 20.85 3.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.378 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.14 170.09 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.562 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -68.07 141.36 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.617 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -76.4 109.42 10.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.244 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.54 152.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -110.97 106.25 2.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.813 ' O ' ' O ' ' A' ' 71' ' ' GLU . 54.3 t -161.18 99.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.903 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 3.6 m-85 -142.08 129.18 20.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -158.08 129.19 6.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HG3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.96 72.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -119.49 -20.12 7.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.96 -40.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.886 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -161.39 119.83 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.34 ' N ' ' O ' ' A' ' 40' ' ' SER . 16.1 p90 -81.58 148.27 29.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.261 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 5.2 pt-20 -148.83 164.53 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.306 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.8 mp -143.49 146.87 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.244 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -108.87 157.88 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.017 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -148.2 135.02 20.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.562 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 26.5 tttp -99.71 100.22 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -43.64 115.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.096 HG13 ' O ' ' A' ' 75' ' ' LYS . 15.9 m -132.84 13.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.129 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.8 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.425 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.7 OUTLIER 29.49 -20.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.998 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 10.3 ttmt -99.73 16.62 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.023 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.97 142.87 28.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.728 ' H ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -112.86 107.36 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.131 ' NH1' ' HB3' ' A' ' 29' ' ' GLN . 7.4 ttt85 -158.54 178.37 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.019 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 99.4 t -112.88 105.41 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.53 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 mt -148.25 110.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.547 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.7 p-10 -151.41 133.54 15.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.536 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.34 119.48 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.175 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.4 11.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.805 ' HA2' ' OD1' ' A' ' 42' ' ' ASP . . . 83.39 22.72 56.09 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.585 1.178 . . . . 0.0 111.051 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.462 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -85.16 4.94 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.098 ' CD2' ' O ' ' A' ' 14' ' ' SER . 29.8 p90 57.82 -151.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.609 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER 28.61 -17.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.949 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -151.49 0.66 Allowed 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.982 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.279 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -58.29 -26.45 59.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.536 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 -10.16 21.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.609 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -40.57 -30.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.615 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.7 mtt -91.28 -23.55 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.772 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.66 -29.74 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.557 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -76.86 -46.75 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.773 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . 1.1 pt -66.45 -40.92 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.51 -13.32 60.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -82.69 -45.59 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.279 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.4 p90 -43.49 -26.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.671 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.2 -26.31 39.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 1.131 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.9 tt0 -77.06 -46.42 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.108 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -86.7 -155.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.324 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 154.36 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.82 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.85 124.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.99 10.91 57.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.062 ' O ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.46 176.73 5.02 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.129 HG11 ' CB ' ' A' ' 2' ' ' ASP . 12.3 m -130.03 147.11 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.087 HD12 HD11 ' A' ' 9' ' ' ILE . 4.9 pt -150.91 134.47 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.693 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -108.8 134.28 51.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.53 ' CG2' ' CG2' ' A' ' 9' ' ' ILE . 2.7 p -121.24 168.53 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.547 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.3 39.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 33.8 t -168.73 179.51 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.771 ' OG1' ' CD1' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -134.1 -34.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -43.67 -22.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.82 23.72 11.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.131 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.32 -39.21 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.662 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -67.16 -26.62 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.771 . . . . 0.0 110.443 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.976 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -47.85 -35.71 10.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.74 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.64 -40.0 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.108 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.6 -40.33 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.531 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.03 -47.69 5.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.94 4.07 5.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -107.57 -28.32 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.582 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -52.95 -54.27 37.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.944 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -53.83 -37.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -46.05 -38.6 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.17 -36.24 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.279 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -46.47 -61.72 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.14 20.81 3.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.293 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.08 161.74 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.248 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.616 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.43 141.33 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 61' ' ' VAL . 7.4 tp -84.96 117.84 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.425 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -109.08 -179.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.85 109.73 0.79 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.721 ' O ' ' O ' ' A' ' 71' ' ' GLU . 53.7 t -161.76 98.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.964 ' CE1' HG13 ' A' ' 72' ' ' ILE . 2.0 m-85 -142.17 127.93 19.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.0 137.49 11.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 72.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -116.22 -21.62 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.671 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -165.97 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 1.101 ' CE1' ' HG3' ' A' ' 12' ' ' ARG . 3.6 m-85 -162.54 119.67 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 0.739 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.662 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.4 p90 -80.8 146.68 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.37 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 12.0 pt-20 -149.1 171.37 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.275 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.0 mp -143.51 153.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.425 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -115.01 146.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.052 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -143.27 128.04 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.616 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 tttp -94.58 100.06 12.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.324 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -40.62 115.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 75' ' ' LYS . 65.3 t -140.38 15.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.934 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.59 ' CB ' HG11 ' A' ' 35' ' ' VAL . 5.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.941 ' H ' HG11 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 28.11 -16.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.0 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -99.6 16.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.0 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.5 Cg_endo -74.93 143.34 29.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -112.9 107.24 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.049 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.24 178.05 10.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.049 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 74.1 t -114.23 105.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.52 HG12 ' CB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -148.01 110.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -152.18 133.62 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.642 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.11 119.52 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.091 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.86 102.03 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.785 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.88 22.85 60.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.241 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -89.7 3.34 53.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.178 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.59 -151.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.507 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m 42.12 -19.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.05 160.89 95.85 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.944 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.921 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -8.58 -36.01 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.642 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.03 -5.68 17.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.544 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -46.52 -28.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 1.052 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.4 mtt -96.72 -15.77 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.837 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -47.58 -38.99 15.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.317 HD11 ' CG2' ' A' ' 72' ' ' ILE . 62.6 mt -73.37 -52.38 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.077 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.3 pp -51.16 -37.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.7 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -93.06 -13.39 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -88.51 -43.31 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.529 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.56 -35.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.86 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -66.26 -21.78 66.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -71.81 -46.44 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.372 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.33 -155.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.366 1.041 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.239 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.62 165.46 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.497 HG22 ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -52.12 135.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.227 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.671 ' HA2' HG12 ' A' ' 77' ' ' VAL . . . 82.79 7.07 87.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.599 1.187 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 4.0 tt0 -103.04 176.56 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.59 HG11 ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -140.71 149.44 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.183 HG12 ' NZ ' ' A' ' 76' ' ' LYS . 1.2 pp -150.49 138.44 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.297 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.76 134.56 47.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.52 ' CB ' HG12 ' A' ' 9' ' ' ILE . 13.6 p -120.97 167.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.32 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.369 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 42.9 t -165.95 179.93 5.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -135.73 -27.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.785 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -54.54 -30.1 52.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 75.01 23.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.08 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -102.44 -40.14 2.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.185 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.6 t -64.67 -35.01 79.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -44.64 -33.