data_2ejs_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 2ejs _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 -57.23 12.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 11.2 mtm -41.57 -52.39 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -50.63 -60.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 13.4 t60 -44.79 -58.95 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -43.22 -46.1 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 65.6 mt -67.65 -56.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -38.5 -43.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mt-10 -54.19 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.483 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.1 mtm -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 m-85 -134.8 81.51 46.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -34.96 3.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -40.74 -53.92 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -70.15 141.12 88.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.04 175.26 11.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 17' ' ' ALA . 1.3 t80 -83.74 -54.4 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 5.6 p-80 -41.08 -54.49 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.22 -59.49 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.59 -63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.5 mt -41.57 -66.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.91 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -45.09 -38.4 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 16' ' ' MET . 0.6 OUTLIER -60.4 -44.3 95.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' GLN . 6.8 mm-40 -64.28 -11.61 33.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -103.0 -62.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -65.95 -42.59 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.5 mmm180 61.01 40.17 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.1 m -172.89 103.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -40.11 -29.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.7 mt-10 -66.18 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.64 -21.31 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 5.6 m -71.09 -49.88 39.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ILE . 22.4 p -71.43 -32.06 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -23.57 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' CB ' HD11 ' A' ' 54' ' ' ILE . 5.9 m-20 -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.3 mt -82.85 -56.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.12 -43.34 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.08 -29.03 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 89.23 89.45 1.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.9 -57.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.797 . . . . 0.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 ' CB ' ' A' ' 48' ' ' ASN . 8.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.49 -51.21 61.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.467 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.7 mtm -47.82 -54.87 11.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.75 -63.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.09 -63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -40.97 -45.68 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.483 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 91.0 mt -66.06 -56.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tm0? -38.4 -41.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.07 -58.49 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.459 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 10.4 mtm -68.45 -39.44 81.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 46' ' ' THR . 5.7 m-85 -126.74 79.19 72.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.59 4.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -42.81 -53.71 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 10.1 p -66.23 140.99 97.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.556 ' CD2' HD13 ' A' ' 33' ' ' LEU . 8.5 t80 -62.51 -47.47 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -42.63 -55.15 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.44 -54.97 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -42.23 -63.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 29' ' ' TYR . 17.7 mt -45.09 -68.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -38.93 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 4.5 t70 -44.72 -40.8 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD21 ' CE ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -59.53 -42.66 92.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.2 mm-40 -66.42 -9.89 38.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -105.5 -59.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 p -70.48 -43.21 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 62.03 39.08 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.5 m -172.12 103.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -39.98 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.3 tt0 -64.08 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.74 -19.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 6.7 m -71.39 -50.58 30.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 24' ' ' PHE . 24.2 p -70.21 -32.47 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -25.33 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.4 m-20 -81.18 -35.89 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.4 mt -81.75 -57.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.58 -43.99 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.53 -29.0 21.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.82 92.88 1.01 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -131.86 -53.67 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.452 HD12 ' CB ' ' A' ' 48' ' ' ASN . 9.0 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -57.4 -59.49 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.446 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mtp -37.73 -46.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -52.98 -54.04 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.583 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.0 t60 -51.06 -64.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -41.23 -42.51 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 91.1 mt -65.97 -54.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 2.2 tp-100 -39.69 -46.17 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.583 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 17.4 mt-10 -51.85 -56.9 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 13.5 mtm -69.62 -45.81 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 14.3 m-85 -125.11 78.26 66.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -74.99 -33.47 4.56 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -39.91 -47.43 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.8 p -72.59 140.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.5 Cg_endo -74.95 159.48 41.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' ALA . 3.5 t80 -68.13 -53.31 26.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -40.35 -59.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.28 -59.91 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG2' HG13 ' A' ' 27' ' ' VAL . 40.0 t -40.89 -62.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 mt -40.86 -70.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.5 -65.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 3.2 t70 -43.34 -44.44 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.07 -44.18 82.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.1 mt-30 -64.45 -11.35 32.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -104.35 -61.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 p -67.2 -43.94 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mmm-85 63.18 38.36 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 104.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -39.98 -30.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' SER . 7.5 tt0 -64.41 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.07 -20.81 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 36' ' ' LEU . 7.4 m -71.27 -47.7 55.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.533 HG22 ' CE1' ' A' ' 24' ' ' PHE . 1.8 p -71.7 -27.66 63.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -25.65 17.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' CB ' HD13 ' A' ' 54' ' ' ILE . 11.7 m-20 -81.42 -24.06 37.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -92.68 -31.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -81.49 -12.03 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.08 14.59 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.15 79.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.56 1.163 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -122.28 -61.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.44 -56.92 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.466 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 34.2 mtm -40.09 -52.59 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.2 -60.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -57.26 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.74 -43.89 13.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.47 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 87.3 mt -70.35 -56.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -38.44 -35.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.2 -56.78 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 36.5 mtm -71.34 -42.5 68.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' HG22 ' A' ' 46' ' ' THR . 3.6 m-85 -124.75 78.37 64.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.47 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -40.7 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 5.0 p -64.05 141.9 98.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.95 148.16 35.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CE1' ' HB1' ' A' ' 17' ' ' ALA . 3.7 t80 -57.64 -56.95 15.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -40.55 -61.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 28' ' ' PRO . 16.8 mt -49.97 -59.33 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.7 t -42.74 -62.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' GLN . 19.7 mt -42.5 -63.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.93 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -44.58 -44.47 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -56.11 -41.89 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLN . 4.3 mt-30 -66.61 -9.56 36.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -106.36 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 p -72.77 -43.38 62.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 64.3 38.8 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.46 108.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -42.44 -28.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 42' ' ' VAL . 1.1 tt0 -66.11 -71.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.23 -20.72 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 36' ' ' LEU . 79.4 m -73.99 -50.49 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.501 HG22 ' CE1' ' A' ' 24' ' ' PHE . 11.4 p -65.39 -30.11 70.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -29.05 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.458 ' CB ' HD12 ' A' ' 54' ' ' ILE . 23.9 m-20 -76.67 -25.05 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.6 mt -93.49 -60.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.46 -50.56 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.44 -26.34 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 84.31 105.0 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -145.44 -54.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.458 HD12 ' CB ' ' A' ' 48' ' ' ASN . 8.3 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.75 35.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 20.9 mtm -49.15 -42.71 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.521 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -51.82 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -45.79 -57.04 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -38.82 -52.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 42' ' ' VAL . 42.1 mt -66.14 -54.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -38.13 -42.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.25 -63.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.491 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 22.1 mtm -66.16 -37.39 85.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -128.7 79.91 73.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.45 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.43 -54.0 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 4.1 p -64.15 142.19 98.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.03 156.2 42.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE1' ' HB1' ' A' ' 17' ' ' ALA . 3.2 t80 -67.37 -45.27 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.1 t60 -50.72 -58.87 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.16 -55.37 21.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -44.37 -62.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.9 mt -42.95 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.82 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.6 t70 -45.39 -41.77 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.59 -42.35 87.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.3 mm-40 -67.09 -8.88 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -105.27 -59.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.4 p -70.53 -39.89 73.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 59.22 40.34 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.5 m -173.54 103.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CB ' HD13 ' A' ' 20' ' ' ILE . 3.7 m -38.86 -34.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' SER . 3.1 tt0 -59.18 -69.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -57.54 -18.56 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.453 HG23 ' CD1' ' A' ' 36' ' ' LEU . 10.7 m -72.5 -54.05 10.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ILE . 29.4 p -64.43 -36.05 82.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.66 -24.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.464 ' CB ' HD12 ' A' ' 54' ' ' ILE . 21.6 m-20 -79.43 -39.85 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.9 mt -78.97 -51.08 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -51.35 -24.33 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.0 mt-10 -114.53 21.74 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.48 84.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.5 mmt180 -121.66 -48.43 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 HD12 ' CB ' ' A' ' 48' ' ' ASN . 7.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 1.9 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.87 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 24.0 mtm -47.12 -44.32 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -54.38 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -62.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -46.89 -44.84 20.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 99.4 mt -62.91 -46.87 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.89 -39.7 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.66 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.9 mtm -60.66 -33.35 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.3 m-85 -133.68 81.71 52.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.54 -52.22 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 9.9 p -69.3 140.81 90.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.97 158.91 42.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.16 -54.94 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 9.2 p-80 -41.03 -41.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.94 -60.14 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' HG13 ' A' ' 27' ' ' VAL . 12.2 t -42.63 -57.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 14' ' ' ASN . 14.9 mt -40.56 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -39.58 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 3.5 t70 -44.24 -41.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 16' ' ' MET . 0.7 OUTLIER -57.69 -43.99 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLN . 6.8 mt-30 -65.82 -9.96 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -105.12 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -66.02 -36.42 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 54.31 37.65 27.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.8 m -171.86 102.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.969 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.479 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -39.91 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.4 tt0 -62.11 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.71 -19.79 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.1 m -71.61 -49.93 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.538 HG21 ' CE1' ' A' ' 24' ' ' PHE . 1.9 p -71.82 -31.53 66.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.338 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 11.6 t0 -49.22 -29.67 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -76.64 -34.11 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -80.53 -39.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -70.21 -18.9 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 3.7 pt-20 -118.36 14.39 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.74 89.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.73 -48.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -52.07 -62.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.6 mtp -37.42 -51.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 29' ' ' TYR . . . -44.72 -55.83 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -61.32 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -38.77 -48.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 32.4 mt -63.84 -49.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 2.5 tm0? -38.65 -43.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.56 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 19.3 mtm -65.17 -50.48 65.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 46' ' ' THR . 5.0 m-85 -122.15 77.52 42.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.02 -32.5 5.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -40.63 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.4 p -64.41 143.09 98.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.99 160.91 39.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 17' ' ' ALA . 3.1 t80 -70.43 -52.52 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -40.05 -61.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.614 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.64 -57.72 9.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.8 t -41.0 -61.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -43.4 -67.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.52 -66.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -42.84 -45.32 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -58.22 -44.15 88.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.7 mt-30 -64.16 -11.28 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.1 mt -103.83 -63.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -66.71 -42.85 85.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 62.78 40.1 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.461 ' CB ' HD13 ' A' ' 44' ' ' ILE . 3.4 m -170.25 102.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 16' ' ' MET . 3.9 m -39.58 -31.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 mt-10 -66.56 -56.14 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 41' ' ' SER . 5.1 mt -65.68 -16.23 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 36' ' ' LEU . 1.8 m -71.36 -54.21 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.557 HG21 ' CE1' ' A' ' 24' ' ' PHE . 26.0 p -64.4 -35.07 79.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 2.1 m-20 -48.35 -24.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 45' ' ' THR . 25.2 m-20 -81.19 -38.62 26.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.1 mt -80.81 -56.15 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -39.59 -47.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 2.7 pt-20 -86.49 -26.66 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 86.15 93.72 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -129.64 -52.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.416 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.62 -57.92 10.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 3.1 mtp -39.35 -44.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . . . -54.8 -59.54 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -57.29 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -43.2 -39.32 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 97.5 mt -73.67 -50.76 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -39.02 -40.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.84 -58.79 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.52 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtm -68.36 -48.44 64.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -123.2 77.56 52.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -41.6 -54.07 3.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -64.62 142.64 98.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.98 155.09 42.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 17' ' ' ALA . 1.8 t80 -67.77 -48.95 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -41.46 -61.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.84 -56.46 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.8 t -40.47 -61.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.75 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.87 -65.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.65 -45.02 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.62 -42.63 88.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' GLN . 31.3 mt-30 -66.22 -9.45 32.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.1 mt -105.64 -60.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -69.68 -40.69 76.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER 59.45 41.18 19.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.457 ' CB ' HD11 ' A' ' 44' ' ' ILE . 3.5 m -171.45 102.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -39.69 -31.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.072 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 41' ' ' SER . 29.4 tt0 -65.03 -56.34 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 41' ' ' SER . 5.0 mt -66.36 -17.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -69.77 -51.63 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' LEU . 63.8 p -66.51 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.64 -22.26 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' CB ' HD11 ' A' ' 54' ' ' ILE . 21.0 m-20 -84.18 -30.86 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.2 mt -88.68 -58.04 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.65 -49.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.86 -28.45 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.6 103.24 0.78 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -143.59 -51.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 ' CB ' ' A' ' 48' ' ' ASN . 8.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.75 -57.55 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.469 ' CB ' HD23 ' A' ' 36' ' ' LEU . 1.2 mtp -41.63 -59.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.17 -64.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.48 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -40.58 -48.14 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 83.4 mt -64.98 -52.0 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 1.4 tp60 -38.62 -39.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.12 -63.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtp -59.75 -46.94 87.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 46' ' ' THR . 35.5 m-85 -124.96 77.73 66.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -26.8 10.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.99 -53.94 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 6.8 p -65.04 141.51 98.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.99 143.97 29.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' ' 17' ' ' ALA . 13.4 t80 -56.34 -53.79 53.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -41.26 -52.61 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.36 -54.55 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -42.1 -64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 29' ' ' TYR . 14.4 mt -40.6 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.95 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.438 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 6.1 t70 -43.96 -42.89 6.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -57.43 -43.49 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' GLN . 16.1 mt-30 -64.91 -10.7 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.81 -62.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 p -66.58 -39.88 88.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 58.65 41.11 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.47 ' CB ' HD11 ' A' ' 44' ' ' ILE . 2.7 m -172.79 99.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -38.91 -31.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -64.94 -56.95 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.47 HD11 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.07 -17.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 36' ' ' LEU . 1.4 m -68.92 -50.18 51.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 24' ' ' PHE . 20.0 p -67.85 -30.52 69.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -22.1 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.0 m-20 -84.74 -45.36 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.11 -50.65 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.96 -24.91 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.8 mt-10 -118.5 22.68 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.79 82.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -113.45 -47.42 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -55.78 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.467 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 29.4 mtm -41.65 -51.51 4.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.23 -60.31 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.33 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.563 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -39.24 -48.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 44.5 mt -65.28 -55.56 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.82 -48.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.92 -61.81 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.7 mtm -61.19 -40.32 93.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 46' ' ' THR . 4.2 m-85 -128.5 79.55 74.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -34.71 3.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -42.4 -38.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.8 p -81.86 141.13 47.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.513 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -75.01 156.25 42.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.41 -50.11 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 16.5 p-80 -41.38 -57.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 mt -57.76 -59.51 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -40.49 -61.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -41.37 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.47 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.03 -39.91 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.6 OUTLIER -58.37 -44.52 88.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.6 mt-30 -63.96 -11.66 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.32 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.6 p -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.07 39.3 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 43' ' ' GLU . 8.4 t -168.6 103.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.4 m -42.24 -28.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.6 tt0 -69.85 -56.33 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.71 -23.62 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 4.2 m -69.25 -48.67 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 24' ' ' PHE . 2.8 p -72.17 -30.55 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -23.94 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.0 m-20 -83.01 -31.48 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.8 mt -84.13 -45.04 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.45 -15.72 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.7 12.55 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.94 76.91 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.4 mtm180 -116.28 -50.99 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.431 HD13 ' CB ' ' A' ' 48' ' ' ASN . 10.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -59.44 -62.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.2 mtp -37.4 -52.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.72 -53.29 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -42.34 -43.9 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 93.6 mt -66.54 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.423 HE22 ' N ' ' A' ' 29' ' ' TYR . 3.2 tp60 -38.35 -42.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.17 -53.91 51.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtm -73.24 -35.55 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 24' ' ' PHE . 6.7 m-85 -128.95 78.41 76.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -33.42 4.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.7 pt20 -45.65 -39.61 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 6.2 p -80.81 141.18 51.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.04 151.28 39.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 17' ' ' ALA . 2.5 t80 -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -39.98 -56.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -56.22 -57.4 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' HG12 ' A' ' 27' ' ' VAL . 51.8 t -41.87 -63.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.1 mt -41.87 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -38.88 -68.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -44.15 -43.77 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.73 -42.51 83.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLN . 22.8 mt-30 -66.53 -9.51 35.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -106.15 -59.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 p -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.66 39.03 18.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.6 m -173.45 103.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.1 m -39.09 -34.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.88 -67.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.34 -18.64 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 36' ' ' LEU . 8.3 m -72.94 -55.05 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ILE . 33.0 p -61.54 -36.83 81.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -46.6 -27.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 37.6 m-20 -77.13 -41.35 42.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.7 mt -77.19 -54.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -46.37 -58.46 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.63 -29.12 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.83 87.26 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.94 -64.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 48' ' ' ASN . 9.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.35 -56.7 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.464 ' CE ' HD21 ' A' ' 36' ' ' LEU . 4.8 mtm -46.83 -57.93 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.561 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -53.23 -57.84 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -41.36 -51.62 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -52.64 -41.38 63.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 13.4 mt -74.37 -49.4 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -39.88 -39.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -47.46 77.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.513 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 mtm -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.0 m-85 -136.8 80.5 36.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.29 3.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -42.96 -53.93 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -64.21 142.72 98.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.96 142.35 27.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 17' ' ' ALA . 9.0 t80 -62.43 -52.8 62.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.591 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 15.0 p-80 -39.6 -57.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.547 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 5.9 mt -59.01 -57.99 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -41.21 -63.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 29' ' ' TYR . 18.1 mt -40.1 -66.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -70.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -41.75 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 45' ' ' THR . 2.9 tp -49.92 -67.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -41.31 -28.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.73 -64.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.3 p -51.8 -47.19 64.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 65.55 29.55 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 13.6 m -165.92 107.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.8 m -39.06 -34.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -66.95 -69.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 5.7 mt -47.38 -24.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 36' ' ' LEU . 4.3 m -69.93 -52.86 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ILE . 28.2 p -65.12 -34.96 79.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -26.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 45' ' ' THR . 32.9 m-20 -77.67 -38.99 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.8 mt -80.94 -57.7 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -41.42 -59.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.54 -28.76 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.94 80.26 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -120.2 -58.74 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 48' ' ' ASN . 7.4 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.41 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.464 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.7 mtm -45.89 -60.21 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -40.18 -60.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -40.06 -64.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.565 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.07 -42.81 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 87.9 mt -68.36 -60.91 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.8 -42.11 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 4.5 mm-40 -57.72 -51.16 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.557 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 11.2 mtm -73.14 -45.93 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 46' ' ' THR . 3.1 m-85 -123.43 77.38 54.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.53 5.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -40.73 -42.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -78.69 143.15 62.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.05 148.48 35.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 2.7 t80 -59.99 -47.25 86.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -43.62 -55.91 4.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.651 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.43 -59.1 5.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.2 t -41.75 -64.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 29' ' ' TYR . 10.7 mt -41.39 -68.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -39.0 -68.3 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 2.2 t70 -43.13 -45.31 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 16' ' ' MET . 0.3 OUTLIER -55.09 -44.73 75.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' GLN . 2.4 mt-30 -64.35 -11.03 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -104.65 -63.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.54 39.91 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.3 m -173.42 102.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.48 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.1 m -39.5 -30.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.9 tt0 -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -59.55 -21.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 7.6 m -71.56 -48.18 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.568 HG21 ' CE1' ' A' ' 24' ' ' PHE . 2.8 p -71.19 -28.86 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -23.98 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 45' ' ' THR . 12.3 m-20 -82.98 -26.5 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.9 mt -89.85 -36.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -72.76 -12.94 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -119.24 13.54 12.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 81.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.85 -54.18 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.763 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.452 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.33 36.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 11.7 mtm -43.19 -52.24 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' ' CE1' ' A' ' 29' ' ' TYR . . . -50.0 -57.05 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -45.58 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -45.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 78.4 mt -69.05 -53.53 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.598 ' OE1' ' CD2' ' A' ' 29' ' ' TYR . 4.3 tp60 -38.32 -40.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.04 -64.0 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 mtp -57.8 -49.39 76.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 46' ' ' THR . 52.3 m-85 -123.44 77.97 54.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.419 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.4 Cg_endo -74.97 -30.92 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -41.02 -52.88 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -67.36 142.83 96.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.5 Cg_endo -74.95 148.91 36.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.598 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 1.1 t80 -63.06 -53.05 59.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -40.12 -51.07 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.9 -54.63 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -41.23 -61.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 mt -44.25 -67.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.44 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 10.8 t70 -43.87 -43.48 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 HD21 ' CE ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -57.1 -43.29 82.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLN . 2.4 mm-40 -65.29 -10.56 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -105.25 -61.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 p -66.79 -38.42 86.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 55.81 42.36 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 44' ' ' ILE . 3.0 m -173.12 100.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -38.94 -31.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.9 mt-10 -65.41 -56.77 10.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.03 -17.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.4 m -70.29 -52.71 20.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 24' ' ' PHE . 34.8 p -67.09 -34.41 77.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -24.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' ARG . 8.8 m-20 -82.54 -38.98 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.5 mt -77.48 -51.74 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -52.02 -21.77 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.58 21.09 13.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.28 83.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ASN . 2.3 mtt-85 -120.68 -47.68 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.77 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 2.0 mtp -39.61 -55.13 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -51.58 -63.03 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.08 -62.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -40.83 -48.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 63.5 mt -67.3 -50.0 66.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.95 -41.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.05 -63.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.417 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 72.6 mtm -60.29 -46.48 89.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 11.8 m-85 -125.45 77.11 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.01 -30.13 7.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -42.65 -39.54 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 4.9 p -78.79 141.91 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.0 147.8 34.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 17' ' ' ALA . 24.0 t80 -62.48 -51.95 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -42.24 -57.48 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 28' ' ' PRO . 17.8 mt -57.8 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.46 -61.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' GLN . 15.1 mt -41.34 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.89 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 -45.32 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -55.09 -46.07 75.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' GLN . 17.1 mm-40 -62.05 -13.11 23.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.09 -63.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 p -62.24 -41.04 98.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.87 42.57 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 8.5 t -171.81 97.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 20' ' ' ILE . 4.2 m -39.14 -30.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.0 tt0 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' SER . 5.9 mt -68.3 -19.52 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.3 m -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.483 HG23 ' CE1' ' A' ' 24' ' ' PHE . 22.1 p -67.28 -30.72 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -22.0 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.3 m-20 -84.76 -44.77 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.74 -50.99 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -51.12 -27.53 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -110.35 21.3 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.02 78.84 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 4.1 mmm180 -113.85 -46.46 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.31 -61.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.456 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.5 mtp -41.95 -60.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.49 -58.37 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -60.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.35 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 75.0 mt -65.95 -59.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.88 -44.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.55 -59.18 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -69.33 -36.89 77.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 46' ' ' THR . 11.4 m-85 -124.77 76.35 65.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.9 pt20 -44.06 -39.05 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 9.0 p -80.69 140.93 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.97 141.26 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.96 -50.41 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -40.06 -68.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.627 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.98 -58.01 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 t -41.97 -60.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 18.9 mt -40.6 -70.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.466 ' OE1' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.32 -69.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.7 t70 -43.0 -38.5 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.9 OUTLIER -58.44 -49.79 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' GLN . 2.6 mm-40 -61.99 -12.96 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' OE1' ' A' ' 34' ' ' GLN . 2.1 mt -97.41 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 44.7 p -62.96 -39.73 95.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 60.78 38.59 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 106.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.8 m -41.7 -28.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -69.21 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 5.0 mt -59.17 -25.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -68.51 -51.05 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.55 HG21 ' CE1' ' A' ' 24' ' ' PHE . 19.6 p -69.41 -32.48 71.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -25.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.8 m-20 -81.93 -36.4 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.1 mt -80.78 -57.15 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.14 -53.41 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -28.7 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.49 93.13 0.89 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -132.38 -57.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -53.53 -61.43 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 2.2 mtp -37.56 -48.81 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . . . -50.47 -60.43 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -60.14 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -42.56 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 86.5 mt -70.93 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -38.65 -35.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.65 -51.15 69.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . 25.6 mtm -81.27 -24.97 36.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.4 m-85 -134.18 78.57 58.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -34.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -43.01 -50.53 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.3 p -72.66 140.61 81.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.05 155.52 42.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 17' ' ' ALA . 3.5 t80 -65.51 -47.07 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -44.41 -59.13 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.602 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.08 -59.03 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 t -41.6 -61.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.48 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.89 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 10.1 t70 -42.23 -46.69 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD23 ' CE ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -57.67 -44.84 86.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLN . 8.0 mm-40 -63.73 -11.2 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -104.88 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -66.73 -42.44 86.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.0 mmm180 63.44 39.14 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.4 m -170.08 103.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.1 m -40.18 -33.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' N ' HG21 ' A' ' 42' ' ' VAL . 9.7 tt0 -61.64 -66.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.61 -14.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.463 HG21 ' CD1' ' A' ' 36' ' ' LEU . 60.6 m -75.66 -54.13 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 50' ' ' LEU . 30.1 p -63.83 -34.8 78.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.35 -25.7 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' HD11 ' A' ' 54' ' ' ILE . 22.9 m-20 -78.69 -35.45 45.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.5 mt -84.64 -57.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -40.03 -57.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.05 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.36 102.29 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -141.26 -54.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 HD11 ' CB ' ' A' ' 48' ' ' ASN . 8.5 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.445 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.3 mtp -37.45 -58.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.87 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -38.71 -43.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 11.4 mt -70.96 -50.12 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -42.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 7.5 mtm -60.69 -41.9 96.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 4.2 m-85 -126.8 78.47 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.72 3.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 7.5 pt20 -41.36 -38.97 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.2 p -80.59 141.24 52.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.545 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -74.98 159.37 41.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -72.41 -51.93 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 31' ' ' LEU . 23.9 p-80 -39.99 -56.31 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 9.5 mt -59.93 -55.6 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 t -41.27 -64.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -44.55 -65.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.51 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -45.02 -37.8 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.66 -43.41 93.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -65.64 -9.88 31.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -62.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -66.5 -36.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 6.1 mmm180 51.64 42.04 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.463 ' CB ' HD13 ' A' ' 44' ' ' ILE . 3.1 m -173.42 98.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 16' ' ' MET . 4.1 m -38.83 -30.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.9 tt0 -63.77 -54.59 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 HD13 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -70.83 -15.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.2 m -71.49 -54.61 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 24' ' ' PHE . 18.0 p -67.35 -35.49 79.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -46.3 -25.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 4.2 m-20 -81.99 -41.26 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.3 mt -73.53 -45.3 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.34 -17.1 52.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.02 17.73 13.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.23 78.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.69 -50.41 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.04 -57.53 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.416 ' CB ' HD22 ' A' ' 36' ' ' LEU . 2.6 mtp -44.82 -47.68 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -54.84 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -47.93 -60.14 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -42.24 -48.08 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.491 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 38.9 mt -62.04 -46.03 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.52 -50.33 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.14 -31.61 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -88.67 -47.7 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 7.2 m-85 -126.14 71.88 70.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.39 3.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -44.41 -39.55 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.17 165.35 54.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 154.9 43.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CE2' ' CD1' ' A' ' 33' ' ' LEU . 27.1 t80 -82.67 -43.65 16.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -49.81 -64.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.583 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -44.81 -59.64 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.36 -57.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 ' CD1' ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -50.23 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -43.84 -59.7 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -44.62 -43.21 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -57.69 -41.71 82.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' GLN . 1.9 mt-30 -67.0 -9.68 41.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -106.16 -57.48 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -72.08 -42.68 65.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.1 mpp_? 61.88 40.04 13.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' GLU . 8.5 t -170.93 105.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.491 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.5 m -43.53 -27.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.8 tt0 -70.81 -58.4 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.1 -21.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 36' ' ' LEU . 7.7 m -70.4 -49.51 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' LEU . 23.8 p -71.67 -32.83 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -28.83 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.7 m-20 -76.88 -37.62 55.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.1 mt -79.66 -58.57 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -39.85 -54.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -29.03 33.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.25 112.99 2.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -151.67 -54.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.97 74.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.462 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 11.9 mtm -50.18 -58.45 5.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.33 -57.37 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.6 t60 -43.69 -63.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.575 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -44.01 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 92.6 mt -67.26 -53.71 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' PRO . 1.1 tm0? -38.7 -49.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 14.4 mt-10 -49.39 -56.68 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 5.2 mtm -69.64 -37.4 76.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -131.41 80.76 66.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.5 Cg_endo -74.95 -34.04 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -39.81 -53.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -67.14 141.19 96.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.03 155.31 42.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -55.59 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.53 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 t -40.93 -63.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.1 mt -40.97 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.76 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.234 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.04 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.45 -43.85 88.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' GLN . 10.5 mm-40 -64.97 -10.65 30.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.447 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 54.9 p -65.58 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 5.9 mmm180 54.52 40.24 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLU . 8.7 t -169.17 102.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.0 m -39.72 -30.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 tt0 -68.71 -54.51 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 6.5 mt -65.65 -18.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.532 ' CG2' ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -70.52 -55.06 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.459 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.483 HG23 ' CE1' ' A' ' 24' ' ' PHE . 61.5 p -66.44 -37.03 84.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -26.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.6 m-20 -80.73 -43.8 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.4 mt -72.27 -51.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -51.19 -22.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.22 21.4 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.57 80.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.586 1.179 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.47 -39.07 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 p -162.12 162.56 28.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -168.94 105.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.09 127.37 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.24 101.33 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.31 170.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.49 96.17 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.75 -60.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -169.74 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.6 m120 58.79 95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m -123.81 92.96 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.74 -41.49 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 36' ' ' LEU . 1.4 mt -55.2 -49.92 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -40.5 -51.48 2.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 -57.23 12.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 11.2 mtm -41.57 -52.39 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -50.63 -60.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 13.4 t60 -44.79 -58.95 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -43.22 -46.1 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 65.6 mt -67.65 -56.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -38.5 -43.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mt-10 -54.19 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.483 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.1 mtm -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 m-85 -134.8 81.51 46.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -34.96 3.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -40.74 -53.92 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -70.15 141.12 88.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.04 175.26 11.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 17' ' ' ALA . 1.3 t80 -83.74 -54.4 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 5.6 p-80 -41.08 -54.49 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.22 -59.49 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.59 -63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.5 mt -41.57 -66.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.91 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -45.09 -38.4 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 16' ' ' MET . 0.6 OUTLIER -60.4 -44.3 95.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' GLN . 6.8 mm-40 -64.28 -11.61 33.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -103.0 -62.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -65.95 -42.59 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.5 mmm180 61.01 40.17 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.1 m -172.89 103.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -40.11 -29.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.7 mt-10 -66.18 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.64 -21.31 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 5.6 m -71.09 -49.88 39.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ILE . 22.4 p -71.43 -32.06 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -23.57 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' CB ' HD11 ' A' ' 54' ' ' ILE . 5.9 m-20 -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.3 mt -82.85 -56.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.12 -43.34 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.08 -29.03 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 89.23 89.45 1.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.9 -57.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.797 . . . . 0.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 ' CB ' ' A' ' 48' ' ' ASN . 8.6 mt -69.31 95.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -113.43 105.59 13.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.2 t -127.91 91.12 45.86 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.04 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.94 138.6 54.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 m 47.78 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.13 81.31 0.2 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -75.97 124.98 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -157.3 84.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.52 170.25 24.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.12 -63.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.4 p -72.28 146.36 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 61.38 153.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.91 89.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -82.87 -60.15 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 36' ' ' LEU . 1.8 mt -46.28 -54.92 8.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.57 -39.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.49 -51.21 61.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.467 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.7 mtm -47.82 -54.87 11.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.75 -63.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.09 -63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -40.97 -45.68 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.483 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 91.0 mt -66.06 -56.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tm0? -38.4 -41.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.07 -58.49 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.459 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 10.4 mtm -68.45 -39.44 81.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 46' ' ' THR . 5.7 m-85 -126.74 79.19 72.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.59 4.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -42.81 -53.71 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 10.1 p -66.23 140.99 97.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.556 ' CD2' HD13 ' A' ' 33' ' ' LEU . 8.5 t80 -62.51 -47.47 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -42.63 -55.15 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.44 -54.97 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -42.23 -63.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 29' ' ' TYR . 17.7 mt -45.09 -68.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -38.93 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 4.5 t70 -44.72 -40.8 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -59.53 -42.66 92.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.2 mm-40 -66.42 -9.89 38.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -105.5 -59.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 p -70.48 -43.21 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 62.03 39.08 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.5 m -172.12 103.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -39.98 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.3 tt0 -64.08 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.74 -19.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 6.7 m -71.39 -50.58 30.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 24' ' ' PHE . 24.2 p -70.21 -32.47 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -25.33 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.4 m-20 -81.18 -35.89 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.4 mt -81.75 -57.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.58 -43.99 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.53 -29.0 21.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.82 92.88 1.01 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -131.86 -53.67 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.452 HD12 ' CB ' ' A' ' 48' ' ' ASN . 9.0 mt -70.46 94.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -116.67 132.91 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.58 89.99 29.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.88 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.971 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -141.65 118.78 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -122.12 87.07 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.45 -129.19 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 62.89 114.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 m -40.52 108.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.18 -172.45 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.87 157.08 43.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -53.64 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -50.4 145.07 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -169.37 106.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -81.59 -29.74 33.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 36' ' ' LEU . 1.5 mt -65.29 -17.05 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -51.36 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -57.4 -59.49 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.446 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mtp -37.73 -46.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -52.98 -54.04 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.583 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.0 t60 -51.06 -64.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -41.23 -42.51 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 91.1 mt -65.97 -54.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 2.2 tp-100 -39.69 -46.17 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.583 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 17.4 mt-10 -51.85 -56.9 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 13.5 mtm -69.62 -45.81 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 14.3 m-85 -125.11 78.26 66.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -74.99 -33.47 4.56 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -39.91 -47.43 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.8 p -72.59 140.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.5 Cg_endo -74.95 159.48 41.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' ALA . 3.5 t80 -68.13 -53.31 26.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -40.35 -59.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.28 -59.91 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG2' HG13 ' A' ' 27' ' ' VAL . 40.0 t -40.89 -62.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 mt -40.86 -70.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.5 -65.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 3.2 t70 -43.34 -44.44 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.07 -44.18 82.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.1 mt-30 -64.45 -11.35 32.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -104.35 -61.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 p -67.2 -43.94 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mmm-85 63.18 38.36 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 104.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -39.98 -30.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' SER . 7.5 tt0 -64.41 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.07 -20.81 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 36' ' ' LEU . 7.4 m -71.27 -47.7 55.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.533 HG22 ' CE1' ' A' ' 24' ' ' PHE . 1.8 p -71.7 -27.66 63.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -25.65 17.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' CB ' HD13 ' A' ' 54' ' ' ILE . 11.7 m-20 -81.42 -24.06 37.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -92.68 -31.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -81.49 -12.03 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.08 14.59 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.15 79.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.56 1.163 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -122.28 -61.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.4 mt -78.71 94.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.66 132.85 46.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.93 91.55 26.95 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 62.32 5.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -114.02 102.7 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.45 108.87 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 -142.18 8.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.09 155.59 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -58.81 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.05 148.89 17.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.13 70.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -78.45 90.03 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 60.43 97.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -132.87 83.06 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -66.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 26.4 mt -41.04 -44.78 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -58.12 -62.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.44 -56.92 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.484 ' CE ' ' CD2' ' A' ' 13' ' ' LEU . 34.2 mtm -40.09 -52.59 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.2 -60.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -57.26 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.74 -43.89 13.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.47 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 87.3 mt -70.35 -56.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -38.44 -35.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.2 -56.78 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 36.5 mtm -71.34 -42.5 68.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' HG22 ' A' ' 46' ' ' THR . 3.6 m-85 -124.75 78.37 64.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.47 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -40.7 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 5.0 p -64.05 141.9 98.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.95 148.16 35.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CE1' ' HB1' ' A' ' 17' ' ' ALA . 3.7 t80 -57.64 -56.95 15.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -40.55 -61.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 28' ' ' PRO . 16.8 mt -49.97 -59.33 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.7 t -42.74 -62.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' GLN . 19.7 mt -42.5 -63.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.93 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -44.58 -44.47 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -56.11 -41.89 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLN . 4.3 mt-30 -66.61 -9.56 36.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -106.36 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 p -72.77 -43.38 62.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 64.3 38.8 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.46 108.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -42.44 -28.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 42' ' ' VAL . 1.1 tt0 -66.11 -71.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.23 -20.72 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 36' ' ' LEU . 79.4 m -73.99 -50.49 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.501 HG22 ' CE1' ' A' ' 24' ' ' PHE . 11.4 p -65.39 -30.11 70.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -29.05 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' CB ' HD12 ' A' ' 54' ' ' ILE . 23.9 m-20 -76.67 -25.05 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.6 mt -93.49 -60.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.46 -50.56 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.44 -26.34 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 84.31 105.0 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -145.44 -54.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.458 HD12 ' CB ' ' A' ' 48' ' ' ASN . 8.3 mt -73.16 94.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.85 125.52 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.8 t -124.2 89.46 51.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.33 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -152.8 140.41 19.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -72.17 156.25 39.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.65 69.96 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.18 91.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.785 . . . . 0.0 109.988 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -142.2 126.51 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.49 85.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.72 166.29 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.1 m -77.3 82.39 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.56 -63.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.2 m 48.66 89.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.79 -34.56 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -62.07 -54.69 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.8 -36.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.75 35.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.472 ' CE ' HD22 ' A' ' 13' ' ' LEU . 20.9 mtm -49.15 -42.71 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.521 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -51.82 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -45.79 -57.04 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -38.82 -52.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 42' ' ' VAL . 42.1 mt -66.14 -54.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -38.13 -42.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.25 -63.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.491 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 22.1 mtm -66.16 -37.39 85.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -128.7 79.91 73.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.45 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.43 -54.0 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 4.1 p -64.15 142.19 98.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.03 156.2 42.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE1' ' HB1' ' A' ' 17' ' ' ALA . 3.2 t80 -67.37 -45.27 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.1 t60 -50.72 -58.87 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.16 -55.37 21.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -44.37 -62.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.9 mt -42.95 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.82 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.6 t70 -45.39 -41.77 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -58.59 -42.35 87.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.3 mm-40 -67.09 -8.88 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -105.27 -59.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.4 p -70.53 -39.89 73.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 59.22 40.34 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.5 m -173.54 103.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CB ' HD13 ' A' ' 20' ' ' ILE . 3.7 m -38.86 -34.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' SER . 3.1 tt0 -59.18 -69.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -57.54 -18.56 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.453 HG23 ' CD1' ' A' ' 36' ' ' LEU . 10.7 m -72.5 -54.05 10.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ILE . 29.4 p -64.43 -36.05 82.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.66 -24.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.464 ' CB ' HD12 ' A' ' 54' ' ' ILE . 21.6 m-20 -79.43 -39.85 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.9 mt -78.97 -51.08 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -51.35 -24.33 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.0 mt-10 -114.53 21.74 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.48 84.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.5 mmt180 -121.66 -48.43 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 HD12 ' CB ' ' A' ' 48' ' ' ASN . 7.4 mt -85.65 97.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.41 114.18 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.12 91.24 49.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 84.5 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.68 166.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -161.12 -58.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.01 -141.82 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 66.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.988 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.9 165.77 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.71 -108.35 2.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.35 163.13 21.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 0.727 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -168.92 158.98 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.39 139.19 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 97.74 5.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -87.41 -66.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -41.72 -43.4 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 1.9 t-20 -48.27 -47.16 36.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' GLN . . . -63.39 -51.87 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 24.0 mtm -47.12 -44.32 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -54.38 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -62.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -46.89 -44.84 20.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 99.4 mt -62.91 -46.87 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.89 -39.7 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.66 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.9 mtm -60.66 -33.35 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.3 m-85 -133.68 81.71 52.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.54 -52.22 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 9.9 p -69.3 140.81 90.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.97 158.91 42.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.16 -54.94 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 9.2 p-80 -41.03 -41.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.94 -60.14 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' HG13 ' A' ' 27' ' ' VAL . 12.2 t -42.63 -57.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 14' ' ' ASN . 14.9 mt -40.56 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -39.58 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 3.5 t70 -44.24 -41.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 16' ' ' MET . 0.7 OUTLIER -57.69 -43.99 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLN . 6.8 mt-30 -65.82 -9.96 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -105.12 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -66.02 -36.42 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 54.31 37.65 27.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.8 m -171.86 102.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.969 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.479 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.9 m -39.91 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.4 tt0 -62.11 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.71 -19.79 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.1 m -71.61 -49.93 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.538 HG21 ' CE1' ' A' ' 24' ' ' PHE . 1.9 p -71.82 -31.53 66.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.338 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 11.6 t0 -49.22 -29.67 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -76.64 -34.11 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -80.53 -39.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -70.21 -18.9 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 3.7 pt-20 -118.36 14.39 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.74 89.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.73 -48.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -85.51 99.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -90.24 129.4 36.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.11 155.63 12.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 55.11 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.72 90.19 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.75 98.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.55 148.92 14.65 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.01 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -106.72 168.9 8.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.5 76.06 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.83 159.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.27 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -78.5 141.34 38.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -57.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 52.7 p -124.97 80.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -54.99 -57.56 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 36' ' ' LEU . 1.2 mt -43.67 -30.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 11' ' ' SER . 6.1 t30 -56.49 -55.83 28.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -52.07 -62.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.6 mtp -37.42 -51.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 29' ' ' TYR . . . -44.72 -55.83 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -61.32 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -38.77 -48.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 32.4 mt -63.84 -49.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 2.5 tm0? -38.65 -43.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.56 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 19.3 mtm -65.17 -50.48 65.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 46' ' ' THR . 5.0 m-85 -122.15 77.52 42.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.02 -32.5 5.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -40.63 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.4 p -64.41 143.09 98.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.99 160.91 39.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 17' ' ' ALA . 3.1 t80 -70.43 -52.52 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -40.05 -61.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.614 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.64 -57.72 9.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.8 t -41.0 -61.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -43.4 -67.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.52 -66.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -42.84 -45.32 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -58.22 -44.15 88.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.7 mt-30 -64.16 -11.28 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.1 mt -103.83 -63.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -66.71 -42.85 85.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 62.78 40.1 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.461 ' CB ' HD13 ' A' ' 44' ' ' ILE . 3.4 m -170.25 102.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 16' ' ' MET . 3.9 m -39.58 -31.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 mt-10 -66.56 -56.14 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 41' ' ' SER . 5.1 mt -65.68 -16.23 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 36' ' ' LEU . 1.8 m -71.36 -54.21 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.557 HG21 ' CE1' ' A' ' 24' ' ' PHE . 26.0 p -64.4 -35.07 79.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 2.1 m-20 -48.35 -24.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 45' ' ' THR . 25.2 m-20 -81.19 -38.62 26.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.1 mt -80.81 -56.15 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -39.59 -47.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 2.7 pt-20 -86.49 -26.66 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 86.15 93.72 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -129.64 -52.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.416 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.0 mt -70.17 96.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.19 81.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -129.44 90.84 43.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 65.17 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.3 135.06 57.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.95 88.77 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.42 63.87 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -133.86 112.52 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m 57.85 162.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.17 -128.64 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.0 85.42 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -79.58 94.58 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 59.8 m-80 -77.93 -60.0 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.25 -57.41 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -65.13 -69.78 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.2 mt -53.02 -26.25 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -60.27 -51.96 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.62 -57.92 10.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 3.1 mtp -39.35 -44.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . . . -54.8 -59.54 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -57.29 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -43.2 -39.32 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 97.5 mt -73.67 -50.76 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -39.02 -40.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.84 -58.79 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.52 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtm -68.36 -48.44 64.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -123.2 77.56 52.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -41.6 -54.07 3.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -64.62 142.64 98.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.98 155.09 42.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 17' ' ' ALA . 1.8 t80 -67.77 -48.95 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -41.46 -61.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.84 -56.46 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.8 t -40.47 -61.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.75 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.87 -65.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.65 -45.02 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.62 -42.63 88.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' GLN . 31.3 mt-30 -66.22 -9.45 32.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.1 mt -105.64 -60.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -69.68 -40.69 76.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER 59.45 41.18 19.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.457 ' CB ' HD11 ' A' ' 44' ' ' ILE . 3.5 m -171.45 102.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -39.69 -31.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.072 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 41' ' ' SER . 29.4 tt0 -65.03 -56.34 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 41' ' ' SER . 5.0 mt -66.36 -17.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -69.77 -51.63 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' LEU . 63.8 p -66.51 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.64 -22.26 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' CB ' HD11 ' A' ' 54' ' ' ILE . 21.0 m-20 -84.18 -30.86 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.2 mt -88.68 -58.04 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.65 -49.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.86 -28.45 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.6 103.24 0.78 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -143.59 -51.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 ' CB ' ' A' ' 48' ' ' ASN . 8.3 mt -75.04 97.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.67 114.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 77.7 t -70.88 142.94 88.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p 55.37 169.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 179.74 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.67 -127.85 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.0 79.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -151.27 135.87 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.89 -75.21 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.82 80.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.342 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -170.14 -53.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 159.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -80.3 93.23 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -62.88 -44.53 95.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 11.2 mt -43.09 -41.04 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.75 -57.55 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.469 ' CB ' HD23 ' A' ' 36' ' ' LEU . 1.2 mtp -41.63 -59.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.17 -64.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.48 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -40.58 -48.14 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 83.4 mt -64.98 -52.0 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 1.4 tp60 -38.62 -39.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.12 -63.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtp -59.75 -46.94 87.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 46' ' ' THR . 35.5 m-85 -124.96 77.73 66.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -26.8 10.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.99 -53.94 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 6.8 p -65.04 141.51 98.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.99 143.97 29.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' ' 17' ' ' ALA . 13.4 t80 -56.34 -53.79 53.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -41.26 -52.61 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.36 -54.55 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -42.1 -64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 29' ' ' TYR . 14.4 mt -40.6 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.95 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 6.1 t70 -43.96 -42.89 6.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -57.43 -43.49 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 16.1 mt-30 -64.91 -10.7 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.81 -62.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 p -66.58 -39.88 88.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 58.65 41.11 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.47 ' CB ' HD11 ' A' ' 44' ' ' ILE . 2.7 m -172.79 99.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -38.91 -31.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -64.94 -56.95 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.47 HD11 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.07 -17.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 36' ' ' LEU . 1.4 m -68.92 -50.18 51.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 24' ' ' PHE . 20.0 p -67.85 -30.52 69.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -22.1 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.0 m-20 -84.74 -45.36 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.11 -50.65 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.96 -24.91 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.8 mt-10 -118.5 22.68 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.79 82.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -113.45 -47.42 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.0 mt -84.55 99.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -80.08 115.82 19.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -40.26 147.59 0.36 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.96 76.21 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -43.65 162.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.054 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 58.54 168.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.12 -133.38 1.66 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t 61.74 80.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -138.3 88.69 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.38 73.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.66 72.71 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 81.