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 1.007 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.69 -48.65 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.469 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.68 -27.49 25.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.313 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -43.46 -44.66 14.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.762 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.94 1.28 7.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -101.73 -36.09 8.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.544 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -46.91 -68.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.848 ' HB ' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -44.68 -41.02 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.715 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.8 tt0 -43.81 -38.68 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.34 -21.5 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.529 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.8 m -61.82 -61.47 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.914 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.74 3.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.08 ' NE2' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -111.95 160.75 17.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 0.753 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.61 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.42 132.39 51.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 61' ' ' VAL . 2.2 tp -76.51 109.9 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.097 HG21 ' HB ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -96.82 -179.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.21 111.18 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 62' ' ' GLY . 50.1 t -162.61 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 1.127 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.9 m-85 -142.25 122.17 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.04 132.16 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.534 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.83 72.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -115.65 -18.32 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.699 ' C ' ' CD1' ' A' ' 69' ' ' TYR . . . -165.99 -46.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.983 ' CA ' ' O ' ' A' ' 40' ' ' SER . 57.0 m-85 -159.65 119.73 3.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.387 ' OH ' ' CD ' ' A' ' 19' ' ' PRO . 2.9 p90 -80.77 146.74 30.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.351 ' HB3' ' CA ' ' A' ' 39' ' ' TYR . 16.7 pt-20 -149.48 174.39 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.317 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -143.51 157.56 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.219 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.097 ' HB ' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.79 142.35 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.033 ' SD ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.86 125.99 15.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.61 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 10.5 ttpp -84.1 100.17 10.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.372 ' HG3' ' CB ' ' A' ' 30' ' ' ALA . 5.9 mmtt -43.79 110.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.497 ' C ' HG22 ' A' ' 32' ' ' VAL . 35.7 m -146.77 30.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 1.303 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.319 ' CG ' HG12 ' A' ' 35' ' ' VAL . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.197 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.87 -25.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.999 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -100.18 16.89 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.067 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.0 142.83 28.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -113.29 107.55 16.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.161 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -158.37 178.18 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.934 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 3.6 m -114.15 105.5 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.381 1.051 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.552 ' CG2' HG23 ' A' ' 38' ' ' VAL . 19.4 mm -148.24 110.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.615 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 5.4 p-10 -151.89 133.42 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.494 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.73 119.43 20.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.718 ' NH2' ' HB3' ' A' ' 69' ' ' TYR . 10.6 mmm-85 -105.76 104.02 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.94 22.87 51.59 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.438 1.087 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.429 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.64 2.14 51.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 0.823 . . . . 0.0 110.04 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.316 ' CD1' ' O ' ' A' ' 14' ' ' SER . 33.6 p90 57.72 -151.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.404 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 30.8 -16.86 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.303 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.935 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -149.6 0.52 Allowed 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.358 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -59.17 -29.5 65.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.494 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.07 -10.96 21.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.627 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.01 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.822 ' HA ' ' CG1' ' A' ' 24' ' ' ILE . 4.0 mtt -98.68 -14.95 19.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -52.89 -36.92 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.443 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 15.9 mt -73.21 -53.75 10.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.991 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.6 pp -50.72 -37.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.17 -13.35 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -81.72 -46.21 14.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.194 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.9 p90 -43.48 -31.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.746 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.15 -26.29 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.658 ' HG3' ' NH2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -77.1 -46.38 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.079 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.46 -155.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.294 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.96 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.769 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.74 117.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.49 14.85 39.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.174 ' HB3' ' CG ' ' A' ' 76' ' ' LYS . 3.9 tp10 -102.91 176.67 5.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.319 HG12 ' CG ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -129.93 140.15 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.237 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -151.23 133.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.702 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -108.81 135.83 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.552 HG23 ' CG2' ' A' ' 9' ' ' ILE . 4.3 p -121.17 165.32 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.615 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.17 163.24 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 111.082 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.543 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -167.26 179.92 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.969 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.557 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 1.8 m -135.38 -32.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.828 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -44.45 -22.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.718 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.54 23.68 10.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.085 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.2 -40.11 1.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.576 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -65.55 -26.8 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.421 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.992 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.98 -34.59 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.76 -41.34 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.192 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.75 -34.07 21.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.502 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -42.91 -47.12 13.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.694 ' HA ' HD12 ' A' ' 72' ' ' ILE . 18.1 Cg_endo -74.99 6.93 3.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.566 1.824 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.45 -35.61 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.627 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.06 -68.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.891 ' HB ' ' HE2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -42.97 -47.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.579 ' N ' HD13 ' A' ' 53' ' ' ILE . 1.6 tt0 -35.33 -38.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -100.23 -39.79 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.194 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.4 m -39.4 -60.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.984 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.924 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.91 3.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.272 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.08 160.9 17.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.7 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.583 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.41 140.28 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 61' ' ' VAL . 6.8 tp -76.43 120.89 22.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.197 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -108.72 178.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.692 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.58 110.0 0.73 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.824 ' O ' ' HD1' ' A' ' 64' ' ' PHE . 53.9 t -163.28 93.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.992 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 1.2 m-85 -139.39 125.92 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -157.99 136.31 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.83 72.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -119.32 -18.86 8.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.83 -44.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.839 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.0 OUTLIER -162.53 119.72 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 110.993 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.576 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.5 p90 -80.64 148.25 30.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.347 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -148.97 175.83 10.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.038 HG13 ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.46 158.02 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.057 HG23 ' HB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -128.56 140.42 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.19 ' CE ' ' HB3' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.94 140.64 34.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.583 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 8.2 tttt -100.81 100.12 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.294 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 14.4 mmtt -39.12 116.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.722 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 14.1 t -140.16 13.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.924 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 1.031 ' CG ' HG11 ' A' ' 35' ' ' VAL . 7.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.95 ' CG2' HG12 ' A' ' 61' ' ' VAL . 1.2 t 27.37 -16.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 tttp -99.82 16.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.605 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.93 142.87 28.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 1.048 ' N ' HG23 ' A' ' 35' ' ' VAL . 4.2 p30 -114.97 107.48 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 1.169 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -158.38 178.06 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.899 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -115.52 105.69 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.622 HG22 ' CG2' ' A' ' 38' ' ' VAL . 3.2 mm -148.14 109.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 1.635 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 2.6 p-10 -152.2 133.59 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.576 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -130.98 119.29 21.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 1.026 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.82 105.14 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.722 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.44 22.87 57.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.435 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -92.88 4.89 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.052 ' CD2' ' O ' ' A' ' 14' ' ' SER . 19.2 p90 57.8 -151.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' HD12 ' A' ' 20' ' ' LEU . 1.1 m 32.61 -20.31 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 1.288 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -171.31 9.21 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.049 -0.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 1.067 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -40.06 -27.24 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.576 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.5 Cg_endo -74.9 -8.01 19.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.661 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -41.92 -25.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.644 ' HG3' HD22 ' A' ' 20' ' ' LEU . 4.1 mtp -95.13 -22.37 17.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.665 ' N ' ' O ' ' A' ' 19' ' ' PRO . 3.1 mm-40 -46.55 -37.46 8.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.365 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 84.6 mt -73.86 -46.47 44.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.901 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.8 pt -56.36 -37.07 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -83.34 -13.45 55.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.776 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -80.05 -48.83 12.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.343 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 4.7 p90 -43.56 -32.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.737 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -73.25 -25.73 60.