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.65 100.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -116.22 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -97.01 -55.99 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.568 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 79.4 mt -44.1 -41.96 5.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -56.62 -50.16 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -55.78 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.568 ' CE ' ' CD2' ' A' ' 13' ' ' LEU . 29.4 mtm -41.65 -51.51 4.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.23 -60.31 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.33 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.563 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -39.24 -48.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 44.5 mt -65.28 -55.56 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.82 -48.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.92 -61.81 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.7 mtm -61.19 -40.32 93.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 46' ' ' THR . 4.2 m-85 -128.5 79.55 74.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -34.71 3.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -42.4 -38.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.8 p -81.86 141.13 47.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.513 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -75.01 156.25 42.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.41 -50.11 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 16.5 p-80 -41.38 -57.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 mt -57.76 -59.51 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -40.49 -61.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -41.37 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.47 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.03 -39.91 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.6 OUTLIER -58.37 -44.52 88.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.6 mt-30 -63.96 -11.66 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.32 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.6 p -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.07 39.3 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 43' ' ' GLU . 8.4 t -168.6 103.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.4 m -42.24 -28.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.6 tt0 -69.85 -56.33 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.71 -23.62 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 4.2 m -69.25 -48.67 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 24' ' ' PHE . 2.8 p -72.17 -30.55 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -23.94 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.0 m-20 -83.01 -31.48 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.8 mt -84.13 -45.04 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.45 -15.72 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.7 12.55 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.94 76.91 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.4 mtm180 -116.28 -50.99 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.431 HD13 ' CB ' ' A' ' 48' ' ' ASN . 10.0 mt -77.67 93.6 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.03 141.7 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 31' ' ' LEU . 54.2 t -123.6 90.77 50.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.09 6.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -48.41 134.34 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.43 87.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.29 -115.44 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m 57.81 104.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.765 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.8 150.82 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.032 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.66 86.77 1.04 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -113.44 150.14 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.76 143.08 29.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -158.39 96.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mt-30 -77.11 -56.64 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.1 mt -43.5 -32.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.14 -48.62 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' GLN . . . -59.44 -62.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.2 mtp -37.4 -52.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.72 -53.29 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -42.34 -43.9 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 93.6 mt -66.54 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.423 HE22 ' N ' ' A' ' 29' ' ' TYR . 3.2 tp60 -38.35 -42.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.17 -53.91 51.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtm -73.24 -35.55 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 24' ' ' PHE . 6.7 m-85 -128.95 78.41 76.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -33.42 4.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.7 pt20 -45.65 -39.61 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 6.2 p -80.81 141.18 51.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.04 151.28 39.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 17' ' ' ALA . 2.5 t80 -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -39.98 -56.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -56.22 -57.4 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' HG12 ' A' ' 27' ' ' VAL . 51.8 t -41.87 -63.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.1 mt -41.87 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -38.88 -68.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -44.15 -43.77 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.73 -42.51 83.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLN . 22.8 mt-30 -66.53 -9.51 35.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -106.15 -59.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 p -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.66 39.03 18.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.6 m -173.45 103.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.1 m -39.09 -34.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.88 -67.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.34 -18.64 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 36' ' ' LEU . 8.3 m -72.94 -55.05 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ILE . 33.0 p -61.54 -36.83 81.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -46.6 -27.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 37.6 m-20 -77.13 -41.35 42.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.7 mt -77.19 -54.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -46.37 -58.46 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.63 -29.12 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.83 87.26 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.94 -64.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 48' ' ' ASN . 9.2 mt -63.72 95.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -74.17 130.61 40.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.0 t -114.74 92.12 28.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.29 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 66.03 117.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.86 -159.21 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -57.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.947 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -167.87 149.53 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.55 -155.59 16.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.52 144.32 25.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -159.85 137.2 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -49.35 168.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 1.1 m 61.33 36.08 17.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -97.24 -24.4 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -73.86 -56.67 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -39.69 -57.09 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.35 -56.7 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.464 ' CE ' HD21 ' A' ' 36' ' ' LEU . 4.8 mtm -46.83 -57.93 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.561 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -53.23 -57.84 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -41.36 -51.62 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -52.64 -41.38 63.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 13.4 mt -74.37 -49.4 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -39.88 -39.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -47.46 77.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.513 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 mtm -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.0 m-85 -136.8 80.5 36.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.29 3.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -42.96 -53.93 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -64.21 142.72 98.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.96 142.35 27.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 17' ' ' ALA . 9.0 t80 -62.43 -52.8 62.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.591 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 15.0 p-80 -39.6 -57.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.547 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 5.9 mt -59.01 -57.99 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -41.21 -63.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 29' ' ' TYR . 18.1 mt -40.1 -66.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -70.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -41.75 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 45' ' ' THR . 2.9 tp -49.92 -67.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 mt-30 -41.31 -28.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.73 -64.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.3 p -51.8 -47.19 64.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 65.55 29.55 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 13.6 m -165.92 107.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.8 m -39.06 -34.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -66.95 -69.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 5.7 mt -47.38 -24.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 36' ' ' LEU . 4.3 m -69.93 -52.86 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ILE . 28.2 p -65.12 -34.96 79.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -26.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 45' ' ' THR . 32.9 m-20 -77.67 -38.99 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.8 mt -80.94 -57.7 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -41.42 -59.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.54 -28.76 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.94 80.26 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -120.2 -58.74 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 48' ' ' ASN . 7.4 mt -65.99 95.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -54.71 134.3 47.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.25 90.64 25.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 90.13 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.28 126.83 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p 179.69 116.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.85 131.13 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 m -65.95 148.43 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.05 105.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 -127.1 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.36 101.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 109.367 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -45.54 -57.66 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.09 137.69 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -164.84 87.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.43 -53.17 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 HD23 ' CE ' ' A' ' 16' ' ' MET . 45.6 mt -47.25 -38.07 11.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.13 -59.87 4.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.41 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.48 ' CE ' HD23 ' A' ' 13' ' ' LEU . 22.7 mtm -45.89 -60.21 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -40.18 -60.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -40.06 -64.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.565 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.07 -42.81 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 87.9 mt -68.36 -60.91 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.8 -42.11 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 4.5 mm-40 -57.72 -51.16 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.557 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 11.2 mtm -73.14 -45.93 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 46' ' ' THR . 3.1 m-85 -123.43 77.38 54.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.53 5.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -40.73 -42.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -78.69 143.15 62.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.05 148.48 35.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 2.7 t80 -59.99 -47.25 86.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -43.62 -55.91 4.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.651 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.43 -59.1 5.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.2 t -41.75 -64.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 29' ' ' TYR . 10.7 mt -41.39 -68.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -39.0 -68.3 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 2.2 t70 -43.13 -45.31 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 16' ' ' MET . 0.3 OUTLIER -55.09 -44.73 75.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' GLN . 2.4 mt-30 -64.35 -11.03 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -104.65 -63.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.54 39.91 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.3 m -173.42 102.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.48 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.1 m -39.5 -30.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.9 tt0 -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -59.55 -21.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 7.6 m -71.56 -48.18 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.568 HG21 ' CE1' ' A' ' 24' ' ' PHE . 2.8 p -71.19 -28.86 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -23.98 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 45' ' ' THR . 12.3 m-20 -82.98 -26.5 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.9 mt -89.85 -36.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -72.76 -12.94 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -119.24 13.54 12.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 81.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.85 -54.18 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.763 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.452 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.5 mt -80.86 95.43 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.2 138.42 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -73.04 114.05 27.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 70.16 5.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -148.45 -58.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -118.6 81.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.85 -130.49 8.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 65.13 93.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 109.984 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m 55.47 93.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.4 -114.01 1.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 117.64 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.73 163.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 61.08 98.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m -77.76 85.43 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.19 -34.46 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 36' ' ' LEU . 1.4 mt -56.7 -51.26 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.0 -49.35 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.33 36.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 11.7 mtm -43.19 -52.24 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' ' CE1' ' A' ' 29' ' ' TYR . . . -50.0 -57.05 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -45.58 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -45.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 78.4 mt -69.05 -53.53 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.598 ' OE1' ' CD2' ' A' ' 29' ' ' TYR . 4.3 tp60 -38.32 -40.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.04 -64.0 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 mtp -57.8 -49.39 76.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 46' ' ' THR . 52.3 m-85 -123.44 77.97 54.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.419 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.4 Cg_endo -74.97 -30.92 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -41.02 -52.88 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -67.36 142.83 96.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.5 Cg_endo -74.95 148.91 36.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.598 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 1.1 t80 -63.06 -53.05 59.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -40.12 -51.07 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.9 -54.63 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -41.23 -61.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 mt -44.25 -67.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.44 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 10.8 t70 -43.87 -43.48 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -57.1 -43.29 82.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLN . 2.4 mm-40 -65.29 -10.56 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -105.25 -61.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 p -66.79 -38.42 86.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 55.81 42.36 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 44' ' ' ILE . 3.0 m -173.12 100.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.2 m -38.94 -31.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.9 mt-10 -65.41 -56.77 10.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.03 -17.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.4 m -70.29 -52.71 20.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 24' ' ' PHE . 34.8 p -67.09 -34.41 77.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -24.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' ARG . 8.8 m-20 -82.54 -38.98 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.5 mt -77.48 -51.74 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -52.02 -21.77 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.58 21.09 13.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.28 83.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ASN . 2.3 mtt-85 -120.68 -47.68 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.42 95.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -125.46 116.7 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 2.5 t -133.08 136.58 27.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.96 84.04 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -127.9 102.7 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -154.74 165.91 35.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.78 -79.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m 52.9 94.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -167.95 118.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.19 64.2 3.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.46 132.62 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.02 165.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -73.09 151.86 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.45 -54.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' C ' ' SD ' ' A' ' 16' ' ' MET . 21.1 mp0 -57.31 -56.69 18.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD11 ' NE2' ' A' ' 37' ' ' GLN . 8.2 mt -50.91 -52.41 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -46.4 -58.71 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.77 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 2.0 mtp -39.61 -55.13 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -51.58 -63.03 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.08 -62.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -40.83 -48.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 63.5 mt -67.3 -50.0 66.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.95 -41.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.05 -63.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.417 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 72.6 mtm -60.29 -46.48 89.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 11.8 m-85 -125.45 77.11 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.01 -30.13 7.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -42.65 -39.54 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 4.9 p -78.79 141.91 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.0 147.8 34.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 17' ' ' ALA . 24.0 t80 -62.48 -51.95 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -42.24 -57.48 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 28' ' ' PRO . 17.8 mt -57.8 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.46 -61.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' GLN . 15.1 mt -41.34 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.89 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 -45.32 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -55.09 -46.07 75.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' GLN . 17.1 mm-40 -62.05 -13.11 23.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.09 -63.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 p -62.24 -41.04 98.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.87 42.57 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' ILE . 8.5 t -171.81 97.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 20' ' ' ILE . 4.2 m -39.14 -30.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.0 tt0 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' SER . 5.9 mt -68.3 -19.52 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.3 m -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.483 HG23 ' CE1' ' A' ' 24' ' ' PHE . 22.1 p -67.28 -30.72 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -22.0 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.3 m-20 -84.76 -44.77 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.74 -50.99 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -51.12 -27.53 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -110.35 21.3 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.02 78.84 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 4.1 mmm180 -113.85 -46.46 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -83.11 95.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.19 96.68 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.7 t -130.99 91.71 35.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.33 5.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.12 102.25 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -52.9 168.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.66 -113.44 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.0 132.46 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 p -64.56 118.8 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 126.9 5.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.65 69.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.02 168.03 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -77.94 -52.69 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 44.09 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -54.83 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -47.53 -46.18 27.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.3 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.31 -61.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.456 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.5 mtp -41.95 -60.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.49 -58.37 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -60.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.35 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 75.0 mt -65.95 -59.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.88 -44.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.55 -59.18 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -69.33 -36.89 77.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 46' ' ' THR . 11.4 m-85 -124.77 76.35 65.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.9 pt20 -44.06 -39.05 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 9.0 p -80.69 140.93 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.97 141.26 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.96 -50.41 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -40.06 -68.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.627 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.98 -58.01 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 t -41.97 -60.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 18.9 mt -40.6 -70.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.466 ' OE1' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.32 -69.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.7 t70 -43.0 -38.5 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.9 OUTLIER -58.44 -49.79 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' N ' HD12 ' A' ' 13' ' ' LEU . 2.6 mm-40 -61.99 -12.96 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' OE1' ' A' ' 34' ' ' GLN . 2.1 mt -97.41 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 44.7 p -62.96 -39.73 95.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 60.78 38.59 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 106.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.8 m -41.7 -28.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -69.21 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 5.0 mt -59.17 -25.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -68.51 -51.05 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.55 HG21 ' CE1' ' A' ' 24' ' ' PHE . 19.6 p -69.41 -32.48 71.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -25.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.8 m-20 -81.93 -36.4 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.1 mt -80.78 -57.15 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.14 -53.41 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -28.7 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.49 93.13 0.89 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -132.38 -57.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.72 95.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -127.13 116.67 21.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 77.7 t -130.67 142.92 47.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.98 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 125.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -176.37 142.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.1 125.35 2.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.93 158.06 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 110.058 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t 51.85 82.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.24 -140.48 15.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.14 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p 47.1 85.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.48 135.6 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -107.01 103.32 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -85.27 -56.05 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 36' ' ' LEU . 1.2 mt -44.72 -31.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.19 -58.15 8.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -53.53 -61.43 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 2.2 mtp -37.56 -48.81 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . . . -50.47 -60.43 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -60.14 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -42.56 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 86.5 mt -70.93 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -38.65 -35.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.65 -51.15 69.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . 25.6 mtm -81.27 -24.97 36.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.4 m-85 -134.18 78.57 58.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -34.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -43.01 -50.53 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.3 p -72.66 140.61 81.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.05 155.52 42.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 17' ' ' ALA . 3.5 t80 -65.51 -47.07 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -44.41 -59.13 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.602 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.08 -59.03 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 t -41.6 -61.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.48 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.89 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 10.1 t70 -42.23 -46.69 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD23 ' CE ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -57.67 -44.84 86.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLN . 8.0 mm-40 -63.73 -11.2 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -104.88 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -66.73 -42.44 86.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.0 mmm180 63.44 39.14 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.4 m -170.08 103.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.1 m -40.18 -33.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' N ' HG21 ' A' ' 42' ' ' VAL . 9.7 tt0 -61.64 -66.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.61 -14.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.463 HG21 ' CD1' ' A' ' 36' ' ' LEU . 60.6 m -75.66 -54.13 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 50' ' ' LEU . 30.1 p -63.83 -34.8 78.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.35 -25.7 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' HD11 ' A' ' 54' ' ' ILE . 22.9 m-20 -78.69 -35.45 45.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.5 mt -84.64 -57.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -40.03 -57.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.05 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.36 102.29 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -141.26 -54.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 HD11 ' CB ' ' A' ' 48' ' ' ASN . 8.5 mt -70.84 94.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.57 126.05 22.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.35 82.19 23.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 58.65 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.7 t80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -139.18 -57.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -155.0 144.96 21.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.24 -63.19 0.91 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.71 136.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -104.21 85.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.36 -74.38 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 160.44 21.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 t -149.5 89.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.37 127.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 88.1 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -71.5 -34.15 69.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 36' ' ' LEU . 1.5 mt -55.6 -31.7 62.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -56.92 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.445 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.3 mtp -37.45 -58.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.87 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -38.71 -43.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 11.4 mt -70.96 -50.12 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -42.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 7.5 mtm -60.69 -41.9 96.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 4.2 m-85 -126.8 78.47 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.72 3.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 7.5 pt20 -41.36 -38.97 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.2 p -80.59 141.24 52.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.545 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -74.98 159.37 41.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -72.41 -51.93 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 31' ' ' LEU . 23.9 p-80 -39.99 -56.31 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 9.5 mt -59.93 -55.6 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 t -41.27 -64.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -44.55 -65.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.51 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -45.02 -37.8 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -59.66 -43.41 93.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -65.64 -9.88 31.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -62.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -66.5 -36.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 6.1 mmm180 51.64 42.04 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.463 ' CB ' HD13 ' A' ' 44' ' ' ILE . 3.1 m -173.42 98.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 16' ' ' MET . 4.1 m -38.83 -30.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.9 tt0 -63.77 -54.59 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 HD13 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -70.83 -15.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.2 m -71.49 -54.61 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 24' ' ' PHE . 18.0 p -67.35 -35.49 79.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -46.3 -25.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 4.2 m-20 -81.99 -41.26 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.3 mt -73.53 -45.3 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.34 -17.1 52.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.02 17.73 13.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.23 78.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.69 -50.41 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt -86.17 98.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -125.01 73.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.1 t 47.04 76.38 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 58.86 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -169.13 168.92 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -166.87 156.23 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.84 -151.1 6.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.59 105.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -132.08 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.34 163.2 23.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.87 155.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -124.58 98.06 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -160.87 112.84 1.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 14' ' ' ASN . 11.8 m -162.95 99.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -54.87 -51.6 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.1 mp -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -45.37 -49.62 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.04 -57.53 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.416 ' CB ' HD22 ' A' ' 36' ' ' LEU . 2.6 mtp -44.82 -47.68 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -54.84 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -47.93 -60.14 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -42.24 -48.08 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.491 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 38.9 mt -62.04 -46.03 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.52 -50.33 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.14 -31.61 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -88.67 -47.7 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 7.2 m-85 -126.14 71.88 70.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.39 3.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -44.41 -39.55 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.17 165.35 54.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 154.9 43.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CE2' ' CD1' ' A' ' 33' ' ' LEU . 27.1 t80 -82.67 -43.65 16.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -49.81 -64.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.583 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -44.81 -59.64 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.36 -57.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' CD1' ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -50.23 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -43.84 -59.7 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -44.62 -43.21 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -57.69 -41.71 82.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' GLN . 1.9 mt-30 -67.0 -9.68 41.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -106.16 -57.48 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -72.08 -42.68 65.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.1 mpp_? 61.88 40.04 13.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' GLU . 8.5 t -170.93 105.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.491 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 3.5 m -43.53 -27.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.8 tt0 -70.81 -58.4 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.1 -21.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 36' ' ' LEU . 7.7 m -70.4 -49.51 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' LEU . 23.8 p -71.67 -32.83 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -28.83 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 8.7 m-20 -76.88 -37.62 55.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' THR . 4.1 mt -79.66 -58.57 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -39.85 -54.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -29.03 33.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.25 112.99 2.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -151.67 -54.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' CB ' ' A' ' 48' ' ' ASN . 8.9 mt -73.07 93.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.08 110.89 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.1 t -137.7 135.33 18.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 85.17 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.776 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -131.78 -58.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.052 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -65.27 -58.77 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.54 106.73 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -51.73 140.41 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m 63.45 92.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.83 -172.32 40.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.39 86.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -91.26 91.71 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -129.0 -58.41 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -101.67 85.94 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -68.3 -67.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 36' ' ' LEU . 1.5 mt -41.73 -51.76 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' CB ' ' HB3' ' A' ' 11' ' ' SER . 3.1 t-20 -40.42 -44.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.97 74.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.462 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 11.9 mtm -50.18 -58.45 5.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.33 -57.37 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.6 t60 -43.69 -63.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.575 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -44.01 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 92.6 mt -67.26 -53.71 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' PRO . 1.1 tm0? -38.7 -49.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 14.4 mt-10 -49.39 -56.68 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 5.2 mtm -69.64 -37.4 76.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -131.41 80.76 66.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.5 Cg_endo -74.95 -34.04 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -39.81 -53.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -67.14 141.19 96.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.03 155.31 42.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -55.59 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.53 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 t -40.93 -63.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.1 mt -40.97 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.76 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.234 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.04 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.45 -43.85 88.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' GLN . 10.5 mm-40 -64.97 -10.65 30.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.447 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 54.9 p -65.58 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 5.9 mmm180 54.52 40.24 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLU . 8.7 t -169.17 102.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 20' ' ' ILE . 4.0 m -39.72 -30.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 tt0 -68.71 -54.51 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 6.5 mt -65.65 -18.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.532 ' CG2' ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -70.52 -55.06 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.459 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.483 HG23 ' CE1' ' A' ' 24' ' ' PHE . 61.5 p -66.44 -37.03 84.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -26.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.6 m-20 -80.73 -43.8 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' THR . 3.4 mt -72.27 -51.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -51.19 -22.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.22 21.4 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.57 80.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.586 1.179 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.47 -39.07 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 mt -87.42 92.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.24 99.96 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -54.54 155.09 7.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.7 3.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 -57.23 12.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.2 mtm -41.57 -52.39 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.63 -60.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 13.4 t60 -44.79 -58.95 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -43.22 -46.1 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CB ' ' A' ' 42' ' ' VAL . 65.6 mt -67.65 -56.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -38.5 -43.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mt-10 -54.19 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.482 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.1 mtm -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 m-85 -134.8 81.51 46.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -34.96 3.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -40.74 -53.92 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -70.15 141.12 88.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 175.26 11.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.74 -54.4 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 5.6 p-80 -41.08 -54.49 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 28' ' ' PRO . 10.9 mt -59.22 -59.49 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG23 HG22 ' A' ' 27' ' ' VAL . 3.7 t -40.59 -63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.5 mt -41.57 -66.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.564 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.91 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -45.09 -38.4 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -60.4 -44.3 95.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.646 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.8 mm-40 -64.28 -11.61 33.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -103.0 -62.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -65.95 -42.59 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.5 mmm180 61.01 40.17 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.1 m -172.89 103.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.583 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -40.11 -29.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.7 mt-10 -66.18 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.8 mt -59.64 -21.31 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.025 HG21 HD12 ' A' ' 36' ' ' LEU . 5.6 m -71.09 -49.88 39.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' HD12 ' A' ' 49' ' ' ILE . 22.4 p -71.43 -32.06 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -23.57 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB2' HD12 ' A' ' 54' ' ' ILE . 2.6 m120 -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -82.85 -56.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.765 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.12 -43.34 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.08 -29.03 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 89.23 89.45 1.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.9 -57.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.797 . . . . 0.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.49 -51.21 61.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.642 ' SD ' HG13 ' A' ' 42' ' ' VAL . 22.7 mtm -47.82 -54.87 11.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.75 -63.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.09 -63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -40.97 -45.68 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.704 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.0 mt -66.06 -56.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tm0? -38.4 -41.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.07 -58.49 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.46 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 10.4 mtm -68.45 -39.44 81.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.7 m-85 -126.74 79.19 72.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.59 4.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -42.81 -53.71 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 10.1 p -66.23 140.99 97.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' HD11 ' A' ' 33' ' ' LEU . 8.5 t80 -62.51 -47.47 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -42.63 -55.15 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' A' ' 28' ' ' PRO . 26.5 mt -60.44 -54.97 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -42.23 -63.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 29' ' ' TYR . 17.7 mt -45.09 -68.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -38.93 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' OD1' HD11 ' A' ' 54' ' ' ILE . 4.5 t70 -44.72 -40.8 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.53 -42.66 92.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.739 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.2 mm-40 -66.42 -9.89 38.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.739 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -105.5 -59.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 p -70.48 -43.21 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 62.03 39.08 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.5 m -172.12 103.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.704 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.98 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.3 tt0 -64.08 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.74 -19.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.052 HG21 HD12 ' A' ' 36' ' ' LEU . 6.7 m -71.39 -50.58 30.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.807 ' HA ' HD12 ' A' ' 49' ' ' ILE . 24.2 p -70.21 -32.47 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -25.33 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.482 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.4 m120 -81.18 -35.89 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -81.75 -57.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.58 -43.99 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.53 -29.0 21.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.82 92.88 1.01 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -131.86 -53.67 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD12 ' HB2' ' A' ' 48' ' ' ASN . 9.0 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -57.4 -59.49 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.571 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.3 mtp -37.73 -46.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.98 -54.04 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 1.6 t-80 -51.06 -64.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -41.23 -42.51 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.1 mt -65.97 -54.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 2.2 tp-100 -39.69 -46.17 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 17.4 mt-10 -51.85 -56.9 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 13.5 mtm -69.62 -45.81 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 m-85 -125.11 78.26 66.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -74.99 -33.47 4.56 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -39.91 -47.43 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 24' ' ' PHE . 11.8 p -72.59 140.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.95 159.48 41.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -68.13 -53.31 26.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -40.35 -59.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.28 -59.91 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' PRO . 40.0 t -40.89 -62.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.0 mt -40.86 -70.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.936 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.5 -65.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.62 ' OD1' HD11 ' A' ' 54' ' ' ILE . 3.2 t70 -43.34 -44.44 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.032 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.07 -44.18 82.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.1 mt-30 -64.45 -11.35 32.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.936 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -104.35 -61.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 p -67.2 -43.94 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mmm-85 63.18 38.36 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 104.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.702 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.98 -30.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' SER . 7.5 tt0 -64.41 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.07 -20.81 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.032 HG21 HD12 ' A' ' 36' ' ' LEU . 7.4 m -71.27 -47.7 55.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.906 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 p -71.7 -27.66 63.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -25.65 17.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.732 ' HB2' HD12 ' A' ' 54' ' ' ILE . 5.0 m120 -81.42 -24.06 37.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -92.68 -31.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -81.49 -12.03 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.08 14.59 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.15 79.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.56 1.163 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -122.28 -61.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' HA ' HD21 ' A' ' 33' ' ' LEU . 7.9 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.44 -56.92 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.505 ' SD ' HG13 ' A' ' 42' ' ' VAL . 34.2 mtm -40.09 -52.59 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -43.2 -60.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -57.26 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.74 -43.89 13.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 42' ' ' VAL . 87.3 mt -70.35 -56.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -38.44 -35.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.2 -56.78 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 36.5 mtm -71.34 -42.5 68.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 3.6 m-85 -124.75 78.37 64.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.47 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -40.7 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 28' ' ' PRO . 5.0 p -64.05 141.9 98.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 148.16 35.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.64 -56.95 15.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -40.55 -61.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.831 HD12 ' HG2' ' A' ' 28' ' ' PRO . 16.8 mt -49.97 -59.33 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 27' ' ' VAL . 8.7 t -42.74 -62.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 14' ' ' ASN . 19.7 mt -42.5 -63.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.93 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.7 t70 -44.58 -44.47 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.112 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -56.11 -41.89 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.781 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.3 mt-30 -66.61 -9.56 36.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.36 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 p -72.77 -43.38 62.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 64.3 38.8 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.46 108.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.604 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -42.44 -28.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.1 tt0 -66.11 -71.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.23 -20.72 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.112 HG21 HD12 ' A' ' 36' ' ' LEU . 79.4 m -73.99 -50.49 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.4 p -65.39 -30.11 70.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -29.05 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.594 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.9 m120 -76.67 -25.05 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.6 mt -93.49 -60.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.71 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.46 -50.56 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.44 -26.34 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 84.31 105.0 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -145.44 -54.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.594 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.3 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.75 35.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 36' ' ' LEU . 20.9 mtm -49.15 -42.71 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.82 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -45.79 -57.04 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -38.82 -52.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 42' ' ' VAL . 42.1 mt -66.14 -54.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -38.13 -42.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.25 -63.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 22.1 mtm -66.16 -37.39 85.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -128.7 79.91 73.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.45 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.43 -54.0 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 ' HD2' ' A' ' 28' ' ' PRO . 4.1 p -64.15 142.19 98.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.03 156.2 42.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -67.37 -45.27 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -50.72 -58.87 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD12 ' HG2' ' A' ' 28' ' ' PRO . 34.4 mt -52.16 -55.37 21.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 28' ' ' PRO . 43.7 t -44.37 -62.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.9 mt -42.95 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.82 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' OD1' HD11 ' A' ' 54' ' ' ILE . 1.6 t70 -45.39 -41.77 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.036 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.59 -42.35 87.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.744 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.3 mm-40 -67.09 -8.88 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -105.27 -59.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.4 p -70.53 -39.89 73.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 59.22 40.34 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.5 m -173.54 103.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.0 ' O ' HG23 ' A' ' 46' ' ' THR . 3.7 m -38.86 -34.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' SER . 3.1 tt0 -59.18 -69.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -57.54 -18.56 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.036 HG21 HD12 ' A' ' 36' ' ' LEU . 10.7 m -72.5 -54.05 10.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 1.0 HG23 ' O ' ' A' ' 42' ' ' VAL . 29.4 p -64.43 -36.05 82.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.66 -24.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.487 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.3 m120 -79.43 -39.85 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.9 mt -78.97 -51.08 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -51.35 -24.33 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.0 mt-10 -114.53 21.74 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.48 84.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.5 mmt180 -121.66 -48.43 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.787 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.9 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.87 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 24.0 mtm -47.12 -44.32 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -54.38 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -62.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -46.89 -44.84 20.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.705 HD11 ' CB ' ' A' ' 42' ' ' VAL . 99.4 mt -62.91 -46.87 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.89 -39.7 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.66 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.9 mtm -60.66 -33.35 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.3 m-85 -133.68 81.71 52.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.54 -52.22 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.9 p -69.3 140.81 90.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.739 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 158.91 42.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.16 -54.94 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 18.3 p80 -41.03 -41.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD12 ' HG2' ' A' ' 28' ' ' PRO . 9.3 mt -68.94 -60.14 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG13 HD13 ' A' ' 36' ' ' LEU . 12.2 t -42.63 -57.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.9 mt -40.56 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.7 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -39.58 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.24 -41.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.056 HD12 HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -57.69 -43.99 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.8 mt-30 -65.82 -9.96 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -105.12 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -66.02 -36.42 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 54.31 37.65 27.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.8 m -171.86 102.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.969 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.705 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.91 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.4 tt0 -62.11 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.71 -19.79 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.056 HG21 HD12 ' A' ' 36' ' ' LEU . 5.1 m -71.61 -49.93 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.899 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 p -71.82 -31.53 66.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.338 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 11.6 t0 -49.22 -29.67 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.7 m120 -76.64 -34.11 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -80.53 -39.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -70.21 -18.9 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 3.7 pt-20 -118.36 14.39 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.74 89.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.73 -48.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 33' ' ' LEU . 6.1 t30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -52.07 -62.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.645 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.6 mtp -37.42 -51.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -44.72 -55.83 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -61.32 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -38.77 -48.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 32.4 mt -63.84 -49.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 2.5 tm0? -38.65 -43.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.56 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 19.3 mtm -65.17 -50.48 65.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 5.0 m-85 -122.15 77.52 42.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.02 -32.5 5.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -40.63 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.4 p -64.41 143.09 98.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 160.91 39.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.43 -52.52 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -40.05 -61.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.614 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 28' ' ' PRO . 28.7 mt -53.64 -57.72 9.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 28' ' ' PRO . 42.8 t -41.0 -61.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.5 mt -43.4 -67.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.52 -66.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.9 t70 -42.84 -45.32 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.22 -44.15 88.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.75 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.7 mt-30 -64.16 -11.28 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.1 mt -103.83 -63.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 63.3 p -66.71 -42.85 85.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 62.78 40.1 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.4 m -170.25 102.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 46' ' ' THR . 3.9 m -39.58 -31.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 mt-10 -66.56 -56.14 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.1 mt -65.68 -16.23 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.876 HG21 HD12 ' A' ' 36' ' ' LEU . 1.8 m -71.36 -54.21 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 42' ' ' VAL . 26.0 p -64.4 -35.07 79.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 2.1 m-20 -48.35 -24.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 7.3 m120 -81.19 -38.62 26.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.81 -56.15 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -39.59 -47.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 2.7 pt-20 -86.49 -26.66 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 86.15 93.72 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -129.64 -52.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.448 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.62 -57.92 10.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.655 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.1 mtp -39.35 -44.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.8 -59.54 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -57.29 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -43.2 -39.32 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 42' ' ' VAL . 97.5 mt -73.67 -50.76 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -39.02 -40.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.84 -58.79 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.519 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtm -68.36 -48.44 64.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -123.2 77.56 52.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -41.6 -54.07 3.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -64.62 142.64 98.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 155.09 42.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.77 -48.95 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -41.46 -61.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD12 ' HG2' ' A' ' 28' ' ' PRO . 14.0 mt -53.84 -56.46 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PRO . 49.8 t -40.47 -61.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.75 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.902 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.87 -65.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 54' ' ' ILE . 18.3 t70 -43.65 -45.02 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.894 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.62 -42.63 88.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.795 ' C ' HD23 ' A' ' 38' ' ' LEU . 31.3 mt-30 -66.22 -9.45 32.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.902 HD11 ' OE1' ' A' ' 34' ' ' GLN . 1.1 mt -105.64 -60.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -69.68 -40.69 76.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER 59.45 41.18 19.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.752 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.5 m -171.45 102.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.69 -31.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.072 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 41' ' ' SER . 29.4 tt0 -65.03 -56.34 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.752 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -66.36 -17.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.894 HG21 HD12 ' A' ' 36' ' ' LEU . 2.0 m -69.77 -51.63 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.755 ' HB ' HD12 ' A' ' 50' ' ' LEU . 63.8 p -66.51 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.64 -22.26 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.585 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.6 m120 -84.18 -30.86 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.2 mt -88.68 -58.04 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.755 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.65 -49.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.86 -28.45 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.6 103.24 0.78 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -143.59 -51.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.75 -57.55 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.763 ' HB3' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -41.63 -59.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.17 -64.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.48 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -40.58 -48.14 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 42' ' ' VAL . 83.4 mt -64.98 -52.0 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 1.4 tp60 -38.62 -39.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.12 -63.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtp -59.75 -46.94 87.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 27' ' ' VAL . 35.5 m-85 -124.96 77.73 66.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -26.8 10.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.99 -53.94 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' HD2' ' A' ' 28' ' ' PRO . 6.8 p -65.04 141.51 98.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.99 143.97 29.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 33' ' ' LEU . 13.4 t80 -56.34 -53.79 53.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -41.26 -52.61 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 28' ' ' PRO . 8.5 mt -61.36 -54.55 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -42.1 -64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -40.6 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.95 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.96 -42.89 6.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.883 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.43 -43.49 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.675 ' C ' HD23 ' A' ' 38' ' ' LEU . 16.1 mt-30 -64.91 -10.7 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.81 -62.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 p -66.58 -39.88 88.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 58.65 41.11 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.697 ' CB ' HD12 ' A' ' 44' ' ' ILE . 2.7 m -172.79 99.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -38.91 -31.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -64.94 -56.95 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.697 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.07 -17.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.883 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -68.92 -50.18 51.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' VAL . 20.0 p -67.85 -30.52 69.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -22.1 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 53' ' ' ARG . 9.6 m120 -84.74 -45.36 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.11 -50.65 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -49.96 -24.91 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.8 mt-10 -118.5 22.68 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.79 82.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -113.45 -47.42 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.644 ' HA ' HD21 ' A' ' 33' ' ' LEU . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -55.78 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.668 ' HB3' HG12 ' A' ' 42' ' ' VAL . 29.4 mtm -41.65 -51.51 4.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -47.23 -60.31 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.33 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.563 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -39.24 -48.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.571 HD11 ' CB ' ' A' ' 42' ' ' VAL . 44.5 mt -65.28 -55.56 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.82 -48.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.92 -61.81 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.7 mtm -61.19 -40.32 93.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -128.5 79.55 74.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -34.71 3.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -42.4 -38.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.8 p -81.86 141.13 47.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -75.01 156.25 42.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 1.5 t80 -70.41 -50.11 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.608 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 27.7 p80 -41.38 -57.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' CE1' ' A' ' 30' ' ' HIS . 8.0 mt -57.76 -59.51 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -40.49 -61.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 14' ' ' ASN . 13.1 mt -41.37 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.785 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.47 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.03 -39.91 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.077 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -58.37 -44.52 88.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.594 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.6 mt-30 -63.96 -11.66 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -104.32 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.6 p -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.07 39.3 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.665 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.4 t -168.6 103.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 16' ' ' MET . 3.4 m -42.24 -28.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.6 tt0 -69.85 -56.33 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.665 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.6 mt -66.71 -23.62 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.077 HG21 HD12 ' A' ' 36' ' ' LEU . 4.2 m -69.25 -48.67 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.913 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -72.17 -30.55 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -23.94 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.654 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.2 m120 -83.01 -31.48 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -84.13 -45.04 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -60.45 -15.72 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.7 12.55 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.94 76.91 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.4 mtm180 -116.28 -50.99 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 48' ' ' ASN . 10.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.563 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -59.44 -62.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.558 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -37.4 -52.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.72 -53.29 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -42.34 -43.9 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 42' ' ' VAL . 93.6 mt -66.54 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' N ' ' A' ' 29' ' ' TYR . 3.2 tp60 -38.35 -42.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.17 -53.91 51.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtm -73.24 -35.55 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.7 m-85 -128.95 78.41 76.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -33.42 4.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.7 pt20 -45.65 -39.61 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 24' ' ' PHE . 6.2 p -80.81 141.18 51.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.78 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.04 151.28 39.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.5 t80 -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -39.98 -56.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.78 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.3 mt -56.22 -57.4 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 28' ' ' PRO . 51.8 t -41.87 -63.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -41.87 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -38.88 -68.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -44.15 -43.77 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.73 -42.51 83.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.769 ' C ' HD23 ' A' ' 38' ' ' LEU . 22.8 mt-30 -66.53 -9.51 35.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.15 -59.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 p -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.66 39.03 18.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.6 m -173.45 103.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -39.09 -34.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.88 -67.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.34 -18.64 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 36' ' ' LEU . 8.3 m -72.94 -55.05 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 42' ' ' VAL . 33.0 p -61.54 -36.83 81.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -46.6 -27.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.1 m120 -77.13 -41.35 42.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.7 mt -77.19 -54.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -46.37 -58.46 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.63 -29.12 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.83 87.26 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.94 -64.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.628 ' CG2' HD13 ' A' ' 31' ' ' LEU . 9.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.63 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.35 -56.7 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.8 mtm -46.83 -57.93 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HD22 ' A' ' 36' ' ' LEU . . . -53.23 -57.84 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -41.36 -51.62 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -52.64 -41.38 63.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 42' ' ' VAL . 13.4 mt -74.37 -49.4 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -39.88 -39.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -47.46 77.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.514 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 mtm -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.0 m-85 -136.8 80.5 36.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.29 3.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -42.96 -53.93 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -64.21 142.72 98.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.96 142.35 27.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE2' HD11 ' A' ' 33' ' ' LEU . 9.0 t80 -62.43 -52.8 62.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.591 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 15.0 p-80 -39.6 -57.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.547 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 5.9 mt -59.01 -57.99 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 27' ' ' VAL . 54.4 t -41.21 -63.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.66 HD11 ' CE2' ' A' ' 29' ' ' TYR . 18.1 mt -40.1 -66.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -70.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -41.75 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 45' ' ' THR . 2.9 tp -49.92 -67.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.4 mt-30 -41.31 -28.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.73 -64.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.3 p -51.8 -47.19 64.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 65.55 29.55 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.827 ' HB2' HD12 ' A' ' 44' ' ' ILE . 13.6 m -165.92 107.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 46' ' ' THR . 3.8 m -39.06 -34.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -66.95 -69.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.7 mt -47.38 -24.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 36' ' ' LEU . 4.3 m -69.93 -52.86 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 p -65.12 -34.96 79.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -26.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' ARG . 9.0 m120 -77.67 -38.99 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -80.94 -57.7 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -41.42 -59.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.54 -28.76 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.94 80.26 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -120.2 -58.74 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.41 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.511 ' SD ' HG13 ' A' ' 42' ' ' VAL . 22.7 mtm -45.89 -60.21 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' MET . . . -40.18 -60.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -40.06 -64.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.565 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.07 -42.81 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.724 HD11 ' CB ' ' A' ' 42' ' ' VAL . 87.9 mt -68.36 -60.91 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.8 -42.11 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 4.5 mm-40 -57.72 -51.16 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.557 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 11.2 mtm -73.14 -45.93 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.1 m-85 -123.43 77.38 54.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.53 5.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -40.73 -42.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -78.69 143.15 62.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.05 148.48 35.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 2.7 t80 -59.99 -47.25 86.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -43.62 -55.91 4.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.651 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.7 mt -58.43 -59.1 5.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG23 HG22 ' A' ' 27' ' ' VAL . 18.2 t -41.75 -64.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 29' ' ' TYR . 10.7 mt -41.39 -68.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -39.0 -68.3 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -43.13 -45.31 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.097 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -55.09 -44.73 75.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mt-30 -64.35 -11.03 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.729 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -104.65 -63.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.54 39.91 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.3 m -173.42 102.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.724 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.1 m -39.5 -30.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.9 tt0 -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -59.55 -21.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.097 HG21 HD12 ' A' ' 36' ' ' LEU . 7.6 m -71.56 -48.18 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.922 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -71.19 -28.86 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -23.98 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.68 ' HB2' HD12 ' A' ' 54' ' ' ILE . 4.9 m120 -82.98 -26.5 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.9 mt -89.85 -36.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.76 -12.94 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -119.24 13.54 12.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 81.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.85 -54.18 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.763 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.68 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.33 36.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.7 mtm -43.19 -52.24 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' ' CE1' ' A' ' 29' ' ' TYR . . . -50.0 -57.05 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -45.58 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -45.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.721 HD11 ' CB ' ' A' ' 42' ' ' VAL . 78.4 mt -69.05 -53.53 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.598 ' OE1' ' CD2' ' A' ' 29' ' ' TYR . 4.3 tp60 -38.32 -40.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.04 -64.0 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 mtp -57.8 -49.39 76.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 46' ' ' THR . 52.3 m-85 -123.44 77.97 54.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.419 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.4 Cg_endo -74.97 -30.92 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -41.02 -52.88 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -67.36 142.83 96.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.826 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.95 148.91 36.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.598 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 1.1 t80 -63.06 -53.05 59.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -40.12 -51.07 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.826 HD12 ' HG2' ' A' ' 28' ' ' PRO . 19.5 mt -64.9 -54.63 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' PRO . 54.2 t -41.23 -61.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 mt -44.25 -67.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.44 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.87 -43.48 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -57.1 -43.29 82.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.713 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mm-40 -65.29 -10.56 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.713 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -105.25 -61.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 p -66.79 -38.42 86.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 55.81 42.36 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.708 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.0 m -173.12 100.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.721 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -38.94 -31.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.9 mt-10 -65.41 -56.77 10.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.03 -17.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.949 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -70.29 -52.71 20.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 49' ' ' ILE . 34.8 p -67.09 -34.41 77.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -24.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.6 m120 -82.54 -38.98 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -77.48 -51.74 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -52.02 -21.77 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.58 21.09 13.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.28 83.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ASN . 2.3 mtt-85 -120.68 -47.68 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.77 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.85 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.0 mtp -39.61 -55.13 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.58 -63.03 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.08 -62.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -40.83 -48.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' A' ' 42' ' ' VAL . 63.5 mt -67.3 -50.0 66.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.95 -41.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.05 -63.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.417 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 72.6 mtm -60.29 -46.48 89.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.649 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.8 m-85 -125.45 77.11 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.01 -30.13 7.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -42.65 -39.54 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 24' ' ' PHE . 4.9 p -78.79 141.91 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.907 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 147.8 34.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CE2' HD11 ' A' ' 33' ' ' LEU . 24.0 t80 -62.48 -51.95 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -42.24 -57.48 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.907 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.8 mt -57.8 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 28' ' ' PRO . 53.5 t -40.46 -61.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 29' ' ' TYR . 15.1 mt -41.34 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.52 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 -45.32 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.919 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -55.09 -46.07 75.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm-40 -62.05 -13.11 23.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.09 -63.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 p -62.24 -41.04 98.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.87 42.57 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.831 ' CB ' HD12 ' A' ' 44' ' ' ILE . 8.5 t -171.81 97.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -39.14 -30.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.0 tt0 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.831 HD12 ' CB ' ' A' ' 41' ' ' SER . 5.9 mt -68.3 -19.52 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 36' ' ' LEU . 1.3 m -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' VAL . 22.1 p -67.28 -30.72 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -22.0 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 9.7 m120 -84.76 -44.77 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.74 -50.99 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.12 -27.53 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -110.35 21.3 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.02 78.84 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 4.1 mmm180 -113.85 -46.46 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.31 -61.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.761 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.5 mtp -41.95 -60.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.49 -58.37 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -60.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.35 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 42' ' ' VAL . 75.0 mt -65.95 -59.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.88 -44.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.55 -59.18 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -69.33 -36.89 77.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.4 m-85 -124.77 76.35 65.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.9 pt20 -44.06 -39.05 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.0 p -80.69 140.93 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.97 141.26 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.7 t80 -57.96 -50.41 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -40.06 -68.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.627 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 31' ' ' LEU . 12.7 mt -47.98 -58.01 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 27' ' ' VAL . 3.3 t -41.97 -60.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 18.9 mt -40.6 -70.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.985 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.32 -69.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -43.0 -38.5 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.017 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.9 OUTLIER -58.44 -49.79 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.586 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.6 mm-40 -61.99 -12.96 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.985 HD11 ' OE1' ' A' ' 34' ' ' GLN . 2.1 mt -97.41 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 44.7 p -62.96 -39.73 95.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 60.78 38.59 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.8 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.7 m -171.94 106.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.877 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.8 m -41.7 -28.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -69.21 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -59.17 -25.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.017 HG21 ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -68.51 -51.05 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.837 ' HA ' HD12 ' A' ' 49' ' ' ILE . 19.6 p -69.41 -32.48 71.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -25.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.57 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.5 m120 -81.93 -36.4 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.78 -57.15 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.775 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.14 -53.41 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -28.7 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.49 93.13 0.89 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -132.38 -57.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.8 mt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -53.53 -61.43 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.677 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.2 mtp -37.56 -48.81 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -50.47 -60.43 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -60.14 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -42.56 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.681 HD11 ' CB ' ' A' ' 42' ' ' VAL . 86.5 mt -70.93 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -38.65 -35.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.65 -51.15 69.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . 25.6 mtm -81.27 -24.97 36.