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 1.15 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.43 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.204 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.44 -155.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.271 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 10.8 mtpt -150.46 160.89 43.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.76 118.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.207 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.26 36.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.96 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.78 176.73 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.605 ' HB ' ' CB ' ' A' ' 5' ' ' PRO . 4.9 m -132.81 140.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.169 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.97 136.0 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.696 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.81 134.35 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.622 ' CG2' HG22 ' A' ' 9' ' ' ILE . 5.3 p -121.14 164.15 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 1.635 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.23 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 1.634 ' HB3' ' CD2' ' A' ' 70' ' ' TYR . 38.0 t -158.08 178.51 10.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 68' ' ' GLY . 3.0 m -134.31 -34.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.459 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -42.11 -49.26 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 94.17 23.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.779 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -118.61 -22.87 3.56 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.237 HG21 ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -80.87 -26.53 36.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 0.805 . . . . 0.0 110.451 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 1.137 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -46.61 -31.38 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.789 ' O ' ' HD2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -89.32 -43.92 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 1.001 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.53 -26.44 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.299 ' HB2' ' OH ' ' A' ' 70' ' ' TYR . . . -40.64 -48.81 7.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.789 ' HD2' ' O ' ' A' ' 47' ' ' LYS . 18.4 Cg_endo -75.05 2.66 6.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.69 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -97.85 -33.49 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 1.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.16 -63.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.438 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -49.47 -35.19 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.577 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -52.59 -38.54 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.08 -23.24 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.343 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -59.28 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.88 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.95 20.82 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 1.308 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.69 161.9 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.571 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -56.26 135.44 53.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 61' ' ' VAL . 3.1 tp -76.38 109.66 10.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.078 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.439 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -95.48 179.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.58 114.16 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' A' ' 73' ' ' VAL . 33.7 m -163.81 105.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 1.063 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.2 m-30 -138.85 130.64 27.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 3.1 t0 -157.92 125.52 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.54 ' HB3' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.95 72.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.214 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -118.47 -24.08 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 41' ' ' THR . . . -165.82 -45.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.613 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -154.65 122.49 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.634 ' CD2' ' HB3' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.07 176.44 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.348 ' CA ' ' HA ' ' A' ' 39' ' ' TYR . 3.7 pt-20 -177.05 162.56 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.126 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -143.45 158.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.439 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -118.17 154.54 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.438 ' SD ' ' HB ' ' A' ' 53' ' ' ILE . 4.9 mtm -151.54 133.33 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.571 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 23.3 tttt -101.47 100.14 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 1.308 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 5.5 mmpt? -38.16 117.14 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' GLU . 2.0 m -146.3 24.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.386 1.053 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.617 ' CE ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.551 0.215 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.279 ' CB ' HG11 ' A' ' 35' ' ' VAL . 6.3 t0 -72.95 -8.5 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.975 ' C ' ' CD ' ' A' ' 5' ' ' PRO . 0.4 OUTLIER 27.33 -15.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 15.8 ttmm -97.08 16.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.617 ' CG ' ' CE ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 144.39 30.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -114.92 107.46 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.031 ' HG2' ' N ' ' A' ' 8' ' ' VAL . 1.3 ttt-85 -158.49 178.26 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.031 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 41.6 t -115.76 105.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.47 ' CG2' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -147.97 110.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.545 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -151.82 133.59 14.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.597 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -135.38 119.36 17.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.074 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.74 103.6 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.723 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.98 22.63 60.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.306 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -89.34 10.13 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.113 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 23.2 p90 57.85 -151.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.394 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 1.2 m 32.38 -20.86 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.392 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.96 -175.29 15.7 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.065 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.113 ' HA2' ' CE2' ' A' ' 15' ' ' TYR . . . -33.03 -26.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.597 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.509 ' CA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.27 -30.19 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.68 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.697 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 2.8 mm-40 -46.94 -27.33 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.513 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 2.9 mp -78.95 -57.82 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.937 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.5 -37.19 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -80.42 -13.53 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -79.12 -50.93 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.314 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 5.8 p90 -43.44 -31.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.691 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -78.27 -28.25 47.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.938 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.02 -46.46 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.066 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -87.14 -155.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.304 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 159.34 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.61 140.76 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 1.285 ' N ' ' O ' ' A' ' 76' ' ' LYS . . . 79.96 6.09 89.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.267 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.7 tt0 -107.91 176.7 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.54 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -138.77 155.57 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.117 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.8 pp -147.08 139.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.663 ' HA ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -105.99 129.0 54.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.47 HG23 ' CG2' ' A' ' 9' ' ' ILE . 2.6 p -121.14 168.72 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.545 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.05 163.26 39.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.33 ' HA ' ' O ' ' A' ' 11' ' ' ALA . 37.8 t -162.96 -179.83 7.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 10.4 m -136.36 -33.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.82 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -47.82 -34.18 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 83.31 23.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -107.8 -36.29 2.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.146 ' CA ' ' O ' ' A' ' 16' ' ' CYS . 6.4 t -64.73 -26.6 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 1.422 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -54.28 -36.51 63.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.78 -42.61 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.153 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -81.1 -40.54 23.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.404 ' CB ' ' OH ' ' A' ' 70' ' ' TYR . . . -39.47 -46.7 4.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.736 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 18.0 Cg_endo -75.02 9.24 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -114.35 -28.45 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.513 ' HB2' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.9 -59.04 6.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.831 HG22 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.32 -36.37 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.736 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -48.07 -38.26 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.04 -36.57 9.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.314 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -43.41 -60.63 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.826 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.86 3.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.352 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.26 158.97 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.246 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.578 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -57.29 141.45 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.9 tp -76.38 112.54 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.263 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -97.32 -179.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -137.13 112.88 0.97 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 62' ' ' GLY . 21.9 t -163.67 103.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HE1' ' A' ' 70' ' ' TYR . 22.6 m-30 -142.27 128.54 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.01 126.77 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.93 72.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -117.67 -25.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' THR . . . -166.24 -46.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.725 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -151.41 119.83 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.422 ' CD1' ' HG3' ' A' ' 46' ' ' LYS . 2.2 t80 -78.93 176.52 9.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.452 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 12.9 pt-20 -174.72 167.26 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.216 ' CG2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.4 157.92 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.263 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -124.5 150.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.339 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -146.72 134.61 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.578 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 10.7 tttp -97.6 100.18 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.352 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 14.7 mmtt -39.11 119.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 75' ' ' LYS . 86.6 t -134.85 8.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.384 ' CB ' HG13 ' A' ' 61' ' ' VAL . 1.5 tpt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.474 0.178 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.136 ' CB ' HG11 ' A' ' 35' ' ' VAL . 1.5 t0 -114.51 -8.96 12.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.0 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.78 -13.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 tppp? -100.17 17.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.466 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.05 142.85 28.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -114.79 107.67 15.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.089 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 2.0 ttt-85 -158.34 178.03 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.942 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -112.65 106.21 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.446 HG22 ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt -147.65 110.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.567 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.2 p-10 -151.84 133.4 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.581 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.71 119.36 19.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.869 ' NH2' ' OG1' ' A' ' 41' ' ' THR . 10.3 mmm-85 -105.76 100.21 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.784 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 86.52 22.73 46.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.437 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.97 0.79 55.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.285 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 57.88 -151.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.387 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER 34.33 -20.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.077 ' C ' ' HD1' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.01 -159.84 2.02 Favored 'Cis proline' 0 C--N 1.361 1.214 0 C-N-CA 120.972 -2.511 . . . . 0.0 110.978 0.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.248 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.05 -27.7 31.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.581 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 -10.37 21.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.606 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.79 -31.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.907 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -91.98 -21.55 20.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.15 -35.11 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.434 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 96.7 mt -73.32 -53.2 11.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.11 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.64 -37.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.42 -13.36 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -90.47 -47.07 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.546 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.9 p90 -43.52 -32.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.44 -21.69 64.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.814 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.7 OUTLIER -72.88 -46.35 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.208 ' HB3' ' CD ' ' A' ' 76' ' ' LYS . . . -85.55 -155.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.196 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 163.71 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.718 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.65 131.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.55 3.39 69.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.197 ' O ' ' N ' ' A' ' 76' ' ' LYS . 3.5 tp10 -108.23 176.69 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.466 ' CB ' ' HB3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.76 159.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.089 ' CG2' ' HD2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.94 139.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.743 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.63 133.39 50.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.446 ' CG2' HG22 ' A' ' 9' ' ' ILE . 9.8 p -121.12 170.76 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.567 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.15 163.31 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -168.16 177.62 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.869 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 2.7 m -134.69 -30.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.784 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -49.55 -22.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.687 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.69 23.82 11.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.052 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.06 -39.63 2.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.643 ' CG2' ' HE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.92 -26.81 67.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.77 -35.17 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.77 -41.56 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.073 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -85.71 -32.72 21.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.393 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.63 -45.85 8.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.774 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 5.53 3.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -105.42 -34.26 7.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.606 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -47.04 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.887 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -45.55 -45.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.732 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -33.36 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.933 ' HE3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.22 -39.63 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.546 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.53 -61.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.04 20.95 3.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.47 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.63 159.42 16.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.306 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.577 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.35 133.02 52.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.437 1.085 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.162 ' C ' ' HB2' ' A' ' 1' ' ' MET . 4.9 tp -76.61 121.4 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.384 HG13 ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -105.96 -179.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.43 109.51 0.71 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.407 1.067 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 62' ' ' GLY . 16.3 m -163.39 106.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 1.316 ' CE1' HD11 ' A' ' 72' ' ' ILE . 22.8 m-85 -141.93 125.96 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.98 129.18 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.92 72.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -117.32 -18.08 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 12' ' ' ARG . . . -165.86 -44.91 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.813 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.9 OUTLIER -161.41 119.82 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.643 ' HE1' ' CG2' ' A' ' 45' ' ' THR . 6.5 p90 -81.9 146.83 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.277 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 16.4 pt-20 -148.9 169.46 20.49 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.316 HD11 ' CE1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -143.51 158.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.375 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.07 157.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.294 ' SD ' ' HB3' ' A' ' 23' ' ' LEU . 1.9 mtm -151.51 137.96 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 111.062 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.577 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 6.6 ttpt -100.62 100.07 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.47 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 4.7 mmtt -42.95 112.94 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 57' ' ' GLY . 6.3 m -127.95 5.52 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.693 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.413 ' H3 ' ' CB ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.465 0.174 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.214 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.7 t0 32.88 -0.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.161 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 29.09 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.004 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.86 17.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.527 ' HB3' ' CA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 142.7 28.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -114.51 107.36 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.014 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.13 177.88 10.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.014 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 34.1 m -113.52 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.485 HG22 ' CG2' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -147.75 110.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.553 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.15 133.59 14.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.621 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.55 119.6 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.015 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.91 100.69 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.55 22.79 52.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.456 1.097 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.421 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -88.97 3.79 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CG ' ' O ' ' A' ' 14' ' ' SER . 0.5 OUTLIER 57.83 -151.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.454 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 2.1 m 37.0 -20.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.235 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.301 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -75.05 179.87 29.14 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.005 0.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.072 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -29.42 -31.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.621 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.01 -7.94 19.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.619 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -43.92 -30.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 1.184 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.931 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.1 mtp -90.74 -19.82 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.11 -31.55 52.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.561 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.8 mp -73.99 -48.47 30.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.788 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -63.39 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.99 -13.37 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.951 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -84.73 -44.55 13.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.482 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.38 -30.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.752 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.96 -22.74 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.917 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.7 OUTLIER -76.98 -46.52 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.071 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -87.46 -155.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.234 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 11.8 mtpt -150.61 157.04 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.68 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.88 129.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.98 2.3 62.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.158 ' O ' ' N ' ' A' ' 76' ' ' LYS . 8.8 tp10 -108.76 176.57 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.527 ' CA ' ' HB3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.6 152.42 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.228 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -145.54 139.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.109 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.55 132.93 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.485 ' CG2' HG22 ' A' ' 9' ' ' ILE . 2.6 p -121.15 168.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.553 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.42 38.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.951 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.469 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 42.3 t -166.95 179.99 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.49 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 14.8 m -135.28 -30.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.77 ' CB ' ' H ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -49.3 -26.46 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.601 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 71.25 23.78 3.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.097 ' H ' ' HB3' ' A' ' 17' ' ' PRO . . . -104.46 -39.94 2.31 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.499 1.124 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.455 ' CB ' ' HZ2' ' A' ' 52' ' ' TRP . 2.6 t -64.86 -32.09 73.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 0.717 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.837 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.02 -34.73 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.865 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.451 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.65 -34.39 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.382 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.49 -46.28 5.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.621 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.03 4.03 5.11 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.823 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.84 -27.05 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.619 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.8 -66.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 108.038 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.866 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -50.9 -30.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.558 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -44.55 -38.71 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.41 -36.75 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.482 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.1 m -45.13 -61.5 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.04 20.88 3.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.294 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.92 159.67 16.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.555 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 2.5 tt0 -56.85 128.68 37.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.858 ' C ' ' HB2' ' A' ' 1' ' ' MET . 1.4 tp -76.61 109.41 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.278 HG23 ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -92.32 -179.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.73 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -136.28 106.77 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.739 HG21 HG22 ' A' ' 73' ' ' VAL . 33.0 m -163.34 104.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.911 ' CE1' HG13 ' A' ' 72' ' ' ILE . 6.3 m-85 -142.12 129.74 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.22 132.25 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 1.047 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -109.9 72.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.04 -20.61 9.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.95 -41.46 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.854 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.5 OUTLIER -162.46 119.65 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.469 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 9.1 p90 -81.64 146.94 29.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.307 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.6 pt-20 -148.79 165.68 30.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.18 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.8 mp -143.63 152.31 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.278 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.68 162.34 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.035 ' SD ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -153.56 134.91 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.555 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 7.3 tttm -100.39 100.08 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.294 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -43.16 114.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 57' ' ' GLY . 2.9 m -138.18 22.