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.4 m-85 -134.18 78.57 58.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -34.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -43.01 -50.53 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.3 p -72.66 140.61 81.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.05 155.52 42.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -65.51 -47.07 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -44.41 -59.13 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.602 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD12 ' HG2' ' A' ' 28' ' ' PRO . 13.6 mt -53.08 -59.03 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 t -41.6 -61.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.48 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.607 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.815 ' OD2' HD11 ' A' ' 54' ' ' ILE . 10.1 t70 -42.23 -46.69 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -57.67 -44.84 86.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.797 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.0 mm-40 -63.73 -11.2 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -104.88 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -66.73 -42.44 86.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.0 mmm180 63.44 39.14 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.4 m -170.08 103.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -40.18 -33.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' SER . 9.7 tt0 -61.64 -66.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.61 -14.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.99 HG21 HD12 ' A' ' 36' ' ' LEU . 60.6 m -75.66 -54.13 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.1 p -63.83 -34.8 78.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.35 -25.7 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.7 m120 -78.69 -35.45 45.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.5 mt -84.64 -57.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -40.03 -57.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.05 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.36 102.29 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -141.26 -54.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.815 HD11 ' OD2' ' A' ' 35' ' ' ASP . 8.5 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.668 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.3 mtp -37.45 -58.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.87 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -38.71 -43.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 HG12 ' A' ' 42' ' ' VAL . 11.4 mt -70.96 -50.12 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -42.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 7.5 mtm -60.69 -41.9 96.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -126.8 78.47 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.72 3.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 2.9 pt20 -41.36 -38.97 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.2 p -80.59 141.24 52.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -74.98 159.37 41.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -72.41 -51.93 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.608 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 31.1 p80 -39.99 -56.31 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' CE1' ' A' ' 30' ' ' HIS . 9.5 mt -59.93 -55.6 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' PRO . 5.6 t -41.27 -64.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.0 mt -44.55 -65.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.51 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.02 -37.8 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.947 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.66 -43.41 93.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.603 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.2 mt-30 -65.64 -9.88 31.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -105.99 -62.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -66.5 -36.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 6.1 mmm180 51.64 42.04 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.688 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.1 m -173.42 98.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.767 HG12 HD11 ' A' ' 20' ' ' ILE . 4.1 m -38.83 -30.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.9 tt0 -63.77 -54.59 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 41' ' ' SER . 4.9 mt -70.83 -15.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.947 HG21 HD12 ' A' ' 36' ' ' LEU . 1.2 m -71.49 -54.61 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 49' ' ' ILE . 18.0 p -67.35 -35.49 79.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -46.3 -25.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.1 m120 -81.99 -41.26 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -73.53 -45.3 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -61.34 -17.1 52.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.02 17.73 13.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.23 78.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.69 -50.41 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.04 -57.53 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' HD21 ' A' ' 36' ' ' LEU . 2.6 mtp -44.82 -47.68 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -45.87 -54.84 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -47.93 -60.14 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -42.24 -48.08 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.862 HD11 ' HA ' ' A' ' 42' ' ' VAL . 38.9 mt -62.04 -46.03 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 25' ' ' PRO . 3.0 tp60 -46.52 -50.33 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.14 -31.61 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -88.67 -47.7 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 7.2 m-85 -126.14 71.88 70.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.03 -34.39 3.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -44.41 -39.55 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -75.17 165.35 54.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.94 154.9 43.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 1.063 ' CE2' HD11 ' A' ' 33' ' ' LEU . 27.1 t80 -82.67 -43.65 16.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -49.81 -64.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.583 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 28' ' ' PRO . 27.9 mt -44.81 -59.64 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.36 -57.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.063 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -50.23 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.974 ' OE1' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.84 -59.7 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' HD11 ' A' ' 54' ' ' ILE . 4.0 t70 -44.62 -43.21 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -57.69 -41.71 82.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.73 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.9 mt-30 -67.0 -9.68 41.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.974 HD21 ' OE1' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -106.16 -57.48 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -72.08 -42.68 65.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.1 mpp_? 61.88 40.04 13.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.677 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.5 t -170.93 105.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.862 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.5 m -43.53 -27.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.8 tt0 -70.81 -58.4 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 41' ' ' SER . 5.2 mt -64.1 -21.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 36' ' ' LEU . 7.7 m -70.4 -49.51 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.771 ' HA ' HD12 ' A' ' 49' ' ' ILE . 23.8 p -71.67 -32.83 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -28.83 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.51 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.4 m120 -76.88 -37.62 55.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.1 mt -79.66 -58.57 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -39.85 -54.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -29.03 33.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.25 112.99 2.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -151.67 -54.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 31' ' ' LEU . 8.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.1 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.97 74.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.546 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.9 mtm -50.18 -58.45 5.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.33 -57.37 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 2.2 t-80 -43.69 -63.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.575 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -44.01 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.831 HD11 ' HA ' ' A' ' 42' ' ' VAL . 92.6 mt -67.26 -53.71 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' PRO . 1.1 tm0? -38.7 -49.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 14.4 mt-10 -49.39 -56.68 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 5.2 mtm -69.64 -37.4 76.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -131.41 80.76 66.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.5 Cg_endo -74.95 -34.04 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -39.81 -53.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -67.14 141.19 96.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.03 155.31 42.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -55.59 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.5 mt -54.53 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 36' ' ' LEU . 13.2 t -40.93 -63.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -40.97 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.647 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.76 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.234 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.04 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.938 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.45 -43.85 88.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.689 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.5 mm-40 -64.97 -10.65 30.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 54.9 p -65.58 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 5.9 mmm180 54.52 40.24 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.833 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.7 t -169.17 102.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.831 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.0 m -39.72 -30.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 tt0 -68.71 -54.51 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.5 mt -65.65 -18.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.938 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -70.52 -55.06 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.459 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 61.5 p -66.44 -37.03 84.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -26.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.7 m120 -80.73 -43.8 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -72.27 -51.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.19 -22.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.22 21.4 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.57 80.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.586 1.179 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.47 -39.07 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 p -162.12 162.56 28.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -168.94 105.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.09 127.37 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.24 101.33 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.31 170.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.49 96.17 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.75 -60.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -169.74 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.6 m120 58.79 95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m -123.81 92.96 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.74 -41.49 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.851 HD23 HD23 ' A' ' 36' ' ' LEU . 1.4 mt -55.2 -49.92 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -40.5 -51.48 2.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 -57.23 12.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.2 mtm -41.57 -52.39 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.63 -60.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 13.4 t60 -44.79 -58.95 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -43.22 -46.1 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CB ' ' A' ' 42' ' ' VAL . 65.6 mt -67.65 -56.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -38.5 -43.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mt-10 -54.19 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.482 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.1 mtm -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 m-85 -134.8 81.51 46.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -34.96 3.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -40.74 -53.92 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -70.15 141.12 88.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 175.26 11.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.74 -54.4 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 5.6 p-80 -41.08 -54.49 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 28' ' ' PRO . 10.9 mt -59.22 -59.49 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG23 HG22 ' A' ' 27' ' ' VAL . 3.7 t -40.59 -63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.5 mt -41.57 -66.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.564 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.91 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -45.09 -38.4 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -60.4 -44.3 95.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.646 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -64.28 -11.61 33.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -103.0 -62.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -65.95 -42.59 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.5 mmm180 61.01 40.17 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.1 m -172.89 103.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.583 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -40.11 -29.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.7 mt-10 -66.18 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.8 mt -59.64 -21.31 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.025 HG21 HD12 ' A' ' 36' ' ' LEU . 5.6 m -71.09 -49.88 39.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' HD12 ' A' ' 49' ' ' ILE . 22.4 p -71.43 -32.06 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -23.57 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB2' HD12 ' A' ' 54' ' ' ILE . 2.6 m120 -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -82.85 -56.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.765 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.12 -43.34 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.08 -29.03 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 89.23 89.45 1.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.9 -57.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.797 . . . . 0.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.6 mt -69.31 95.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -113.43 105.59 13.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.2 t -127.91 91.12 45.86 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.04 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.94 138.6 54.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 m 47.78 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.13 81.31 0.2 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -75.97 124.98 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -157.3 84.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.52 170.25 24.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.12 -63.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.4 p -72.28 146.36 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 61.38 153.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.91 89.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.4 mm-40 -82.87 -60.15 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.708 HD23 HD23 ' A' ' 36' ' ' LEU . 1.8 mt -46.28 -54.92 8.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -40.57 -39.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -65.49 -51.21 61.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.642 ' SD ' HG13 ' A' ' 42' ' ' VAL . 22.7 mtm -47.82 -54.87 11.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.75 -63.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.09 -63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -40.97 -45.68 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.704 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.0 mt -66.06 -56.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tm0? -38.4 -41.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.07 -58.49 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.46 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 10.4 mtm -68.45 -39.44 81.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.7 m-85 -126.74 79.19 72.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.59 4.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -42.81 -53.71 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 10.1 p -66.23 140.99 97.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' HD11 ' A' ' 33' ' ' LEU . 8.5 t80 -62.51 -47.47 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -42.63 -55.15 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' A' ' 28' ' ' PRO . 26.5 mt -60.44 -54.97 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -42.23 -63.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 29' ' ' TYR . 17.7 mt -45.09 -68.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -38.93 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' OD1' HD11 ' A' ' 54' ' ' ILE . 4.5 t70 -44.72 -40.8 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.53 -42.66 92.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.739 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.2 mm-40 -66.42 -9.89 38.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.739 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -105.5 -59.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 p -70.48 -43.21 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 62.03 39.08 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.5 m -172.12 103.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.704 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.98 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.3 tt0 -64.08 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.74 -19.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.052 HG21 HD12 ' A' ' 36' ' ' LEU . 6.7 m -71.39 -50.58 30.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.807 ' HA ' HD12 ' A' ' 49' ' ' ILE . 24.2 p -70.21 -32.47 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -25.33 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.482 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.4 m120 -81.18 -35.89 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -81.75 -57.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.58 -43.99 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.53 -29.0 21.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.82 92.88 1.01 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -131.86 -53.67 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD12 ' HB2' ' A' ' 48' ' ' ASN . 9.0 mt -70.46 94.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -116.67 132.91 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.58 89.99 29.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.88 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.971 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -141.65 118.78 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -122.12 87.07 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.45 -129.19 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 62.89 114.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 m -40.52 108.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.18 -172.45 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.87 157.08 43.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -53.64 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -50.4 145.07 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -169.37 106.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -81.59 -29.74 33.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.619 HD23 HD23 ' A' ' 36' ' ' LEU . 1.5 mt -65.29 -17.05 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -68.9 -51.36 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -57.4 -59.49 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.571 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.3 mtp -37.73 -46.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.98 -54.04 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 1.6 t-80 -51.06 -64.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -41.23 -42.51 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.1 mt -65.97 -54.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 2.2 tp-100 -39.69 -46.17 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 17.4 mt-10 -51.85 -56.9 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 13.5 mtm -69.62 -45.81 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 m-85 -125.11 78.26 66.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -74.99 -33.47 4.56 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -39.91 -47.43 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 24' ' ' PHE . 11.8 p -72.59 140.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.95 159.48 41.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -68.13 -53.31 26.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -40.35 -59.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.28 -59.91 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' PRO . 40.0 t -40.89 -62.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.0 mt -40.86 -70.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.936 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.5 -65.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.62 ' OD1' HD11 ' A' ' 54' ' ' ILE . 3.2 t70 -43.34 -44.44 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.032 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.07 -44.18 82.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.1 mt-30 -64.45 -11.35 32.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.936 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -104.35 -61.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 p -67.2 -43.94 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mmm-85 63.18 38.36 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 104.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.702 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.98 -30.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' SER . 7.5 tt0 -64.41 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.07 -20.81 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.032 HG21 HD12 ' A' ' 36' ' ' LEU . 7.4 m -71.27 -47.7 55.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.906 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 p -71.7 -27.66 63.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -25.65 17.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.732 ' HB2' HD12 ' A' ' 54' ' ' ILE . 5.0 m120 -81.42 -24.06 37.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -92.68 -31.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -81.49 -12.03 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.08 14.59 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.15 79.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.56 1.163 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -122.28 -61.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.4 mt -78.71 94.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.66 132.85 46.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.93 91.55 26.95 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 62.32 5.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -114.02 102.7 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.45 108.87 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 -142.18 8.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.09 155.59 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -58.81 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.05 148.89 17.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.13 70.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -78.45 90.03 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 60.43 97.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -132.87 83.06 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -66.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.65 HD23 ' CE ' ' A' ' 16' ' ' MET . 26.4 mt -41.04 -44.78 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' HA ' HD21 ' A' ' 33' ' ' LEU . 7.9 t30 -58.12 -62.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.44 -56.92 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.65 ' CE ' HD23 ' A' ' 13' ' ' LEU . 34.2 mtm -40.09 -52.59 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -43.2 -60.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -57.26 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.74 -43.89 13.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 42' ' ' VAL . 87.3 mt -70.35 -56.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -38.44 -35.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.2 -56.78 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 36.5 mtm -71.34 -42.5 68.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 3.6 m-85 -124.75 78.37 64.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.47 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -40.7 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 28' ' ' PRO . 5.0 p -64.05 141.9 98.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 148.16 35.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.64 -56.95 15.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -40.55 -61.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.831 HD12 ' HG2' ' A' ' 28' ' ' PRO . 16.8 mt -49.97 -59.33 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 27' ' ' VAL . 8.7 t -42.74 -62.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 14' ' ' ASN . 19.7 mt -42.5 -63.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.93 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.7 t70 -44.58 -44.47 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.112 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -56.11 -41.89 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.781 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.3 mt-30 -66.61 -9.56 36.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.36 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 p -72.77 -43.38 62.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 64.3 38.8 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.46 108.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.604 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -42.44 -28.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.1 tt0 -66.11 -71.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.23 -20.72 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.112 HG21 HD12 ' A' ' 36' ' ' LEU . 79.4 m -73.99 -50.49 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.4 p -65.39 -30.11 70.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -29.05 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.594 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.9 m120 -76.67 -25.05 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.6 mt -93.49 -60.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.71 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.46 -50.56 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.44 -26.34 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 84.31 105.0 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -145.44 -54.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.698 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 mt -73.16 94.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.85 125.52 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 54' ' ' ILE . 68.8 t -124.2 89.46 51.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.33 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -152.8 140.41 19.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -72.17 156.25 39.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.65 69.96 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.18 91.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.785 . . . . 0.0 109.988 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -142.2 126.51 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.49 85.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.72 166.29 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.1 m -77.3 82.39 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.56 -63.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.2 m 48.66 89.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.79 -34.56 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.004 HD23 HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -62.07 -54.69 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.8 -36.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.75 35.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 36' ' ' LEU . 20.9 mtm -49.15 -42.71 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.82 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -45.79 -57.04 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -38.82 -52.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 42' ' ' VAL . 42.1 mt -66.14 -54.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -38.13 -42.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.25 -63.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 22.1 mtm -66.16 -37.39 85.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -128.7 79.91 73.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.45 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.43 -54.0 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 ' HD2' ' A' ' 28' ' ' PRO . 4.1 p -64.15 142.19 98.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.03 156.2 42.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -67.37 -45.27 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -50.72 -58.87 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD12 ' HG2' ' A' ' 28' ' ' PRO . 34.4 mt -52.16 -55.37 21.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 28' ' ' PRO . 43.7 t -44.37 -62.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.9 mt -42.95 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.82 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' OD1' HD11 ' A' ' 54' ' ' ILE . 1.6 t70 -45.39 -41.77 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.036 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.59 -42.35 87.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.744 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -67.09 -8.88 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -105.27 -59.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.4 p -70.53 -39.89 73.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 59.22 40.34 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.5 m -173.54 103.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.0 ' O ' HG23 ' A' ' 46' ' ' THR . 3.7 m -38.86 -34.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' SER . 3.1 tt0 -59.18 -69.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -57.54 -18.56 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.036 HG21 HD12 ' A' ' 36' ' ' LEU . 10.7 m -72.5 -54.05 10.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.0 HG23 ' O ' ' A' ' 42' ' ' VAL . 29.4 p -64.43 -36.05 82.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.66 -24.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.487 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.3 m120 -79.43 -39.85 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.9 mt -78.97 -51.08 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -51.35 -24.33 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.0 mt-10 -114.53 21.74 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.48 84.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.5 mmt180 -121.66 -48.43 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt -85.65 97.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.41 114.18 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.12 91.24 49.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 84.5 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.68 166.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -161.12 -58.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.01 -141.82 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 66.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.988 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.9 165.77 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.71 -108.35 2.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.35 163.13 21.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 0.727 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -168.92 158.98 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.39 139.19 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 97.74 5.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -87.41 -66.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 36' ' ' LEU . 1.1 mt -41.72 -43.4 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.787 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.9 t-20 -48.27 -47.16 36.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' GLN . . . -63.39 -51.87 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 24.0 mtm -47.12 -44.32 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -54.38 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -62.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -46.89 -44.84 20.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.705 HD11 ' CB ' ' A' ' 42' ' ' VAL . 99.4 mt -62.91 -46.87 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.89 -39.7 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.66 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.9 mtm -60.66 -33.35 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.3 m-85 -133.68 81.71 52.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.54 -52.22 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.9 p -69.3 140.81 90.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.739 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 158.91 42.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.16 -54.94 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 18.3 p80 -41.03 -41.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD12 ' HG2' ' A' ' 28' ' ' PRO . 9.3 mt -68.94 -60.14 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG13 HD13 ' A' ' 36' ' ' LEU . 12.2 t -42.63 -57.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.9 mt -40.56 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.7 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -39.58 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.24 -41.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.056 HD12 HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -57.69 -43.99 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.8 mt-30 -65.82 -9.96 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -105.12 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -66.02 -36.42 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 54.31 37.65 27.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.8 m -171.86 102.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.969 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.705 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.91 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.4 tt0 -62.11 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.71 -19.79 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.056 HG21 HD12 ' A' ' 36' ' ' LEU . 5.1 m -71.61 -49.93 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.899 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 p -71.82 -31.53 66.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.338 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 11.6 t0 -49.22 -29.67 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.7 m120 -76.64 -34.11 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -80.53 -39.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -70.21 -18.9 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 3.7 pt-20 -118.36 14.39 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.74 89.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.73 -48.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -85.51 99.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -90.24 129.4 36.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.11 155.63 12.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 55.11 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.72 90.19 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.75 98.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.55 148.92 14.65 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.01 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -106.72 168.9 8.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.5 76.06 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.83 159.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.27 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -78.5 141.34 38.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.81 -57.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 52.7 p -124.97 80.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -54.99 -57.56 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.697 HD23 HD23 ' A' ' 36' ' ' LEU . 1.2 mt -43.67 -30.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 33' ' ' LEU . 6.1 t30 -56.49 -55.83 28.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -52.07 -62.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.645 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.6 mtp -37.42 -51.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -44.72 -55.83 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -61.32 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -38.77 -48.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 32.4 mt -63.84 -49.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 2.5 tm0? -38.65 -43.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.56 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 19.3 mtm -65.17 -50.48 65.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 5.0 m-85 -122.15 77.52 42.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.02 -32.5 5.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -40.63 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.4 p -64.41 143.09 98.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 160.91 39.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.43 -52.52 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -40.05 -61.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.614 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 28' ' ' PRO . 28.7 mt -53.64 -57.72 9.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 28' ' ' PRO . 42.8 t -41.0 -61.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.5 mt -43.4 -67.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.52 -66.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.9 t70 -42.84 -45.32 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.22 -44.15 88.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.75 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.7 mt-30 -64.16 -11.28 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.1 mt -103.83 -63.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 63.3 p -66.71 -42.85 85.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 62.78 40.1 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.4 m -170.25 102.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 46' ' ' THR . 3.9 m -39.58 -31.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 mt-10 -66.56 -56.14 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.1 mt -65.68 -16.23 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.876 HG21 HD12 ' A' ' 36' ' ' LEU . 1.8 m -71.36 -54.21 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 42' ' ' VAL . 26.0 p -64.4 -35.07 79.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 2.1 m-20 -48.35 -24.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 7.3 m120 -81.19 -38.62 26.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.81 -56.15 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -39.59 -47.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 2.7 pt-20 -86.49 -26.66 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 86.15 93.72 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -129.64 -52.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.448 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.0 mt -70.17 96.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.19 81.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -129.44 90.84 43.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 65.17 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.3 135.06 57.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.95 88.77 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.42 63.87 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -133.86 112.52 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m 57.85 162.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.17 -128.64 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.0 85.42 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -79.58 94.58 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 59.8 m-80 -77.93 -60.0 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.25 -57.41 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -65.13 -69.78 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 HD23 HD23 ' A' ' 36' ' ' LEU . 1.2 mt -53.02 -26.25 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -60.27 -51.96 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.62 -57.92 10.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.655 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.1 mtp -39.35 -44.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.8 -59.54 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -57.29 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -43.2 -39.32 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 42' ' ' VAL . 97.5 mt -73.67 -50.76 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -39.02 -40.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.84 -58.79 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.519 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtm -68.36 -48.44 64.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -123.2 77.56 52.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -41.6 -54.07 3.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -64.62 142.64 98.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 155.09 42.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.77 -48.95 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -41.46 -61.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD12 ' HG2' ' A' ' 28' ' ' PRO . 14.0 mt -53.84 -56.46 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PRO . 49.8 t -40.47 -61.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.75 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.902 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.87 -65.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 54' ' ' ILE . 18.3 t70 -43.65 -45.02 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.894 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.62 -42.63 88.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.795 ' C ' HD23 ' A' ' 38' ' ' LEU . 31.3 mt-30 -66.22 -9.45 32.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.902 HD11 ' OE1' ' A' ' 34' ' ' GLN . 1.1 mt -105.64 -60.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -69.68 -40.69 76.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER 59.45 41.18 19.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.752 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.5 m -171.45 102.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.69 -31.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.072 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 41' ' ' SER . 29.4 tt0 -65.03 -56.34 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.752 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -66.36 -17.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.894 HG21 HD12 ' A' ' 36' ' ' LEU . 2.0 m -69.77 -51.63 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.755 ' HB ' HD12 ' A' ' 50' ' ' LEU . 63.8 p -66.51 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.64 -22.26 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.585 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.6 m120 -84.18 -30.86 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.2 mt -88.68 -58.04 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.755 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.65 -49.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.86 -28.45 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.6 103.24 0.78 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -143.59 -51.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.3 mt -75.04 97.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.67 114.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG13 ' HD2' ' A' ' 57' ' ' PRO . 77.7 t -70.88 142.94 88.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.692 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p 55.37 169.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 179.74 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.67 -127.85 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.0 79.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -151.27 135.87 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.89 -75.21 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.82 80.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.342 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -170.14 -53.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 159.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -80.3 93.23 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -62.88 -44.53 95.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 11.2 mt -43.09 -41.04 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.75 -57.55 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.763 ' HB3' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -41.63 -59.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.17 -64.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.48 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -40.58 -48.14 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 42' ' ' VAL . 