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.68 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.573 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.492 0.187 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.101 ' CB ' HG11 ' A' ' 35' ' ' VAL . 4.9 t0 -76.26 -2.42 31.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.121 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER 30.21 -15.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.002 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 1.6 ttmm -100.09 16.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.488 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 143.2 28.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.522 1.801 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.53 107.3 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.035 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -158.54 178.19 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.035 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 77.6 t -115.25 105.86 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.505 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.1 tt -148.04 109.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.445 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -152.01 133.53 14.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.484 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.86 119.31 17.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.014 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.76 101.5 11.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.696 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 90.09 22.77 34.36 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.452 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.75 1.39 53.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.163 ' CD1' ' O ' ' A' ' 14' ' ' SER . 0.9 OUTLIER 57.75 -151.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.406 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER 29.23 -17.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.844 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -74.97 -148.85 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.014 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.24 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -63.85 -26.35 69.98 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.484 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -75.02 -10.65 21.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.424 1.749 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.676 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -40.1 -28.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.829 ' HA ' HG13 ' A' ' 24' ' ' ILE . 7.9 mtp -95.28 -22.52 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.962 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.92 -34.57 42.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.169 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 10.4 mt -73.42 -51.9 15.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.993 HG12 ' HB3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.6 -42.58 81.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.62 -13.43 60.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.684 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -82.79 -40.78 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.303 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 1.7 p90 -43.54 -30.75 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.747 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -77.82 -23.19 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.694 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.5 tt0 -77.07 -46.47 23.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.064 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.89 -155.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.349 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.9 mtpt -150.45 158.42 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.71 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -50.74 141.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.18 4.89 89.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.264 ' O ' ' N ' ' A' ' 76' ' ' LYS . 4.3 tt0 -108.17 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.488 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -139.32 159.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.408 1.068 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.093 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.9 pp -150.92 139.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.265 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.25 131.43 52.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.505 ' CA ' HG23 ' A' ' 9' ' ' ILE . 8.0 p -121.07 169.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.445 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.19 163.23 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.426 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.7 t -166.25 179.9 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 43' ' ' ALA . 4.9 m -134.5 -32.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -47.33 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.01 23.58 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.123 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -107.38 -41.78 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.618 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -63.81 -26.69 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.341 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.77 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -49.24 -36.19 19.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.6 -39.71 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.065 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -85.8 -37.52 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.503 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.42 -45.47 5.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.641 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.2 Cg_endo -75.01 4.44 4.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.58 -34.75 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.676 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.22 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.182 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -41.21 -46.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.573 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 6.5 tt0 -33.2 -38.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -100.47 -39.89 7.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.303 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -41.01 -62.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.707 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . 121.14 20.94 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.566 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -110.58 158.02 19.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 110.33 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.641 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.33 135.11 53.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.328 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 7.7 tp -76.54 122.92 25.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.573 HG22 ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -104.7 -179.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.578 ' O ' ' CG1' ' A' ' 63' ' ' VAL . . . -137.64 102.33 0.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.694 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 4.4 m -159.39 101.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.909 ' CE1' HG13 ' A' ' 72' ' ' ILE . 5.7 m-85 -142.32 127.49 18.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.01 136.24 10.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.92 72.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -112.29 -24.37 9.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.97 -40.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.835 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -160.58 119.82 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.618 ' CE1' HG22 ' A' ' 45' ' ' THR . 11.0 p90 -80.99 147.52 30.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.289 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 8.5 pt-20 -148.97 165.91 30.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.162 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.1 mp -143.49 157.87 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.198 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -121.09 164.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.244 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -155.53 130.75 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.641 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.5 tttm -92.26 100.1 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.566 ' CD ' ' NE2' ' A' ' 58' ' ' GLN . 8.3 mmtt -43.49 114.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 75' ' ' LYS . 95.3 t -130.37 8.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.559 ' HG3' ' CB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.488 0.185 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.941 ' C ' ' HD3' ' A' ' 5' ' ' PRO . 1.5 t70 -115.71 3.93 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.025 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.0 OUTLIER 26.51 -19.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.991 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -98.57 16.78 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.991 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 142.87 28.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.981 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -109.06 107.23 17.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.27 ' HE ' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -158.4 177.98 10.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 9' ' ' ILE . 4.5 m -120.8 105.1 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.376 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.646 ' CB ' HG22 ' A' ' 38' ' ' VAL . 2.1 mp -148.64 110.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 31.8 p-10 -151.91 133.73 14.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.448 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -129.4 119.55 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.13 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.32 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.67 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 91.27 22.7 31.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.444 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -91.16 -0.8 57.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.077 ' HD1' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 57.65 -151.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.936 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.443 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 33.72 -18.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.952 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -75.0 -157.51 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.028 -0.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.348 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -53.56 -29.05 38.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.585 1.178 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.448 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.05 -11.81 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.664 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -39.67 -29.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.776 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.6 mtt -92.63 -18.58 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.808 ' HB2' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -57.04 -30.38 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.515 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -73.37 -44.43 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.916 HG23 ' HA ' ' A' ' 52' ' ' TRP . 2.2 pp -67.72 -37.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -76.78 -13.37 60.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -79.12 -46.52 17.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.313 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 9.7 p90 -43.82 -41.36 4.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.827 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 1.27 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.95 -46.31 24.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.09 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -90.33 -155.54 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 9.2 mtpt -150.33 158.67 44.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.682 ' HA ' ' C ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -50.71 138.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.4 1.063 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.85 83.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.924 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.84 176.68 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.714 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.981 HG23 ' N ' ' A' ' 6' ' ' ASP . 5.2 m -131.36 141.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.067 HD13 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -150.61 132.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.783 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.69 133.78 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.646 HG22 ' CB ' ' A' ' 9' ' ' ILE . 41.5 t -121.16 164.43 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.34 39.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.538 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 35.5 t -164.76 179.12 6.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 69' ' ' TYR . 15.0 m -134.61 -32.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.67 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -46.8 -21.33 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.761 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.79 23.8 11.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.096 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -106.5 -41.22 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.571 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -65.03 -26.87 68.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 0.811 . . . . 0.0 110.35 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.64 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -46.85 -34.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.775 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.62 -40.24 12.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.346 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.7 -35.45 20.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.355 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -39.61 -47.32 4.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.887 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.7 Cg_endo -74.9 3.39 5.6 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.451 1.764 . . . . 0.0 111.057 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -105.54 -28.51 10.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.664 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -53.29 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.888 ' CG1' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -51.48 -40.38 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -41.3 -38.7 1.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.693 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -100.41 -39.71 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.313 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -42.51 -64.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.947 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.28 20.85 3.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.218 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.12 162.2 15.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.621 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -56.26 129.02 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.261 ' O ' ' HB2' ' A' ' 1' ' ' MET . 4.9 tp -76.63 119.51 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.559 ' CB ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -103.33 179.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.825 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.14 110.01 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.425 1.078 . . . . 0.0 111.061 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 62' ' ' GLY . 10.8 m -163.71 106.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 1.118 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 23.8 m-85 -142.02 125.33 16.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -158.26 135.73 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.228 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.76 72.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -113.92 -21.47 10.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.03 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.913 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.4 p90 -162.33 119.82 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.571 ' CE1' HG22 ' A' ' 45' ' ' THR . 13.8 p90 -77.97 146.64 35.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.414 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 2.8 pt-20 -149.19 168.02 24.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.118 ' CG1' ' HE1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -143.66 156.85 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.456 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -115.72 156.09 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.347 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -149.38 127.92 12.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.621 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 9.1 tttp -97.63 99.92 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.218 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 3.5 mmpt? -40.27 113.83 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 77' ' ' VAL . 10.3 t -142.8 19.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.416 1.072 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.947 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.468 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.2 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.493 0.187 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.23 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.5 t70 28.65 1.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.393 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.269 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 25.23 -16.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 6.5 tptp -98.54 17.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.544 ' CG ' ' HB ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 143.02 28.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -115.18 107.58 15.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.254 ' NH1' ' O ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.4 178.29 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.254 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -114.67 105.77 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.466 HG23 ' CA ' ' A' ' 38' ' ' VAL . 1.2 tt -148.01 110.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.518 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -152.07 133.62 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.589 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -133.13 119.46 19.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.041 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.66 101.15 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.765 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.94 22.59 57.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.253 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -91.09 5.4 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.223 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.74 -151.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.063 ' N ' ' HD1' ' A' ' 15' ' ' TYR . 4.4 m 40.8 -18.51 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 108.321 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.44 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.5 Cg_endo -74.97 160.61 96.3 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.076 -0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.954 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -5.33 -36.09 0.0 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.589 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 -7.23 18.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.642 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -42.96 -30.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.971 ' O ' HG13 ' A' ' 24' ' ' ILE . 3.3 mtt -89.08 -25.38 21.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.924 ' C ' HD11 ' A' ' 9' ' ' ILE . 3.5 mm-40 -47.06 -32.58 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.5 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -73.6 -45.74 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.971 HG13 ' O ' ' A' ' 21' ' ' MET . 1.2 pp -63.7 -37.18 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.891 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -81.46 -13.31 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.976 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -76.87 -46.53 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.286 ' HB3' ' CB ' ' A' ' 56' ' ' SER . 7.2 p90 -43.54 -35.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.718 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -76.02 -26.38 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.794 ' HB3' HH21 ' A' ' 7' ' ' ARG . 0.6 OUTLIER -77.19 -46.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.086 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -89.87 -155.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.26 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.826 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -50.7 146.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.11 6.32 79.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.222 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.4 tt0 -110.96 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.544 ' HB ' ' CG ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -138.69 153.77 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.379 HG23 ' NZ ' ' A' ' 76' ' ' LYS . 1.3 pt -147.25 139.14 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.291 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.03 132.72 50.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.466 ' CA ' HG23 ' A' ' 9' ' ' ILE . 11.1 p -120.97 167.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.518 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.25 163.23 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.34 ' O ' ' N ' ' A' ' 70' ' ' TYR . 44.7 t -168.05 -179.95 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.604 ' N ' ' CD2' ' A' ' 70' ' ' TYR . 4.0 m -134.05 -31.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.765 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -47.1 -34.12 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 79.77 23.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.074 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -105.73 -38.03 2.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.125 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.4 t -64.91 -34.86 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 110.406 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.903 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -46.01 -33.18 3.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 1.014 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.36 -49.23 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.354 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.435 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.61 -34.18 21.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.401 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -41.41 -46.69 8.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.63 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 18.3 Cg_endo -75.01 3.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -109.15 -27.23 9.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.642 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -50.35 -55.45 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.981 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.69 -39.24 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.687 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 7.5 tt0 -40.56 -38.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -39.57 7.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.286 ' CB ' ' HB3' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -42.41 -59.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.766 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.92 20.85 3.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.378 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.14 170.09 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.562 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -68.07 141.36 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.233 ' C ' ' HB2' ' A' ' 1' ' ' MET . 1.6 tp -76.4 109.42 10.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.468 ' CG2' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -95.54 152.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -110.97 106.25 2.01 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.813 ' O ' ' O ' ' A' ' 71' ' ' GLU . 54.3 t -161.18 99.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.903 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 3.6 m-85 -142.08 129.18 20.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -158.08 129.19 6.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HG3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.96 72.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -119.49 -20.12 7.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.96 -40.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.886 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -161.39 119.83 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.34 ' N ' ' O ' ' A' ' 40' ' ' SER . 16.1 p90 -81.58 148.27 29.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.261 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 5.2 pt-20 -148.83 164.53 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.306 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.8 mp -143.49 146.87 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.244 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -108.87 157.88 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.017 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -148.2 135.02 20.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.562 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 26.5 tttp -99.71 100.22 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -43.64 115.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.096 HG13 ' O ' ' A' ' 75' ' ' LYS . 15.9 m -132.84 13.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.826 ' N ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.168 ' HE3' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.528 0.204 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.129 ' CB ' HG11 ' A' ' 35' ' ' VAL . 2.8 t0 -108.48 23.48 14.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.425 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 0.7 OUTLIER 29.49 -20.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.998 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 10.3 ttmt -99.73 16.62 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.023 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.97 142.87 28.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.728 ' H ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -112.86 107.36 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.131 ' NH1' ' HB3' ' A' ' 29' ' ' GLN . 7.4 ttt85 -158.54 178.37 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.019 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 99.4 t -112.88 105.41 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.53 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 mt -148.25 110.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.547 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 1.7 p-10 -151.41 133.54 15.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.536 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -134.34 119.48 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.175 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.62 102.4 11.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.805 ' HA2' ' OD1' ' A' ' 42' ' ' ASP . . . 83.39 22.72 56.09 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.585 1.178 . . . . 0.0 111.051 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.462 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -85.16 4.94 32.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.098 ' CD2' ' O ' ' A' ' 14' ' ' SER . 29.8 p90 57.82 -151.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.609 ' SG ' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER 28.61 -17.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.949 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -151.49 0.66 Allowed 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.982 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.279 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -58.29 -26.45 59.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.536 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 -10.16 21.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.609 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -40.57 -30.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.615 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.7 mtt -91.28 -23.55 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.772 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -51.66 -29.74 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.557 ' CB ' ' HB2' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -76.86 -46.75 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.773 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . 1.1 pt -66.45 -40.92 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -76.51 -13.32 60.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 36' ' ' ILE . . . -82.69 -45.59 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.279 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.4 p90 -43.49 -26.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.671 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.2 -26.31 39.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 1.131 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.9 tt0 -77.06 -46.42 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.108 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . . . -86.7 -155.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.324 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.57 154.36 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.82 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.85 124.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.99 10.91 57.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.062 ' O ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -108.46 176.73 5.02 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 0.752 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.129 HG11 ' CB ' ' A' ' 2' ' ' ASP . 12.3 m -130.03 147.11 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.087 HD12 HD11 ' A' ' 9' ' ' ILE . 4.9 pt -150.91 134.47 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.693 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -108.8 134.28 51.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.53 ' CG2' ' CG2' ' A' ' 9' ' ' ILE . 