83.4 mt -64.98 -52.0 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 1.4 tp60 -38.62 -39.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.12 -63.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtp -59.75 -46.94 87.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 27' ' ' VAL . 35.5 m-85 -124.96 77.73 66.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -26.8 10.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.99 -53.94 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' HD2' ' A' ' 28' ' ' PRO . 6.8 p -65.04 141.51 98.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.99 143.97 29.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 33' ' ' LEU . 13.4 t80 -56.34 -53.79 53.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -41.26 -52.61 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 28' ' ' PRO . 8.5 mt -61.36 -54.55 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -42.1 -64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -40.6 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.95 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -43.96 -42.89 6.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.883 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.43 -43.49 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.675 ' C ' HD23 ' A' ' 38' ' ' LEU . 16.1 mt-30 -64.91 -10.7 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.81 -62.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 p -66.58 -39.88 88.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 58.65 41.11 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.697 ' CB ' HD12 ' A' ' 44' ' ' ILE . 2.7 m -172.79 99.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -38.91 -31.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -64.94 -56.95 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.697 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.07 -17.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.883 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -68.92 -50.18 51.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' VAL . 20.0 p -67.85 -30.52 69.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -22.1 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 53' ' ' ARG . 9.6 m120 -84.74 -45.36 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.11 -50.65 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -49.96 -24.91 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.8 mt-10 -118.5 22.68 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.79 82.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -113.45 -47.42 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.0 mt -84.55 99.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -80.08 115.82 19.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.868 HG22 ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -40.26 147.59 0.36 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.96 76.21 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -43.65 162.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.054 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 58.54 168.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.12 -133.38 1.66 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t 61.74 80.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -138.3 88.69 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.38 73.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.66 72.71 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 81.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.65 100.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -116.22 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -97.01 -55.99 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.888 HD23 ' HE2' ' A' ' 16' ' ' MET . 79.4 mt -44.1 -41.96 5.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.644 ' HA ' HD21 ' A' ' 33' ' ' LEU . 5.3 m-80 -56.62 -50.16 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -55.78 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.888 ' HE2' HD23 ' A' ' 13' ' ' LEU . 29.4 mtm -41.65 -51.51 4.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -47.23 -60.31 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.33 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.563 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -39.24 -48.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.571 HD11 ' CB ' ' A' ' 42' ' ' VAL . 44.5 mt -65.28 -55.56 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.82 -48.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.92 -61.81 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.7 mtm -61.19 -40.32 93.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -128.5 79.55 74.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -34.71 3.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -42.4 -38.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.8 p -81.86 141.13 47.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -75.01 156.25 42.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 1.5 t80 -70.41 -50.11 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.608 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 27.7 p80 -41.38 -57.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' CE1' ' A' ' 30' ' ' HIS . 8.0 mt -57.76 -59.51 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -40.49 -61.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 14' ' ' ASN . 13.1 mt -41.37 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.785 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.47 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.03 -39.91 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.077 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -58.37 -44.52 88.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.594 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.6 mt-30 -63.96 -11.66 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -104.32 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.6 p -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.07 39.3 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.665 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.4 t -168.6 103.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 16' ' ' MET . 3.4 m -42.24 -28.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.6 tt0 -69.85 -56.33 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.665 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.6 mt -66.71 -23.62 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.077 HG21 HD12 ' A' ' 36' ' ' LEU . 4.2 m -69.25 -48.67 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.913 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -72.17 -30.55 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -23.94 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.654 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.2 m120 -83.01 -31.48 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -84.13 -45.04 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -60.45 -15.72 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.7 12.55 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.94 76.91 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.4 mtm180 -116.28 -50.99 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 48' ' ' ASN . 10.0 mt -77.67 93.6 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.03 141.7 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 31' ' ' LEU . 54.2 t -123.6 90.77 50.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.09 6.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -48.41 134.34 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.43 87.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.29 -115.44 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m 57.81 104.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.765 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.8 150.82 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.032 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.66 86.77 1.04 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -113.44 150.14 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.76 143.08 29.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -158.39 96.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mt-30 -77.11 -56.64 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 36' ' ' LEU . 1.1 mt -43.5 -32.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.3 t-20 -57.14 -48.62 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' GLN . . . -59.44 -62.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.558 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -37.4 -52.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.72 -53.29 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -42.34 -43.9 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 42' ' ' VAL . 93.6 mt -66.54 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' N ' ' A' ' 29' ' ' TYR . 3.2 tp60 -38.35 -42.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.17 -53.91 51.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtm -73.24 -35.55 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.7 m-85 -128.95 78.41 76.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -33.42 4.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.7 pt20 -45.65 -39.61 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 24' ' ' PHE . 6.2 p -80.81 141.18 51.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.78 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.04 151.28 39.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.5 t80 -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -39.98 -56.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.78 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.3 mt -56.22 -57.4 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 28' ' ' PRO . 51.8 t -41.87 -63.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -41.87 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -38.88 -68.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -44.15 -43.77 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.73 -42.51 83.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.769 ' C ' HD23 ' A' ' 38' ' ' LEU . 22.8 mt-30 -66.53 -9.51 35.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.15 -59.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 p -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.66 39.03 18.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.6 m -173.45 103.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -39.09 -34.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.88 -67.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.34 -18.64 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 36' ' ' LEU . 8.3 m -72.94 -55.05 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 42' ' ' VAL . 33.0 p -61.54 -36.83 81.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -46.6 -27.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.1 m120 -77.13 -41.35 42.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.7 mt -77.19 -54.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -46.37 -58.46 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.63 -29.12 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.83 87.26 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.94 -64.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.628 ' CG2' HD13 ' A' ' 31' ' ' LEU . 9.2 mt -63.72 95.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -74.17 130.61 40.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.632 HG21 ' HD3' ' A' ' 28' ' ' PRO . 78.0 t -114.74 92.12 28.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.29 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 66.03 117.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.86 -159.21 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -57.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.947 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -167.87 149.53 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.55 -155.59 16.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.52 144.32 25.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -159.85 137.2 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -49.35 168.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 1.1 m 61.33 36.08 17.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -97.24 -24.4 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -73.86 -56.67 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -39.69 -57.09 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.35 -56.7 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.8 mtm -46.83 -57.93 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HD22 ' A' ' 36' ' ' LEU . . . -53.23 -57.84 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -41.36 -51.62 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -52.64 -41.38 63.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 42' ' ' VAL . 13.4 mt -74.37 -49.4 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -39.88 -39.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -47.46 77.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.514 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 mtm -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.0 m-85 -136.8 80.5 36.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.29 3.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -42.96 -53.93 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -64.21 142.72 98.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.96 142.35 27.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE2' HD11 ' A' ' 33' ' ' LEU . 9.0 t80 -62.43 -52.8 62.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.591 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 15.0 p-80 -39.6 -57.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.547 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 5.9 mt -59.01 -57.99 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 27' ' ' VAL . 54.4 t -41.21 -63.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.66 HD11 ' CE2' ' A' ' 29' ' ' TYR . 18.1 mt -40.1 -66.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -70.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -41.75 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 45' ' ' THR . 2.9 tp -49.92 -67.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' HD11 ' A' ' 13' ' ' LEU . 1.4 mt-30 -41.31 -28.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.73 -64.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.3 p -51.8 -47.19 64.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 65.55 29.55 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.827 ' HB2' HD12 ' A' ' 44' ' ' ILE . 13.6 m -165.92 107.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 46' ' ' THR . 3.8 m -39.06 -34.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -66.95 -69.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.7 mt -47.38 -24.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 36' ' ' LEU . 4.3 m -69.93 -52.86 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 p -65.12 -34.96 79.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -26.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' ARG . 9.0 m120 -77.67 -38.99 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -80.94 -57.7 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -41.42 -59.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.54 -28.76 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.94 80.26 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -120.2 -58.74 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.4 mt -65.99 95.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -54.71 134.3 47.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.25 90.64 25.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 90.13 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.28 126.83 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p 179.69 116.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.85 131.13 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 m -65.95 148.43 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.05 105.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 -127.1 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.36 101.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 109.367 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -45.54 -57.66 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.09 137.69 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -164.84 87.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.43 -53.17 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CE ' ' A' ' 16' ' ' MET . 45.6 mt -47.25 -38.07 11.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.13 -59.87 4.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.41 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.577 ' CE ' HD23 ' A' ' 13' ' ' LEU . 22.7 mtm -45.89 -60.21 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' MET . . . -40.18 -60.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -40.06 -64.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.565 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.07 -42.81 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.724 HD11 ' CB ' ' A' ' 42' ' ' VAL . 87.9 mt -68.36 -60.91 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.8 -42.11 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 4.5 mm-40 -57.72 -51.16 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.557 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 11.2 mtm -73.14 -45.93 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.1 m-85 -123.43 77.38 54.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.53 5.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -40.73 -42.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -78.69 143.15 62.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.05 148.48 35.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 2.7 t80 -59.99 -47.25 86.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -43.62 -55.91 4.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.651 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.7 mt -58.43 -59.1 5.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG23 HG22 ' A' ' 27' ' ' VAL . 18.2 t -41.75 -64.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 29' ' ' TYR . 10.7 mt -41.39 -68.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -39.0 -68.3 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -43.13 -45.31 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.097 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -55.09 -44.73 75.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mt-30 -64.35 -11.03 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.729 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -104.65 -63.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.54 39.91 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.3 m -173.42 102.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.724 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.1 m -39.5 -30.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.9 tt0 -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -59.55 -21.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.097 HG21 HD12 ' A' ' 36' ' ' LEU . 7.6 m -71.56 -48.18 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.922 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -71.19 -28.86 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -23.98 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.68 ' HB2' HD12 ' A' ' 54' ' ' ILE . 4.9 m120 -82.98 -26.5 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.9 mt -89.85 -36.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.76 -12.94 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -119.24 13.54 12.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 81.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.85 -54.18 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.763 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.68 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.5 mt -80.86 95.43 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.2 138.42 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -73.04 114.05 27.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 70.16 5.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -148.45 -58.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -118.6 81.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.85 -130.49 8.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 65.13 93.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 109.984 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m 55.47 93.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.4 -114.01 1.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 117.64 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.73 163.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 61.08 98.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m -77.76 85.43 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.19 -34.46 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD23 HD23 ' A' ' 36' ' ' LEU . 1.4 mt -56.7 -51.26 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.0 -49.35 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.33 36.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.7 mtm -43.19 -52.24 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' ' CE1' ' A' ' 29' ' ' TYR . . . -50.0 -57.05 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -45.58 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -45.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.721 HD11 ' CB ' ' A' ' 42' ' ' VAL . 78.4 mt -69.05 -53.53 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.598 ' OE1' ' CD2' ' A' ' 29' ' ' TYR . 4.3 tp60 -38.32 -40.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.04 -64.0 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 mtp -57.8 -49.39 76.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 46' ' ' THR . 52.3 m-85 -123.44 77.97 54.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.419 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.4 Cg_endo -74.97 -30.92 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -41.02 -52.88 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -67.36 142.83 96.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.826 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.95 148.91 36.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.598 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 1.1 t80 -63.06 -53.05 59.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -40.12 -51.07 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.826 HD12 ' HG2' ' A' ' 28' ' ' PRO . 19.5 mt -64.9 -54.63 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' PRO . 54.2 t -41.23 -61.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 mt -44.25 -67.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.44 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.87 -43.48 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -57.1 -43.29 82.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.713 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mm-40 -65.29 -10.56 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.713 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -105.25 -61.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 p -66.79 -38.42 86.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 55.81 42.36 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.708 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.0 m -173.12 100.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.721 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -38.94 -31.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.9 mt-10 -65.41 -56.77 10.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.03 -17.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.949 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -70.29 -52.71 20.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 49' ' ' ILE . 34.8 p -67.09 -34.41 77.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -24.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.6 m120 -82.54 -38.98 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -77.48 -51.74 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -52.02 -21.77 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.58 21.09 13.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.28 83.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ASN . 2.3 mtt-85 -120.68 -47.68 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt -88.42 95.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -125.46 116.7 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 2.5 t -133.08 136.58 27.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.96 84.04 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -127.9 102.7 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -154.74 165.91 35.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.78 -79.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m 52.9 94.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -167.95 118.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.19 64.2 3.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.46 132.62 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.02 165.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -73.09 151.86 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.45 -54.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' C ' ' SD ' ' A' ' 16' ' ' MET . 21.1 mp0 -57.31 -56.69 18.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD12 ' NE2' ' A' ' 37' ' ' GLN . 8.2 mt -50.91 -52.41 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -46.4 -58.71 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.77 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.85 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.0 mtp -39.61 -55.13 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.58 -63.03 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.08 -62.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -40.83 -48.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' A' ' 42' ' ' VAL . 63.5 mt -67.3 -50.0 66.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.95 -41.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.05 -63.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.417 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 72.6 mtm -60.29 -46.48 89.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.649 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.8 m-85 -125.45 77.11 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.01 -30.13 7.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -42.65 -39.54 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 24' ' ' PHE . 4.9 p -78.79 141.91 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.907 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 147.8 34.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CE2' HD11 ' A' ' 33' ' ' LEU . 24.0 t80 -62.48 -51.95 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -42.24 -57.48 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.907 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.8 mt -57.8 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 28' ' ' PRO . 53.5 t -40.46 -61.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 29' ' ' TYR . 15.1 mt -41.34 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.52 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 -45.32 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.919 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -55.09 -46.07 75.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm-40 -62.05 -13.11 23.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.09 -63.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 p -62.24 -41.04 98.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.87 42.57 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.831 ' CB ' HD12 ' A' ' 44' ' ' ILE . 8.5 t -171.81 97.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -39.14 -30.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.0 tt0 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.831 HD12 ' CB ' ' A' ' 41' ' ' SER . 5.9 mt -68.3 -19.52 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 36' ' ' LEU . 1.3 m -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' VAL . 22.1 p -67.28 -30.72 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -22.0 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 9.7 m120 -84.76 -44.77 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.74 -50.99 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.12 -27.53 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -110.35 21.3 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.02 78.84 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 4.1 mmm180 -113.85 -46.46 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -83.11 95.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.19 96.68 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.7 t -130.99 91.71 35.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.33 5.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.12 102.25 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -52.9 168.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.66 -113.44 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.0 132.46 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 p -64.56 118.8 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 126.9 5.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.65 69.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.02 168.03 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -77.94 -52.69 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 44.09 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -54.83 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -47.53 -46.18 27.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.3 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.31 -61.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.761 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.5 mtp -41.95 -60.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.49 -58.37 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -60.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.35 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 42' ' ' VAL . 75.0 mt -65.95 -59.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.88 -44.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.55 -59.18 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -69.33 -36.89 77.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.4 m-85 -124.77 76.35 65.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.9 pt20 -44.06 -39.05 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.0 p -80.69 140.93 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.97 141.26 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.7 t80 -57.96 -50.41 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -40.06 -68.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.627 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 31' ' ' LEU . 12.7 mt -47.98 -58.01 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 27' ' ' VAL . 3.3 t -41.97 -60.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 18.9 mt -40.6 -70.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.985 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.32 -69.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -43.0 -38.5 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.017 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.9 OUTLIER -58.44 -49.79 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.586 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.6 mm-40 -61.99 -12.96 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.985 HD11 ' OE1' ' A' ' 34' ' ' GLN . 2.1 mt -97.41 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 44.7 p -62.96 -39.73 95.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 60.78 38.59 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.8 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.7 m -171.94 106.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.877 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.8 m -41.7 -28.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -69.21 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -59.17 -25.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.017 HG21 ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -68.51 -51.05 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.837 ' HA ' HD12 ' A' ' 49' ' ' ILE . 19.6 p -69.41 -32.48 71.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -25.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.57 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.5 m120 -81.93 -36.4 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.78 -57.15 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.775 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.14 -53.41 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -28.7 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.49 93.13 0.89 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -132.38 -57.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.8 mt -69.72 95.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -127.13 116.67 21.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 57' ' ' PRO . 77.7 t -130.67 142.92 47.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.98 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 125.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -176.37 142.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.1 125.35 2.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.93 158.06 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 110.058 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t 51.85 82.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.24 -140.48 15.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.14 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p 47.1 85.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.48 135.6 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -107.01 103.32 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -85.27 -56.05 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 36' ' ' LEU . 1.2 mt -44.72 -31.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -54.19 -58.15 8.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -53.53 -61.43 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.677 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.2 mtp -37.56 -48.81 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -50.47 -60.43 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -60.14 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -42.56 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.681 HD11 ' CB ' ' A' ' 42' ' ' VAL . 86.5 mt -70.93 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -38.65 -35.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.65 -51.15 69.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . 25.6 mtm -81.27 -24.97 36.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.4 m-85 -134.18 78.57 58.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -34.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -43.01 -50.53 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.3 p -72.66 140.61 81.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.05 155.52 42.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -65.51 -47.07 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -44.41 -59.13 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.602 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD12 ' HG2' ' A' ' 28' ' ' PRO . 13.6 mt -53.08 -59.03 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 t -41.6 -61.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.48 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.607 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.815 ' OD2' HD11 ' A' ' 54' ' ' ILE . 10.1 t70 -42.23 -46.69 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -57.67 -44.84 86.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.797 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.0 mm-40 -63.73 -11.2 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -104.88 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -66.73 -42.44 86.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.0 mmm180 63.44 39.14 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.4 m -170.08 103.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -40.18 -33.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' SER . 9.7 tt0 -61.64 -66.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.61 -14.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.99 HG21 HD12 ' A' ' 36' ' ' LEU . 60.6 m -75.66 -54.13 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.1 p -63.83 -34.8 78.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.35 -25.7 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.7 m120 -78.69 -35.45 45.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.5 mt -84.64 -57.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -40.03 -57.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.05 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.36 102.29 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -141.26 -54.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.815 HD11 ' OD2' ' A' ' 35' ' ' ASP . 8.5 mt -70.84 94.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.57 126.05 22.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ILE . 58.7 t -119.35 82.19 23.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 58.65 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.7 t80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -139.18 -57.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -155.0 144.96 21.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.24 -63.19 0.91 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.71 136.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -104.21 85.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.36 -74.38 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 160.44 21.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 t -149.5 89.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.37 127.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 88.1 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -71.5 -34.15 69.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 36' ' ' LEU . 1.5 mt -55.6 -31.7 62.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -53.47 -56.92 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.668 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.3 mtp -37.45 -58.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.87 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -38.71 -43.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 HG12 ' A' ' 42' ' ' VAL . 11.4 mt -70.96 -50.12 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -42.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 7.5 mtm -60.69 -41.9 96.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -126.8 78.47 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.72 3.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 2.9 pt20 -41.36 -38.97 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.2 p -80.59 141.24 52.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -74.98 159.37 41.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -72.41 -51.93 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.608 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 31.1 p80 -39.99 -56.31 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' CE1' ' A' ' 30' ' ' HIS . 9.5 mt -59.93 -55.6 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' PRO . 5.6 t -41.27 -64.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.0 mt -44.55 -65.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -39.51 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.02 -37.8 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.947 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.66 -43.41 93.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.603 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.2 mt-30 -65.64 -9.88 31.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -105.99 -62.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -66.5 -36.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 6.1 mmm180 51.64 42.04 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.688 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.1 m -173.42 98.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.767 HG12 HD11 ' A' ' 20' ' ' ILE . 4.1 m -38.83 -30.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.9 tt0 -63.77 -54.59 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 41' ' ' SER . 4.9 mt -70.83 -15.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.947 HG21 HD12 ' A' ' 36' ' ' LEU . 1.2 m -71.49 -54.61 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 49' ' ' ILE . 18.0 p -67.35 -35.49 79.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -46.3 -25.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.1 m120 -81.99 -41.26 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -73.53 -45.3 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -61.34 -17.1 52.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.02 17.73 13.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.23 78.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.69 -50.41 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt -86.17 98.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -125.01 73.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 56' ' ' VAL . 74.1 t 47.04 76.38 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 58.86 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -169.13 168.92 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -166.87 156.23 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.84 -151.1 6.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.59 105.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -132.08 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.34 163.2 23.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.87 155.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -124.58 98.06 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -160.87 112.84 1.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 14' ' ' ASN . 11.8 m -162.95 99.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -54.87 -51.6 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.1 mp -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -45.37 -49.62 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.04 -57.53 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' HD21 ' A' ' 36' ' ' LEU . 2.6 mtp -44.82 -47.68 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -45.87 -54.84 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -47.93 -60.14 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -42.24 -48.08 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.862 HD11 ' HA ' ' A' ' 42' ' ' VAL . 38.9 mt -62.04 -46.03 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 25' ' ' PRO . 3.0 tp60 -46.52 -50.33 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.14 -31.61 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -88.67 -47.7 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 7.2 m-85 -126.14 71.88 70.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.03 -34.39 3.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -44.41 -39.55 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -75.17 165.35 54.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.94 154.9 43.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 1.063 ' CE2' HD11 ' A' ' 33' ' ' LEU . 27.1 t80 -82.67 -43.65 16.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -49.81 -64.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.583 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 28' ' ' PRO . 27.9 mt -44.81 -59.64 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.36 -57.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.063 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -50.23 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.974 ' OE1' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.84 -59.7 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' HD11 ' A' ' 54' ' ' ILE . 4.0 t70 -44.62 -43.21 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -57.69 -41.71 82.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.73 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.9 mt-30 -67.0 -9.68 41.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.974 HD21 ' OE1' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -106.16 -57.48 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -72.08 -42.68 65.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.1 mpp_? 61.88 40.04 13.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.677 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.5 t -170.93 105.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.862 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.5 m -43.53 -27.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.8 tt0 -70.81 -58.4 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 41' ' ' SER . 5.2 mt -64.1 -21.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 36' ' ' LEU . 7.7 m -70.4 -49.51 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.771 ' HA ' HD12 ' A' ' 49' ' ' ILE . 23.8 p -71.67 -32.83 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -28.83 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.51 ' HB2' HD12 ' A' ' 54' ' ' ILE . 3.4 m120 -76.88 -37.62 55.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.1 mt -79.66 -58.57 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -39.85 -54.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -29.03 33.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.25 112.99 2.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -151.67 -54.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 31' ' ' LEU . 8.9 mt -73.07 93.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.08 110.89 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.1 t -137.7 135.33 18.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 85.17 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.776 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -131.78 -58.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.052 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -65.27 -58.77 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.54 106.73 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -51.73 140.41 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m 63.45 92.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.83 -172.32 40.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.39 86.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -91.26 91.71 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -129.0 -58.41 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB3' ' CB ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -101.67 85.94 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.2 tt0 -68.3 -67.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.799 HD23 HD23 ' A' ' 36' ' ' LEU . 1.5 mt -41.73 -51.76 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.1 t-20 -40.42 -44.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -61.66 -49.97 74.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.546 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.9 mtm -50.18 -58.45 5.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.33 -57.37 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 2.2 t-80 -43.69 -63.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.575 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -44.01 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.831 HD11 ' HA ' ' A' ' 42' ' ' VAL . 92.6 mt -67.26 -53.71 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' PRO . 1.1 tm0? -38.7 -49.