2.7 p -121.24 168.53 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.547 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.3 39.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.479 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 33.8 t -168.73 179.51 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.771 ' OG1' ' CD1' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -134.1 -34.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -43.67 -22.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.162 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 65.82 23.72 11.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.131 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.32 -39.21 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.662 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -67.16 -26.62 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.771 . . . . 0.0 110.443 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.976 ' HG3' ' HB2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -47.85 -35.71 10.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.74 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.64 -40.0 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.108 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.6 -40.33 16.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.531 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -40.03 -47.69 5.68 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.94 4.07 5.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -107.57 -28.32 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.582 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -52.95 -54.27 37.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.944 HD11 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -53.83 -37.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.684 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -46.05 -38.6 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.17 -36.24 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.279 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -46.47 -61.72 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.14 20.81 3.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.293 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -111.08 161.74 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.248 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.616 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.43 141.33 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.92 ' C ' ' N ' ' A' ' 1' ' ' MET . 7.4 tp -84.96 117.84 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.425 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -109.08 -179.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.85 109.73 0.79 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.721 ' O ' ' O ' ' A' ' 71' ' ' GLU . 53.7 t -161.76 98.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.964 ' CE1' HG13 ' A' ' 72' ' ' ILE . 2.0 m-85 -142.17 127.93 19.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.0 137.49 11.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 72.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -116.22 -21.62 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.671 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -165.97 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 1.101 ' CE1' ' HG3' ' A' ' 12' ' ' ARG . 3.6 m-85 -162.54 119.67 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 0.739 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.662 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.4 p90 -80.8 146.68 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.37 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 12.0 pt-20 -149.1 171.37 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.275 HD12 ' C ' ' A' ' 71' ' ' GLU . 2.0 mp -143.51 153.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.425 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -115.01 146.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.129 ' CA ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.27 128.04 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.616 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 6.6 tttp -94.58 100.06 12.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.324 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -40.62 115.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 75' ' ' LYS . 65.3 t -140.38 15.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.934 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.528 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.496 0.188 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.59 ' CB ' HG11 ' A' ' 35' ' ' VAL . 5.9 t0 -89.23 12.06 17.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.941 ' H ' HG11 ' A' ' 61' ' ' VAL . 0.5 OUTLIER 28.11 -16.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.0 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -99.6 16.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.22 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.93 143.34 29.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -112.9 107.24 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.049 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 5.4 ttt-85 -158.24 178.05 10.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.049 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 74.1 t -114.23 105.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.52 HG12 ' CB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -148.01 110.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.614 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -152.18 133.62 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.642 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.11 119.52 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.091 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.86 102.03 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.785 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 80.88 22.85 60.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.241 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -89.7 3.34 53.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.178 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER 57.59 -151.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.507 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m 42.12 -19.75 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.05 160.89 95.85 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.944 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.921 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -8.58 -36.01 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.642 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.03 -5.68 17.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.544 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -46.52 -28.67 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 1.052 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.4 mtt -96.72 -15.77 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.837 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -47.58 -38.99 15.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.317 HD11 ' CG2' ' A' ' 72' ' ' ILE . 62.6 mt -73.37 -52.38 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.077 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.3 pp -51.16 -37.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.7 ' N ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -93.06 -13.39 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' O ' ' A' ' 22' ' ' GLU . . . -88.51 -43.31 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.529 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.2 p90 -43.56 -35.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.86 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -66.26 -21.78 66.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -71.81 -46.44 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.372 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.33 -155.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.366 1.041 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.239 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.62 165.46 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.497 HG22 ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -52.12 135.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.227 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.671 ' HA2' HG12 ' A' ' 77' ' ' VAL . . . 82.79 7.07 87.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.599 1.187 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 4.0 tt0 -103.04 176.56 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.59 HG11 ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -140.71 149.44 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.183 HG12 ' NZ ' ' A' ' 76' ' ' LYS . 1.2 pp -150.49 138.44 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.297 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -104.76 134.56 47.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.52 ' CB ' HG12 ' A' ' 9' ' ' ILE . 13.6 p -120.97 167.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.614 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.24 163.32 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.369 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 42.9 t -165.95 179.93 5.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -135.73 -27.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.785 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -54.54 -30.1 52.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 75.01 23.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.08 ' H ' ' CB ' ' A' ' 17' ' ' PRO . . . -102.44 -40.14 2.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.185 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.6 t -64.67 -35.01 79.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -44.64 -33.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 1.007 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.69 -48.65 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.469 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.68 -27.49 25.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.313 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -43.46 -44.66 14.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.762 ' HG3' ' CZ ' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.94 1.28 7.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 54' ' ' GLN . . . -101.73 -36.09 8.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.544 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -46.91 -68.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.848 ' HB ' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -44.68 -41.02 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.715 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 1.8 tt0 -43.81 -38.68 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.34 -21.5 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.529 ' HB3' ' CB ' ' A' ' 27' ' ' TYR . 1.8 m -61.82 -61.47 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.071 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.914 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.74 3.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.08 ' NE2' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -111.95 160.75 17.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 0.753 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.61 ' HB2' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.42 132.39 51.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.165 ' C ' ' H1 ' ' A' ' 1' ' ' MET . 2.2 tp -76.51 109.9 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.528 HG22 ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -96.82 -179.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -134.21 111.18 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 62' ' ' GLY . 50.1 t -162.61 104.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 1.127 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.9 m-85 -142.25 122.17 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.04 132.16 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.534 ' HD2' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.83 72.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -115.65 -18.32 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.699 ' C ' ' CD1' ' A' ' 69' ' ' TYR . . . -165.99 -46.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.983 ' CA ' ' O ' ' A' ' 40' ' ' SER . 57.0 m-85 -159.65 119.73 3.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.387 ' OH ' ' CD ' ' A' ' 19' ' ' PRO . 2.9 p90 -80.77 146.74 30.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.351 ' HB3' ' CA ' ' A' ' 39' ' ' TYR . 16.7 pt-20 -149.48 174.39 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.317 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -143.51 157.56 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.219 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.097 ' HB ' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.79 142.35 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.414 ' N ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.86 125.99 15.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.61 ' CB ' ' HB2' ' A' ' 59' ' ' GLU . 10.5 ttpp -84.1 100.17 10.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.372 ' HG3' ' CB ' ' A' ' 30' ' ' ALA . 5.9 mmtt -43.79 110.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.497 ' C ' HG22 ' A' ' 32' ' ' VAL . 35.7 m -146.77 30.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 1.303 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.931 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.491 0.186 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.319 ' CG ' HG12 ' A' ' 35' ' ' VAL . 2.3 m-20 -86.98 -36.36 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.197 ' H ' ' CG1' ' A' ' 61' ' ' VAL . 1.2 t 29.87 -25.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.999 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -100.18 16.89 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.067 ' HB2' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.0 142.83 28.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -113.29 107.55 16.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.161 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -158.37 178.18 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.934 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 3.6 m -114.15 105.5 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.381 1.051 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.552 ' CG2' HG23 ' A' ' 38' ' ' VAL . 19.4 mm -148.24 110.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.615 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 5.4 p-10 -151.89 133.42 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.494 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -132.73 119.43 20.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.718 ' NH2' ' HB3' ' A' ' 69' ' ' TYR . 10.6 mmm-85 -105.76 104.02 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 84.94 22.87 51.59 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.438 1.087 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.429 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -87.64 2.14 51.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 0.823 . . . . 0.0 110.04 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.316 ' CD1' ' O ' ' A' ' 14' ' ' SER . 33.6 p90 57.72 -151.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.404 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 30.8 -16.86 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 108.303 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.935 ' HB3' ' H ' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -149.6 0.52 Allowed 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.358 ' C ' ' CB ' ' A' ' 14' ' ' SER . . . -59.17 -29.5 65.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.494 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.07 -10.96 21.