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 14.4 mt-10 -49.39 -56.68 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 5.2 mtm -69.64 -37.4 76.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -131.41 80.76 66.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.5 Cg_endo -74.95 -34.04 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -39.81 -53.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -67.14 141.19 96.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.03 155.31 42.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -55.59 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.5 mt -54.53 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 36' ' ' LEU . 13.2 t -40.93 -63.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -40.97 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.647 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.76 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.234 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.04 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.938 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.45 -43.85 88.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.689 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.5 mm-40 -64.97 -10.65 30.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 54.9 p -65.58 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 5.9 mmm180 54.52 40.24 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.833 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.7 t -169.17 102.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.831 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.0 m -39.72 -30.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 tt0 -68.71 -54.51 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.5 mt -65.65 -18.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.938 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -70.52 -55.06 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.459 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 61.5 p -66.44 -37.03 84.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -26.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.7 m120 -80.73 -43.8 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -72.27 -51.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.19 -22.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.22 21.4 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.57 80.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.586 1.179 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.47 -39.07 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 mt -87.42 92.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.24 99.96 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' H ' HG13 ' A' ' 56' ' ' VAL . 2.7 m -54.54 155.09 7.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.7 3.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 -57.23 12.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.2 mtm -41.57 -52.39 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.63 -60.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 13.4 t60 -44.79 -58.95 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -43.22 -46.1 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CB ' ' A' ' 42' ' ' VAL . 65.6 mt -67.65 -56.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -38.5 -43.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mt-10 -54.19 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.482 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.1 mtm -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 m-85 -134.8 81.51 46.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -34.96 3.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -40.74 -53.92 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -70.15 141.12 88.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 175.26 11.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.74 -54.4 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 5.6 p-80 -41.08 -54.49 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 28' ' ' PRO . 10.9 mt -59.22 -59.49 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG23 HG22 ' A' ' 27' ' ' VAL . 3.7 t -40.59 -63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.5 mt -41.57 -66.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.713 ' NE2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.91 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -45.09 -38.4 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -60.4 -44.3 95.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.646 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.8 mm-40 -64.28 -11.61 33.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.713 HD11 ' NE2' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -103.0 -62.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -65.95 -42.59 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.5 mmm180 61.01 40.17 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.1 m -172.89 103.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.583 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -40.11 -29.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.7 mt-10 -66.18 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.8 mt -59.64 -21.31 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.025 HG21 HD12 ' A' ' 36' ' ' LEU . 5.6 m -71.09 -49.88 39.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' HD12 ' A' ' 49' ' ' ILE . 22.4 p -71.43 -32.06 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -23.57 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB2' HD12 ' A' ' 54' ' ' ILE . 5.9 m-20 -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -82.85 -56.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.765 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.12 -43.34 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.08 -29.03 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 89.23 89.45 1.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.9 -57.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.797 . . . . 0.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.49 -51.21 61.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.642 ' SD ' HG13 ' A' ' 42' ' ' VAL . 22.7 mtm -47.82 -54.87 11.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.75 -63.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.09 -63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -40.97 -45.68 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.704 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.0 mt -66.06 -56.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tm0? -38.4 -41.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.07 -58.49 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.46 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 10.4 mtm -68.45 -39.44 81.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.7 m-85 -126.74 79.19 72.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.59 4.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -42.81 -53.71 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 10.1 p -66.23 140.99 97.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' HD11 ' A' ' 33' ' ' LEU . 8.5 t80 -62.51 -47.47 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -42.63 -55.15 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' A' ' 28' ' ' PRO . 26.5 mt -60.44 -54.97 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -42.23 -63.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 29' ' ' TYR . 17.7 mt -45.09 -68.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -38.93 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 4.5 t70 -44.72 -40.8 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.53 -42.66 92.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.739 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.2 mm-40 -66.42 -9.89 38.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.739 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -105.5 -59.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 p -70.48 -43.21 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 62.03 39.08 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.5 m -172.12 103.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.704 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.98 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.3 tt0 -64.08 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.74 -19.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.052 HG21 HD12 ' A' ' 36' ' ' LEU . 6.7 m -71.39 -50.58 30.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.807 ' HA ' HD12 ' A' ' 49' ' ' ILE . 24.2 p -70.21 -32.47 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -25.33 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.482 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.4 m-20 -81.18 -35.89 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -81.75 -57.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.58 -43.99 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.53 -29.0 21.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.82 92.88 1.01 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -131.86 -53.67 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD12 ' HB2' ' A' ' 48' ' ' ASN . 9.0 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -57.4 -59.49 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.571 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.3 mtp -37.73 -46.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.98 -54.04 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.583 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.0 t60 -51.06 -64.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -41.23 -42.51 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.1 mt -65.97 -54.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 2.2 tp-100 -39.69 -46.17 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.583 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 17.4 mt-10 -51.85 -56.9 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 13.5 mtm -69.62 -45.81 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 m-85 -125.11 78.26 66.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -74.99 -33.47 4.56 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -39.91 -47.43 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 24' ' ' PHE . 11.8 p -72.59 140.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.95 159.48 41.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -68.13 -53.31 26.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -40.35 -59.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.28 -59.91 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' PRO . 40.0 t -40.89 -62.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 33' ' ' LEU . 13.0 mt -40.86 -70.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.936 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.5 -65.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.62 ' OD1' HD11 ' A' ' 54' ' ' ILE . 3.2 t70 -43.34 -44.44 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.032 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.07 -44.18 82.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.1 mt-30 -64.45 -11.35 32.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.936 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -104.35 -61.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 p -67.2 -43.94 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mmm-85 63.18 38.36 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 104.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.702 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.98 -30.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' SER . 7.5 tt0 -64.41 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.07 -20.81 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.032 HG21 HD12 ' A' ' 36' ' ' LEU . 7.4 m -71.27 -47.7 55.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.906 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 p -71.7 -27.66 63.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -25.65 17.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.732 ' HB2' HD12 ' A' ' 54' ' ' ILE . 11.7 m-20 -81.42 -24.06 37.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -92.68 -31.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -81.49 -12.03 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.08 14.59 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.15 79.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.56 1.163 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -122.28 -61.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' HA ' HD21 ' A' ' 33' ' ' LEU . 7.9 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.44 -56.92 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.505 ' SD ' HG13 ' A' ' 42' ' ' VAL . 34.2 mtm -40.09 -52.59 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -43.2 -60.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -57.26 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.74 -43.89 13.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 42' ' ' VAL . 87.3 mt -70.35 -56.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -38.44 -35.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.2 -56.78 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 36.5 mtm -71.34 -42.5 68.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 3.6 m-85 -124.75 78.37 64.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.47 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -40.7 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 28' ' ' PRO . 5.0 p -64.05 141.9 98.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 148.16 35.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.64 -56.95 15.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -40.55 -61.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.831 HD12 ' HG2' ' A' ' 28' ' ' PRO . 16.8 mt -49.97 -59.33 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 27' ' ' VAL . 8.7 t -42.74 -62.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 14' ' ' ASN . 19.7 mt -42.5 -63.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.93 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.7 t70 -44.58 -44.47 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.112 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -56.11 -41.89 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.781 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.3 mt-30 -66.61 -9.56 36.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.36 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 p -72.77 -43.38 62.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 64.3 38.8 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.46 108.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.604 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -42.44 -28.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.1 tt0 -66.11 -71.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.23 -20.72 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.112 HG21 HD12 ' A' ' 36' ' ' LEU . 79.4 m -73.99 -50.49 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.4 p -65.39 -30.11 70.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -29.05 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.594 ' HB2' HD12 ' A' ' 54' ' ' ILE . 23.9 m-20 -76.67 -25.05 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.6 mt -93.49 -60.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.71 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.46 -50.56 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.44 -26.34 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 84.31 105.0 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -145.44 -54.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.594 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.3 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.75 35.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 36' ' ' LEU . 20.9 mtm -49.15 -42.71 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.82 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -45.79 -57.04 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -38.82 -52.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 42' ' ' VAL . 42.1 mt -66.14 -54.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -38.13 -42.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.25 -63.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 22.1 mtm -66.16 -37.39 85.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -128.7 79.91 73.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.45 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.43 -54.0 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 ' HD2' ' A' ' 28' ' ' PRO . 4.1 p -64.15 142.19 98.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.03 156.2 42.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -67.37 -45.27 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.1 t60 -50.72 -58.87 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD12 ' HG2' ' A' ' 28' ' ' PRO . 34.4 mt -52.16 -55.37 21.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 28' ' ' PRO . 43.7 t -44.37 -62.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.9 mt -42.95 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.82 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.6 t70 -45.39 -41.77 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.036 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.59 -42.35 87.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.744 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.3 mm-40 -67.09 -8.88 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -105.27 -59.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.4 p -70.53 -39.89 73.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 59.22 40.34 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.5 m -173.54 103.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.0 ' O ' HG23 ' A' ' 46' ' ' THR . 3.7 m -38.86 -34.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' SER . 3.1 tt0 -59.18 -69.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -57.54 -18.56 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.036 HG21 HD12 ' A' ' 36' ' ' LEU . 10.7 m -72.5 -54.05 10.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 1.0 HG23 ' O ' ' A' ' 42' ' ' VAL . 29.4 p -64.43 -36.05 82.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.66 -24.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.487 ' HB2' HD12 ' A' ' 54' ' ' ILE . 21.6 m-20 -79.43 -39.85 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.9 mt -78.97 -51.08 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -51.35 -24.33 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.0 mt-10 -114.53 21.74 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.48 84.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.5 mmt180 -121.66 -48.43 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.787 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.9 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.87 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 24.0 mtm -47.12 -44.32 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -54.38 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -62.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -46.89 -44.84 20.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.705 HD11 ' CB ' ' A' ' 42' ' ' VAL . 99.4 mt -62.91 -46.87 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.89 -39.7 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.66 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.9 mtm -60.66 -33.35 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.3 m-85 -133.68 81.71 52.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.54 -52.22 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.9 p -69.3 140.81 90.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.739 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 158.91 42.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.16 -54.94 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 9.2 p-80 -41.03 -41.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD12 ' HG2' ' A' ' 28' ' ' PRO . 9.3 mt -68.94 -60.14 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG13 HD13 ' A' ' 36' ' ' LEU . 12.2 t -42.63 -57.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.9 mt -40.56 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.7 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -39.58 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 3.5 t70 -44.24 -41.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.056 HD12 HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -57.69 -43.99 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.8 mt-30 -65.82 -9.96 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -105.12 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -66.02 -36.42 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 54.31 37.65 27.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.8 m -171.86 102.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.969 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.705 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.91 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.4 tt0 -62.11 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.71 -19.79 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.056 HG21 HD12 ' A' ' 36' ' ' LEU . 5.1 m -71.61 -49.93 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.899 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 p -71.82 -31.53 66.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.338 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 11.6 t0 -49.22 -29.67 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -76.64 -34.11 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -80.53 -39.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -70.21 -18.9 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 3.7 pt-20 -118.36 14.39 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.74 89.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.73 -48.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 33' ' ' LEU . 6.1 t30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -52.07 -62.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.645 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.6 mtp -37.42 -51.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -44.72 -55.83 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -61.32 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -38.77 -48.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 32.4 mt -63.84 -49.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 2.5 tm0? -38.65 -43.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.56 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 19.3 mtm -65.17 -50.48 65.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 5.0 m-85 -122.15 77.52 42.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.02 -32.5 5.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -40.63 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.4 p -64.41 143.09 98.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 160.91 39.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.43 -52.52 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -40.05 -61.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.614 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 28' ' ' PRO . 28.7 mt -53.64 -57.72 9.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 28' ' ' PRO . 42.8 t -41.0 -61.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.5 mt -43.4 -67.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.52 -66.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.9 t70 -42.84 -45.32 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.22 -44.15 88.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.75 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.7 mt-30 -64.16 -11.28 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.1 mt -103.83 -63.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 63.3 p -66.71 -42.85 85.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 62.78 40.1 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.4 m -170.25 102.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 46' ' ' THR . 3.9 m -39.58 -31.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 mt-10 -66.56 -56.14 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.1 mt -65.68 -16.23 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.876 HG21 HD12 ' A' ' 36' ' ' LEU . 1.8 m -71.36 -54.21 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 42' ' ' VAL . 26.0 p -64.4 -35.07 79.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 2.1 m-20 -48.35 -24.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 45' ' ' THR . 25.2 m-20 -81.19 -38.62 26.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.81 -56.15 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -39.59 -47.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 2.7 pt-20 -86.49 -26.66 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 86.15 93.72 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -129.64 -52.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.448 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.62 -57.92 10.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.655 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.1 mtp -39.35 -44.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.8 -59.54 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -57.29 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -43.2 -39.32 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 42' ' ' VAL . 97.5 mt -73.67 -50.76 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -39.02 -40.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.84 -58.79 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.519 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtm -68.36 -48.44 64.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -123.2 77.56 52.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -41.6 -54.07 3.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -64.62 142.64 98.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 155.09 42.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.77 -48.95 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -41.46 -61.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD12 ' HG2' ' A' ' 28' ' ' PRO . 14.0 mt -53.84 -56.46 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PRO . 49.8 t -40.47 -61.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.75 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.902 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.87 -65.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 54' ' ' ILE . 18.3 t70 -43.65 -45.02 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.894 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.62 -42.63 88.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.795 ' C ' HD23 ' A' ' 38' ' ' LEU . 31.3 mt-30 -66.22 -9.45 32.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.902 HD11 ' OE1' ' A' ' 34' ' ' GLN . 1.1 mt -105.64 -60.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -69.68 -40.69 76.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER 59.45 41.18 19.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.752 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.5 m -171.45 102.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.69 -31.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.072 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 41' ' ' SER . 29.4 tt0 -65.03 -56.34 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.752 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -66.36 -17.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.894 HG21 HD12 ' A' ' 36' ' ' LEU . 2.0 m -69.77 -51.63 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.755 ' HB ' HD12 ' A' ' 50' ' ' LEU . 63.8 p -66.51 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.64 -22.26 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.585 ' HB2' HD12 ' A' ' 54' ' ' ILE . 21.0 m-20 -84.18 -30.86 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.2 mt -88.68 -58.04 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.755 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.65 -49.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.86 -28.45 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.6 103.24 0.78 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -143.59 -51.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.75 -57.55 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.763 ' HB3' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -41.63 -59.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.17 -64.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.48 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -40.58 -48.14 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 42' ' ' VAL . 83.4 mt -64.98 -52.0 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 1.4 tp60 -38.62 -39.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.12 -63.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtp -59.75 -46.94 87.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 27' ' ' VAL . 35.5 m-85 -124.96 77.73 66.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -26.8 10.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.99 -53.94 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' HD2' ' A' ' 28' ' ' PRO . 6.8 p -65.04 141.51 98.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.99 143.97 29.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 33' ' ' LEU . 13.4 t80 -56.34 -53.79 53.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -41.26 -52.61 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 28' ' ' PRO . 8.5 mt -61.36 -54.55 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -42.1 -64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -40.6 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.95 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.438 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 6.1 t70 -43.96 -42.89 6.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.883 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.43 -43.49 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.675 ' C ' HD23 ' A' ' 38' ' ' LEU . 16.1 mt-30 -64.91 -10.7 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.81 -62.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 p -66.58 -39.88 88.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 58.65 41.11 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.697 ' CB ' HD12 ' A' ' 44' ' ' ILE . 2.7 m -172.79 99.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -38.91 -31.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -64.94 -56.95 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.697 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.07 -17.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.883 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -68.92 -50.18 51.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' VAL . 20.0 p -67.85 -30.52 69.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -22.1 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.0 m-20 -84.74 -45.36 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.11 -50.65 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -49.96 -24.91 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.8 mt-10 -118.5 22.68 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.79 82.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -113.45 -47.42 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.644 ' HA ' HD21 ' A' ' 33' ' ' LEU . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -55.78 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.668 ' HB3' HG12 ' A' ' 42' ' ' VAL . 29.4 mtm -41.65 -51.51 4.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -47.23 -60.31 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.33 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.563 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -39.24 -48.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.571 HD11 ' CB ' ' A' ' 42' ' ' VAL . 44.5 mt -65.28 -55.56 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.82 -48.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.92 -61.81 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.7 mtm -61.19 -40.32 93.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -128.5 79.55 74.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -34.71 3.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -42.4 -38.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.8 p -81.86 141.13 47.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.513 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -75.01 156.25 42.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 1.5 t80 -70.41 -50.11 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 16.5 p-80 -41.38 -57.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 mt -57.76 -59.51 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -40.49 -61.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 14' ' ' ASN . 13.1 mt -41.37 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.785 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.47 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.03 -39.91 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.077 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -58.37 -44.52 88.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.594 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.6 mt-30 -63.96 -11.66 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -104.32 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.6 p -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.07 39.3 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.665 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.4 t -168.6 103.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 16' ' ' MET . 3.4 m -42.24 -28.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.6 tt0 -69.85 -56.33 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.665 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.6 mt -66.71 -23.62 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.077 HG21 HD12 ' A' ' 36' ' ' LEU . 4.2 m -69.25 -48.67 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.913 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -72.17 -30.55 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -23.94 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.654 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.0 m-20 -83.01 -31.48 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -84.13 -45.04 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -60.45 -15.72 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.7 12.55 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.94 76.91 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.4 mtm180 -116.28 -50.99 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 48' ' ' ASN . 10.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.563 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -59.44 -62.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.558 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -37.4 -52.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.72 -53.29 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -42.34 -43.9 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 42' ' ' VAL . 93.6 mt -66.54 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' N ' ' A' ' 29' ' ' TYR . 3.2 tp60 -38.35 -42.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.17 -53.91 51.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtm -73.24 -35.55 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.7 m-85 -128.95 78.41 76.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -33.42 4.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.7 pt20 -45.65 -39.61 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 24' ' ' PHE . 6.2 p -80.81 141.18 51.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.78 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.04 151.28 39.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.5 t80 -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -39.98 -56.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.78 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.3 mt -56.22 -57.4 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 28' ' ' PRO . 51.8 t -41.87 -63.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -41.87 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -38.88 -68.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -44.15 -43.77 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.73 -42.51 83.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.769 ' C ' HD23 ' A' ' 38' ' ' LEU . 22.8 mt-30 -66.53 -9.51 35.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.15 -59.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 p -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.66 39.03 18.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.6 m -173.45 103.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -39.09 -34.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.88 -67.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.34 -18.64 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 36' ' ' LEU . 8.3 m -72.94 -55.05 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 42' ' ' VAL . 33.0 p -61.54 -36.83 81.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -46.6 -27.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 37.6 m-20 -77.13 -41.35 42.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.7 mt -77.19 -54.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -46.37 -58.46 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.63 -29.12 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.83 87.26 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.94 -64.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.628 ' CG2' HD13 ' A' ' 31' ' ' LEU . 9.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 14' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.35 -56.7 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.8 mtm -46.83 -57.93 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HD22 ' A' ' 36' ' ' LEU . . . -53.23 -57.84 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -41.36 -51.62 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -52.64 -41.38 63.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 42' ' ' VAL . 13.4 mt -74.37 -49.4 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -39.88 -39.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -47.46 77.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.514 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 mtm -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.0 m-85 -136.8 80.5 36.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.29 3.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -42.96 -53.93 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -64.21 142.72 98.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.96 142.35 27.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE2' HD11 ' A' ' 33' ' ' LEU . 9.0 t80 -62.43 -52.8 62.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.591 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 15.0 p-80 -39.6 -57.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.547 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 5.9 mt -59.01 -57.99 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 27' ' ' VAL . 54.4 t -41.21 -63.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.66 HD11 ' CE2' ' A' ' 29' ' ' TYR . 18.1 mt -40.1 -66.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -70.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -41.75 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 45' ' ' THR . 2.9 tp -49.92 -67.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.4 mt-30 -41.31 -28.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.73 -64.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.456 HG21 HD21 ' A' ' 48' ' ' ASN . 23.3 p -51.8 -47.19 64.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 65.55 29.55 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.827 ' HB2' HD12 ' A' ' 44' ' ' ILE . 13.6 m -165.92 107.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 46' ' ' THR . 3.8 m -39.06 -34.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -66.95 -69.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.7 mt -47.38 -24.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 36' ' ' LEU . 4.3 m -69.93 -52.86 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 p -65.12 -34.96 79.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -26.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.456 HD21 HG21 ' A' ' 39' ' ' THR . 32.9 m-20 -77.67 -38.99 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -80.94 -57.7 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -41.42 -59.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.54 -28.76 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.94 80.26 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -120.2 -58.74 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.41 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.511 ' SD ' HG13 ' A' ' 42' ' ' VAL . 22.7 mtm -45.89 -60.21 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' MET . . . -40.18 -60.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -40.06 -64.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.565 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.07 -42.81 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.724 HD11 ' CB ' ' A' ' 42' ' ' VAL . 87.9 mt -68.36 -60.91 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.8 -42.11 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 4.5 mm-40 -57.72 -51.16 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.557 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 11.2 mtm -73.14 -45.93 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.1 m-85 -123.43 77.38 54.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.53 5.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -40.73 -42.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -78.69 143.15 62.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.05 148.48 35.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 2.7 t80 -59.99 -47.25 86.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -43.62 -55.91 4.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.651 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.7 mt -58.43 -59.1 5.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG23 HG22 ' A' ' 27' ' ' VAL . 18.2 t -41.75 -64.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 29' ' ' TYR . 10.7 mt -41.39 -68.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -39.0 -68.3 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 2.2 t70 -43.13 -45.31 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.097 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -55.09 -44.73 75.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mt-30 -64.35 -11.03 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.729 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -104.65 -63.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.54 39.91 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.3 m -173.42 102.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.724 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.1 m -39.5 -30.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.9 tt0 -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -59.55 -21.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.097 HG21 HD12 ' A' ' 36' ' ' LEU . 7.6 m -71.56 -48.18 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.922 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -71.19 -28.86 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -23.98 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.68 ' HB2' HD12 ' A' ' 54' ' ' ILE . 12.3 m-20 -82.98 -26.5 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.9 mt -89.85 -36.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.76 -12.94 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -119.24 13.54 12.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 81.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.85 -54.18 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.763 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.68 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.33 36.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.7 mtm -43.19 -52.24 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' ' CE1' ' A' ' 29' ' ' TYR . . . -50.0 -57.05 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -45.58 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -45.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.721 HD11 ' CB ' ' A' ' 42' ' ' VAL . 78.4 mt -69.05 -53.53 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.598 ' OE1' ' CD2' ' A' ' 29' ' ' TYR . 4.3 tp60 -38.32 -40.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.04 -64.0 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 mtp -57.8 -49.39 76.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 46' ' ' THR . 52.3 m-85 -123.44 77.97 54.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.419 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.4 Cg_endo -74.97 -30.92 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -41.02 -52.88 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -67.36 142.83 96.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.826 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.95 148.91 36.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.598 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 1.1 t80 -63.06 -53.05 59.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -40.12 -51.07 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.826 HD12 ' HG2' ' A' ' 28' ' ' PRO . 19.5 mt -64.9 -54.63 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' PRO . 54.2 t -41.23 -61.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 mt -44.25 -67.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.44 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 10.8 t70 -43.87 -43.48 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -57.1 -43.29 82.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.713 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mm-40 -65.29 -10.56 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.713 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -105.25 -61.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 p -66.79 -38.42 86.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 55.81 42.36 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.708 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.0 m -173.12 100.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.721 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -38.94 -31.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.9 mt-10 -65.41 -56.77 10.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.03 -17.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.949 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -70.29 -52.71 20.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 49' ' ' ILE . 34.8 p -67.09 -34.41 77.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -24.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.8 m-20 -82.54 -38.98 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -77.48 -51.74 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -52.02 -21.77 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.58 21.09 13.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.28 83.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ASN . 2.3 mtt-85 -120.68 -47.68 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.77 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.85 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.0 mtp -39.61 -55.13 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.58 -63.03 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.08 -62.