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.627 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -41.01 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.822 ' HA ' ' CG1' ' A' ' 24' ' ' ILE . 4.0 mtt -98.68 -14.95 19.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -52.89 -36.92 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.443 ' HG ' ' CE3' ' A' ' 52' ' ' TRP . 15.9 mt -73.21 -53.75 10.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.991 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.6 pp -50.72 -37.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -85.17 -13.35 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 29' ' ' GLN . . . -81.72 -46.21 14.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.194 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 2.9 p90 -43.48 -31.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.746 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.15 -26.29 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.658 ' HG3' ' NH2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -77.1 -46.38 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.079 ' HB1' ' HG3' ' A' ' 76' ' ' LYS . . . -85.46 -155.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.294 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.51 157.96 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.769 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -50.74 117.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.49 14.85 39.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.174 ' HB3' ' CG ' ' A' ' 76' ' ' LYS . 3.9 tp10 -102.91 176.67 5.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.319 HG12 ' CG ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -129.93 140.15 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.237 ' CG2' ' HE3' ' A' ' 76' ' ' LYS . 1.2 pp -151.23 133.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.702 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -108.81 135.83 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.552 HG23 ' CG2' ' A' ' 9' ' ' ILE . 4.3 p -121.17 165.32 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.615 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.17 163.24 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 111.082 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.543 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 37.3 t -167.26 179.92 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.969 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.557 ' OG1' ' NH2' ' A' ' 12' ' ' ARG . 1.8 m -135.38 -32.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.828 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -44.45 -22.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.718 ' N ' ' CE2' ' A' ' 70' ' ' TYR . . . 66.54 23.68 10.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.085 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -108.2 -40.11 1.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.576 HG22 ' CE1' ' A' ' 70' ' ' TYR . 0.5 OUTLIER -65.55 -26.8 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.421 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.992 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -48.98 -34.59 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -90.76 -41.34 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.192 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.75 -34.07 21.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.502 ' HA ' ' CE2' ' A' ' 52' ' ' TRP . . . -42.91 -47.12 13.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.694 ' HA ' HD12 ' A' ' 72' ' ' ILE . 18.1 Cg_endo -74.99 6.93 3.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.566 1.824 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -108.45 -35.61 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.627 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -47.06 -68.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.891 ' HB ' ' HE2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -42.97 -47.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.579 ' N ' HD13 ' A' ' 53' ' ' ILE . 1.6 tt0 -35.33 -38.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -100.23 -39.79 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.194 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 2.4 m -39.4 -60.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.984 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.924 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 121.08 20.91 3.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.272 ' NE2' ' CD ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -112.08 160.9 17.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.7 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.583 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -56.41 140.28 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.931 ' O ' ' HB3' ' A' ' 1' ' ' MET . 6.8 tp -76.43 120.89 22.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.197 ' CG1' ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -108.72 178.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.692 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . -137.58 110.0 0.73 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.824 ' O ' ' HD1' ' A' ' 64' ' ' PHE . 53.9 t -163.28 93.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.992 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 1.2 m-85 -139.39 125.92 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -157.99 136.31 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.83 72.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -119.32 -18.86 8.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.83 -44.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.839 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.0 OUTLIER -162.53 119.72 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 110.993 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.576 ' CE1' HG22 ' A' ' 45' ' ' THR . 9.5 p90 -80.64 148.25 30.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.347 ' CB ' ' HA ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -148.97 175.83 10.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.038 HG13 ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.46 158.02 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.057 HG23 ' HB ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -128.56 140.42 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.19 ' CE ' ' HB3' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.94 140.64 34.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.583 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 8.2 tttt -100.81 100.12 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.294 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 14.4 mmtt -39.12 116.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.722 ' N ' ' HA ' ' A' ' 58' ' ' GLN . 14.1 t -140.16 13.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.924 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.17 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.465 0.174 . . . . 0.0 111.05 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.031 ' CG ' HG11 ' A' ' 35' ' ' VAL . 7.2 t0 -120.28 -8.54 9.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.95 ' CG2' HG12 ' A' ' 61' ' ' VAL . 1.2 t 27.37 -16.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.003 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 tttp -99.82 16.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.605 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.93 142.87 28.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 1.048 ' N ' HG23 ' A' ' 35' ' ' VAL . 4.2 p30 -114.97 107.48 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.169 ' CD ' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -158.38 178.06 10.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.899 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -115.52 105.69 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.622 HG22 ' CG2' ' A' ' 38' ' ' VAL . 3.2 mm -148.14 109.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 1.635 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 2.6 p-10 -152.2 133.59 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.576 ' CB ' ' HB3' ' A' ' 19' ' ' PRO . . . -130.98 119.29 21.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.026 ' HD3' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -105.82 105.14 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.722 ' HA2' ' CG ' ' A' ' 42' ' ' ASP . . . 82.44 22.87 57.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.435 ' HB3' ' N ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -92.88 4.89 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.052 ' CD2' ' O ' ' A' ' 14' ' ' SER . 19.2 p90 57.8 -151.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' HD12 ' A' ' 20' ' ' LEU . 1.1 m 32.61 -20.31 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.288 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.0 -171.31 9.21 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.049 -0.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 1.067 ' C ' ' HB3' ' A' ' 14' ' ' SER . . . -40.06 -27.24 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.576 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 18.5 Cg_endo -74.9 -8.01 19.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.661 HD12 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -41.92 -25.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.644 ' HG3' HD22 ' A' ' 20' ' ' LEU . 4.1 mtp -95.13 -22.37 17.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.665 ' N ' ' O ' ' A' ' 19' ' ' PRO . 3.1 mm-40 -46.55 -37.46 8.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.365 ' HB2' ' CB ' ' A' ' 52' ' ' TRP . 84.6 mt -73.86 -46.47 44.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.901 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.8 pt -56.36 -37.07 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -83.34 -13.45 55.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.776 ' HB2' HD12 ' A' ' 9' ' ' ILE . . . -80.05 -48.83 12.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.343 ' CD2' ' HA ' ' A' ' 56' ' ' SER . 4.7 p90 -43.56 -32.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.737 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -73.25 -25.73 60.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 1.15 ' CB ' HH21 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.43 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.204 ' CB ' ' HG3' ' A' ' 76' ' ' LYS . . . -89.44 -155.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.271 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 10.8 mtpt -150.46 160.89 43.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HB ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -50.76 118.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.207 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.26 36.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.96 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -102.78 176.73 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.605 ' HB ' ' CB ' ' A' ' 5' ' ' PRO . 4.9 m -132.81 140.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.169 ' HB ' ' CD ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -150.97 136.0 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.696 ' HB2' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -108.81 134.35 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.622 ' CG2' HG22 ' A' ' 9' ' ' ILE . 5.3 p -121.14 164.15 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.635 ' CD2' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -151.23 163.23 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 1.634 ' HB3' ' CD2' ' A' ' 70' ' ' TYR . 38.0 t -158.08 178.51 10.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 68' ' ' GLY . 3.0 m -134.31 -34.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.459 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -42.11 -49.26 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 94.17 23.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.779 ' O ' ' C ' ' A' ' 16' ' ' CYS . . . -118.61 -22.87 3.56 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.237 HG21 ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -80.87 -26.53 36.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 0.805 . . . . 0.0 110.451 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 1.137 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -46.61 -31.38 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.789 ' O ' ' HD2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -89.32 -43.92 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 1.001 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.53 -26.44 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.299 ' HB2' ' OH ' ' A' ' 70' ' ' TYR . . . -40.64 -48.81 7.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.789 ' HD2' ' O ' ' A' ' 47' ' ' LYS . 18.4 Cg_endo -75.05 2.66 6.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.69 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . -97.85 -33.49 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 1.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.16 -63.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.438 ' HB ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -49.47 -35.19 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.577 ' HB3' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -52.59 -38.54 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -100.08 -23.24 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.343 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.5 m -59.28 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.88 ' O ' ' N ' ' A' ' 78' ' ' LYS . . . 120.95 20.82 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 1.308 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -113.69 161.9 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.571 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -56.26 135.44 53.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.17 ' O ' ' HB3' ' A' ' 1' ' ' MET . 3.1 tp -76.38 109.66 10.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.078 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.439 ' CG2' ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -95.48 179.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 63' ' ' VAL . . . -137.58 114.16 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' A' ' 73' ' ' VAL . 33.7 m -163.81 105.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 1.063 ' HE1' ' CG1' ' A' ' 72' ' ' ILE . 21.2 m-30 -138.85 130.64 27.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 3.1 t0 -157.92 125.52 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.54 ' HB3' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -109.95 72.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.214 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -118.47 -24.08 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 41' ' ' THR . . . -165.82 -45.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.613 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -154.65 122.49 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.634 ' CD2' ' HB3' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.07 176.44 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.348 ' CA ' ' HA ' ' A' ' 39' ' ' TYR . 3.7 pt-20 -177.05 162.56 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.126 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -143.45 158.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.439 ' C ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -118.17 154.54 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.438 ' SD ' ' HB ' ' A' ' 53' ' ' ILE . 4.9 mtm -151.54 133.33 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.571 ' HB3' ' CB ' ' A' ' 59' ' ' GLU . 23.3 tttt -101.47 100.14 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 1.308 ' HE3' ' CG ' ' A' ' 58' ' ' GLN . 5.5 mmpt? -38.16 117.14 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' GLU . 2.0 m -146.3 24.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.386 1.053 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 stop_ save_