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -40.83 -48.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' A' ' 42' ' ' VAL . 63.5 mt -67.3 -50.0 66.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.95 -41.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.05 -63.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.417 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 72.6 mtm -60.29 -46.48 89.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.649 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.8 m-85 -125.45 77.11 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.01 -30.13 7.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -42.65 -39.54 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 24' ' ' PHE . 4.9 p -78.79 141.91 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.907 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 147.8 34.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CE2' HD11 ' A' ' 33' ' ' LEU . 24.0 t80 -62.48 -51.95 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -42.24 -57.48 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.907 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.8 mt -57.8 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 28' ' ' PRO . 53.5 t -40.46 -61.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 29' ' ' TYR . 15.1 mt -41.34 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.52 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 -45.32 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.919 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -55.09 -46.07 75.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm-40 -62.05 -13.11 23.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.09 -63.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.418 HG21 HD21 ' A' ' 48' ' ' ASN . 17.5 p -62.24 -41.04 98.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.87 42.57 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.831 ' CB ' HD12 ' A' ' 44' ' ' ILE . 8.5 t -171.81 97.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -39.14 -30.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.0 tt0 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.831 HD12 ' CB ' ' A' ' 41' ' ' SER . 5.9 mt -68.3 -19.52 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 36' ' ' LEU . 1.3 m -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' VAL . 22.1 p -67.28 -30.72 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -22.0 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.3 m-20 -84.76 -44.77 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.74 -50.99 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.12 -27.53 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -110.35 21.3 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.02 78.84 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 4.1 mmm180 -113.85 -46.46 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.31 -61.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.761 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.5 mtp -41.95 -60.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.49 -58.37 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -60.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.35 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 42' ' ' VAL . 75.0 mt -65.95 -59.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.88 -44.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.55 -59.18 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -69.33 -36.89 77.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.4 m-85 -124.77 76.35 65.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.9 pt20 -44.06 -39.05 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.0 p -80.69 140.93 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.97 141.26 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.7 t80 -57.96 -50.41 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -40.06 -68.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.627 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 31' ' ' LEU . 12.7 mt -47.98 -58.01 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 27' ' ' VAL . 3.3 t -41.97 -60.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 18.9 mt -40.6 -70.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.985 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.32 -69.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.7 t70 -43.0 -38.5 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.017 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.9 OUTLIER -58.44 -49.79 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.586 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.6 mm-40 -61.99 -12.96 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.985 HD11 ' OE1' ' A' ' 34' ' ' GLN . 2.1 mt -97.41 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 44.7 p -62.96 -39.73 95.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 60.78 38.59 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.8 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.7 m -171.94 106.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.877 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.8 m -41.7 -28.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -69.21 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -59.17 -25.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.017 HG21 ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -68.51 -51.05 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.837 ' HA ' HD12 ' A' ' 49' ' ' ILE . 19.6 p -69.41 -32.48 71.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -25.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.57 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.8 m-20 -81.93 -36.4 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.78 -57.15 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.775 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.14 -53.41 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -28.7 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.49 93.13 0.89 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -132.38 -57.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.8 mt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -53.53 -61.43 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.677 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.2 mtp -37.56 -48.81 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -50.47 -60.43 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -60.14 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -42.56 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.681 HD11 ' CB ' ' A' ' 42' ' ' VAL . 86.5 mt -70.93 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -38.65 -35.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.65 -51.15 69.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . 25.6 mtm -81.27 -24.97 36.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.4 m-85 -134.18 78.57 58.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -34.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -43.01 -50.53 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.3 p -72.66 140.61 81.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.05 155.52 42.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -65.51 -47.07 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -44.41 -59.13 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.602 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD12 ' HG2' ' A' ' 28' ' ' PRO . 13.6 mt -53.08 -59.03 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 t -41.6 -61.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.48 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.607 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.815 ' OD2' HD11 ' A' ' 54' ' ' ILE . 10.1 t70 -42.23 -46.69 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -57.67 -44.84 86.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.797 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.0 mm-40 -63.73 -11.2 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -104.88 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -66.73 -42.44 86.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.0 mmm180 63.44 39.14 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.4 m -170.08 103.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -40.18 -33.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' SER . 9.7 tt0 -61.64 -66.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.61 -14.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.99 HG21 HD12 ' A' ' 36' ' ' LEU . 60.6 m -75.66 -54.13 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.1 p -63.83 -34.8 78.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.35 -25.7 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 45' ' ' THR . 22.9 m-20 -78.69 -35.45 45.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.5 mt -84.64 -57.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -40.03 -57.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.05 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.36 102.29 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -141.26 -54.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.815 HD11 ' OD2' ' A' ' 35' ' ' ASP . 8.5 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.668 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.3 mtp -37.45 -58.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.87 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -38.71 -43.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 HG12 ' A' ' 42' ' ' VAL . 11.4 mt -70.96 -50.12 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -42.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 7.5 mtm -60.69 -41.9 96.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -126.8 78.47 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.72 3.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 7.5 pt20 -41.36 -38.97 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.2 p -80.59 141.24 52.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.545 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -74.98 159.37 41.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -72.41 -51.93 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.562 ' CD2' ' HG ' ' A' ' 31' ' ' LEU . 23.9 p-80 -39.99 -56.31 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 9.5 mt -59.93 -55.6 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' PRO . 5.6 t -41.27 -64.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.0 mt -44.55 -65.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.517 ' NE2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.51 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -45.02 -37.8 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.947 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.66 -43.41 93.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.603 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.2 mt-30 -65.64 -9.88 31.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -105.99 -62.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -66.5 -36.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 6.1 mmm180 51.64 42.04 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.688 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.1 m -173.42 98.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.767 HG12 HD11 ' A' ' 20' ' ' ILE . 4.1 m -38.83 -30.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.9 tt0 -63.77 -54.59 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 41' ' ' SER . 4.9 mt -70.83 -15.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.947 HG21 HD12 ' A' ' 36' ' ' LEU . 1.2 m -71.49 -54.61 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 49' ' ' ILE . 18.0 p -67.35 -35.49 79.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -46.3 -25.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 4.2 m-20 -81.99 -41.26 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -73.53 -45.3 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -61.34 -17.1 52.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.02 17.73 13.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.23 78.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.69 -50.41 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.04 -57.53 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' HD21 ' A' ' 36' ' ' LEU . 2.6 mtp -44.82 -47.68 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -45.87 -54.84 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -47.93 -60.14 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -42.24 -48.08 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.862 HD11 ' HA ' ' A' ' 42' ' ' VAL . 38.9 mt -62.04 -46.03 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 25' ' ' PRO . 3.0 tp60 -46.52 -50.33 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.14 -31.61 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -88.67 -47.7 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 7.2 m-85 -126.14 71.88 70.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.03 -34.39 3.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -44.41 -39.55 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -75.17 165.35 54.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.94 154.9 43.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 1.063 ' CE2' HD11 ' A' ' 33' ' ' LEU . 27.1 t80 -82.67 -43.65 16.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -49.81 -64.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.583 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 28' ' ' PRO . 27.9 mt -44.81 -59.64 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.36 -57.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.063 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -50.23 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.974 ' OE1' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.84 -59.7 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' HD11 ' A' ' 54' ' ' ILE . 4.0 t70 -44.62 -43.21 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -57.69 -41.71 82.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.73 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.9 mt-30 -67.0 -9.68 41.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.974 HD21 ' OE1' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -106.16 -57.48 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -72.08 -42.68 65.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.1 mpp_? 61.88 40.04 13.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.677 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.5 t -170.93 105.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.862 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.5 m -43.53 -27.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.8 tt0 -70.81 -58.4 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 41' ' ' SER . 5.2 mt -64.1 -21.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 36' ' ' LEU . 7.7 m -70.4 -49.51 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.771 ' HA ' HD12 ' A' ' 49' ' ' ILE . 23.8 p -71.67 -32.83 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -28.83 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.51 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.7 m-20 -76.88 -37.62 55.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.1 mt -79.66 -58.57 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -39.85 -54.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -29.03 33.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.25 112.99 2.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -151.67 -54.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 31' ' ' LEU . 8.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.1 t-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.97 74.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.546 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.9 mtm -50.18 -58.45 5.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.33 -57.37 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.6 t60 -43.69 -63.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.575 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -44.01 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.831 HD11 ' HA ' ' A' ' 42' ' ' VAL . 92.6 mt -67.26 -53.71 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' PRO . 1.1 tm0? -38.7 -49.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 14.4 mt-10 -49.39 -56.68 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 5.2 mtm -69.64 -37.4 76.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -131.41 80.76 66.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.5 Cg_endo -74.95 -34.04 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -39.81 -53.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -67.14 141.19 96.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.03 155.31 42.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -55.59 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.5 mt -54.53 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 36' ' ' LEU . 13.2 t -40.93 -63.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -40.97 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.647 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.76 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.234 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.04 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.938 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.45 -43.85 88.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.689 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.5 mm-40 -64.97 -10.65 30.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 54.9 p -65.58 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 5.9 mmm180 54.52 40.24 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.833 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.7 t -169.17 102.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.831 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.0 m -39.72 -30.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 tt0 -68.71 -54.51 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.5 mt -65.65 -18.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.938 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -70.52 -55.06 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.459 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 61.5 p -66.44 -37.03 84.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -26.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.6 m-20 -80.73 -43.8 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -72.27 -51.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.19 -22.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.22 21.4 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.57 80.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.586 1.179 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.47 -39.07 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 p -162.12 162.56 28.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -168.94 105.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.09 127.37 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.24 101.33 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.31 170.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.49 96.17 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.75 -60.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -169.74 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.6 m120 58.79 95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m -123.81 92.96 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.74 -41.49 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.851 HD23 HD23 ' A' ' 36' ' ' LEU . 1.4 mt -55.2 -49.92 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -40.5 -51.48 2.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 -57.23 12.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.2 mtm -41.57 -52.39 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.63 -60.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 13.4 t60 -44.79 -58.95 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -43.22 -46.1 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CB ' ' A' ' 42' ' ' VAL . 65.6 mt -67.65 -56.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.4 OUTLIER -38.5 -43.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mt-10 -54.19 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.482 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.1 mtm -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.8 m-85 -134.8 81.51 46.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -34.96 3.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -40.74 -53.92 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -70.15 141.12 88.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 175.26 11.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.74 -54.4 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 5.6 p-80 -41.08 -54.49 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 28' ' ' PRO . 10.9 mt -59.22 -59.49 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG23 HG22 ' A' ' 27' ' ' VAL . 3.7 t -40.59 -63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.5 mt -41.57 -66.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.713 ' NE2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.91 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -45.09 -38.4 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -60.4 -44.3 95.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.678 ' NE2' HD13 ' A' ' 13' ' ' LEU . 6.8 mm-40 -64.28 -11.61 33.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.713 HD11 ' NE2' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -103.0 -62.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -65.95 -42.59 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.5 mmm180 61.01 40.17 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.1 m -172.89 103.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.583 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -40.11 -29.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.7 mt-10 -66.18 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.8 mt -59.64 -21.31 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.025 HG21 HD12 ' A' ' 36' ' ' LEU . 5.6 m -71.09 -49.88 39.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' HD12 ' A' ' 49' ' ' ILE . 22.4 p -71.43 -32.06 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -23.57 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB2' HD12 ' A' ' 54' ' ' ILE . 5.9 m-20 -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -82.85 -56.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.765 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.12 -43.34 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.08 -29.03 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 89.23 89.45 1.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.9 -57.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.797 . . . . 0.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.6 mt -69.31 95.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -113.43 105.59 13.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.2 t -127.91 91.12 45.86 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.04 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.94 138.6 54.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 m 47.78 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.13 81.31 0.2 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -75.97 124.98 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -157.3 84.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.52 170.25 24.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.12 -63.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.4 p -72.28 146.36 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 61.38 153.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.91 89.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 11.4 mm-40 -82.87 -60.15 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.708 HD23 HD23 ' A' ' 36' ' ' LEU . 1.8 mt -46.28 -54.92 8.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -40.57 -39.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -65.49 -51.21 61.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.642 ' SD ' HG13 ' A' ' 42' ' ' VAL . 22.7 mtm -47.82 -54.87 11.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.75 -63.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.09 -63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -40.97 -45.68 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.704 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.0 mt -66.06 -56.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tm0? -38.4 -41.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.07 -58.49 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.46 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 10.4 mtm -68.45 -39.44 81.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.7 m-85 -126.74 79.19 72.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.59 4.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -42.81 -53.71 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 10.1 p -66.23 140.99 97.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' HD11 ' A' ' 33' ' ' LEU . 8.5 t80 -62.51 -47.47 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -42.63 -55.15 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' A' ' 28' ' ' PRO . 26.5 mt -60.44 -54.97 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -42.23 -63.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 29' ' ' TYR . 17.7 mt -45.09 -68.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -38.93 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 4.5 t70 -44.72 -40.8 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.53 -42.66 92.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.739 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.2 mm-40 -66.42 -9.89 38.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.739 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -105.5 -59.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 p -70.48 -43.21 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 62.03 39.08 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.5 m -172.12 103.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.704 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.98 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.3 tt0 -64.08 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.74 -19.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.052 HG21 HD12 ' A' ' 36' ' ' LEU . 6.7 m -71.39 -50.58 30.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.807 ' HA ' HD12 ' A' ' 49' ' ' ILE . 24.2 p -70.21 -32.47 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -25.33 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.482 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.4 m-20 -81.18 -35.89 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -81.75 -57.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.58 -43.99 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.53 -29.0 21.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.82 92.88 1.01 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -131.86 -53.67 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD12 ' HB2' ' A' ' 48' ' ' ASN . 9.0 mt -70.46 94.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -116.67 132.91 56.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.58 89.99 29.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.88 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.971 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -141.65 118.78 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -122.12 87.07 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.45 -129.19 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 62.89 114.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 m -40.52 108.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.18 -172.45 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.87 157.08 43.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -53.64 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -50.4 145.07 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -169.37 106.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -81.59 -29.74 33.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.619 HD23 HD23 ' A' ' 36' ' ' LEU . 1.5 mt -65.29 -17.05 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -68.9 -51.36 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -57.4 -59.49 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.571 ' HB3' HG12 ' A' ' 42' ' ' VAL . 2.3 mtp -37.73 -46.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.98 -54.04 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.583 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.0 t60 -51.06 -64.9 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -41.23 -42.51 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 ' CB ' ' A' ' 42' ' ' VAL . 91.1 mt -65.97 -54.5 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 2.2 tp-100 -39.69 -46.17 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.583 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 17.4 mt-10 -51.85 -56.9 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 13.5 mtm -69.62 -45.81 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 m-85 -125.11 78.26 66.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -74.99 -33.47 4.56 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -39.91 -47.43 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 24' ' ' PHE . 11.8 p -72.59 140.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.95 159.48 41.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -68.13 -53.31 26.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -40.35 -59.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.28 -59.91 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' PRO . 40.0 t -40.89 -62.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 33' ' ' LEU . 13.0 mt -40.86 -70.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.936 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.5 -65.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.62 ' OD1' HD11 ' A' ' 54' ' ' ILE . 3.2 t70 -43.34 -44.44 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.032 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.07 -44.18 82.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.1 mt-30 -64.45 -11.35 32.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.936 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -104.35 -61.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 p -67.2 -43.94 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mmm-85 63.18 38.36 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.94 104.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.702 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.98 -30.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' SER . 7.5 tt0 -64.41 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.07 -20.81 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.032 HG21 HD12 ' A' ' 36' ' ' LEU . 7.4 m -71.27 -47.7 55.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.906 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 p -71.7 -27.66 63.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -25.65 17.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.732 ' HB2' HD12 ' A' ' 54' ' ' ILE . 11.7 m-20 -81.42 -24.06 37.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -92.68 -31.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -81.49 -12.03 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.08 14.59 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.15 79.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.56 1.163 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -122.28 -61.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.4 mt -78.71 94.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.66 132.85 46.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.93 91.55 26.95 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 62.32 5.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -114.02 102.7 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.45 108.87 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 -142.18 8.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.09 155.59 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -58.81 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.05 148.89 17.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.13 70.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -78.45 90.03 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 60.43 97.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -132.87 83.06 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -66.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.65 HD23 ' CE ' ' A' ' 16' ' ' MET . 26.4 mt -41.04 -44.78 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' HA ' HD21 ' A' ' 33' ' ' LEU . 7.9 t30 -58.12 -62.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.44 -56.92 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.65 ' CE ' HD23 ' A' ' 13' ' ' LEU . 34.2 mtm -40.09 -52.59 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -43.2 -60.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -57.26 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.74 -43.89 13.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 42' ' ' VAL . 87.3 mt -70.35 -56.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -38.44 -35.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.2 -56.78 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 36.5 mtm -71.34 -42.5 68.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 3.6 m-85 -124.75 78.37 64.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.47 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -40.7 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 28' ' ' PRO . 5.0 p -64.05 141.9 98.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 148.16 35.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.64 -56.95 15.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -40.55 -61.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.831 HD12 ' HG2' ' A' ' 28' ' ' PRO . 16.8 mt -49.97 -59.33 3.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 27' ' ' VAL . 8.7 t -42.74 -62.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 14' ' ' ASN . 19.7 mt -42.5 -63.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.93 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.7 t70 -44.58 -44.47 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.112 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -56.11 -41.89 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.781 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.3 mt-30 -66.61 -9.56 36.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.36 -57.44 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 p -72.77 -43.38 62.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 64.3 38.8 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.7 m -171.46 108.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.604 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -42.44 -28.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.1 tt0 -66.11 -71.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.23 -20.72 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.112 HG21 HD12 ' A' ' 36' ' ' LEU . 79.4 m -73.99 -50.49 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.4 p -65.39 -30.11 70.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -29.05 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.594 ' HB2' HD12 ' A' ' 54' ' ' ILE . 23.9 m-20 -76.67 -25.05 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.6 mt -93.49 -60.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.71 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.46 -50.56 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.44 -26.34 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 84.31 105.0 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -145.44 -54.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.698 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 mt -73.16 94.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.85 125.52 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 54' ' ' ILE . 68.8 t -124.2 89.46 51.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.33 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -152.8 140.41 19.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -72.17 156.25 39.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.65 69.96 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.18 91.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.785 . . . . 0.0 109.988 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -142.2 126.51 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.49 85.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.72 166.29 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.1 m -77.3 82.39 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.56 -63.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.2 m 48.66 89.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.79 -34.56 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.004 HD23 HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -62.07 -54.69 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.8 -36.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.75 35.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 36' ' ' LEU . 20.9 mtm -49.15 -42.71 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.82 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -45.79 -57.04 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -38.82 -52.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 42' ' ' VAL . 42.1 mt -66.14 -54.66 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -38.13 -42.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.25 -63.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 22.1 mtm -66.16 -37.39 85.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -128.7 79.91 73.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.45 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.43 -54.0 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 ' HD2' ' A' ' 28' ' ' PRO . 4.1 p -64.15 142.19 98.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.03 156.2 42.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -67.37 -45.27 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.1 t60 -50.72 -58.87 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD12 ' HG2' ' A' ' 28' ' ' PRO . 34.4 mt -52.16 -55.37 21.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 28' ' ' PRO . 43.7 t -44.37 -62.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' GLN . 14.9 mt -42.95 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.82 -70.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.6 t70 -45.39 -41.77 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.036 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.59 -42.35 87.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.744 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.3 mm-40 -67.09 -8.88 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -105.27 -59.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.4 p -70.53 -39.89 73.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 59.22 40.34 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.5 m -173.54 103.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.0 ' O ' HG23 ' A' ' 46' ' ' THR . 3.7 m -38.86 -34.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' SER . 3.1 tt0 -59.18 -69.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -57.54 -18.56 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.036 HG21 HD12 ' A' ' 36' ' ' LEU . 10.7 m -72.5 -54.05 10.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 1.0 HG23 ' O ' ' A' ' 42' ' ' VAL . 29.4 p -64.43 -36.05 82.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.66 -24.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.487 ' HB2' HD12 ' A' ' 54' ' ' ILE . 21.6 m-20 -79.43 -39.85 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.9 mt -78.97 -51.08 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -51.35 -24.33 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.0 mt-10 -114.53 21.74 14.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.48 84.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.5 mmt180 -121.66 -48.43 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt -85.65 97.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.41 114.18 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.12 91.24 49.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 84.5 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.68 166.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -161.12 -58.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.01 -141.82 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 66.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.988 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.9 165.77 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.71 -108.35 2.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.35 163.13 21.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 0.727 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -168.92 158.98 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.39 139.19 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 97.74 5.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -87.41 -66.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 36' ' ' LEU . 1.1 mt -41.72 -43.4 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.787 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.9 t-20 -48.27 -47.16 36.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' GLN . . . -63.39 -51.87 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 24.0 mtm -47.12 -44.32 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.43 -54.38 47.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -62.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -46.89 -44.84 20.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.705 HD11 ' CB ' ' A' ' 42' ' ' VAL . 99.4 mt -62.91 -46.87 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.89 -39.7 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.66 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.9 mtm -60.66 -33.35 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.3 m-85 -133.68 81.71 52.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.54 -52.22 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.9 p -69.3 140.81 90.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.739 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 158.91 42.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.16 -54.94 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 9.2 p-80 -41.03 -41.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD12 ' HG2' ' A' ' 28' ' ' PRO . 9.3 mt -68.94 -60.14 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG13 HD13 ' A' ' 36' ' ' LEU . 12.2 t -42.63 -57.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.9 mt -40.56 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.7 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -39.58 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 3.5 t70 -44.24 -41.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.056 HD12 HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -57.69 -43.99 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.8 mt-30 -65.82 -9.96 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -105.12 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -66.02 -36.42 83.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 54.31 37.65 27.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.8 m -171.86 102.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.969 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.705 ' CB ' HD11 ' A' ' 20' ' ' ILE . 3.9 m -39.91 -30.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.4 tt0 -62.11 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.71 -19.79 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.056 HG21 HD12 ' A' ' 36' ' ' LEU . 5.1 m -71.61 -49.93 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.899 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 p -71.82 -31.53 66.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.338 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 11.6 t0 -49.22 -29.67 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -76.64 -34.11 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -80.53 -39.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -70.21 -18.9 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 3.7 pt-20 -118.36 14.39 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.74 89.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.73 -48.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -85.51 99.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -90.24 129.4 36.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.11 155.63 12.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 55.11 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.72 90.19 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.75 98.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.55 148.92 14.65 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.01 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -106.72 168.9 8.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.5 76.06 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.83 159.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.27 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -78.5 141.34 38.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -57.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 52.7 p -124.97 80.94 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -54.99 -57.56 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.697 HD23 HD23 ' A' ' 36' ' ' LEU . 1.2 mt -43.67 -30.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 33' ' ' LEU . 6.1 t30 -56.49 -55.83 28.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -52.07 -62.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.645 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.6 mtp -37.42 -51.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -44.72 -55.83 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -61.32 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -38.77 -48.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CG1' ' HB ' ' A' ' 42' ' ' VAL . 32.4 mt -63.84 -49.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 2.5 tm0? -38.65 -43.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.56 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 19.3 mtm -65.17 -50.48 65.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 5.0 m-85 -122.15 77.52 42.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.2 Cg_endo -75.02 -32.5 5.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -40.63 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.4 p -64.41 143.09 98.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 160.91 39.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.43 -52.52 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -40.05 -61.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.614 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 28' ' ' PRO . 28.7 mt -53.64 -57.72 9.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 28' ' ' PRO . 42.8 t -41.0 -61.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.5 mt -43.4 -67.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.52 -66.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 45' ' ' THR . 14.9 t70 -42.84 -45.32 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.22 -44.15 88.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.75 ' C ' HD23 ' A' ' 38' ' ' LEU . 5.7 mt-30 -64.16 -11.28 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.1 mt -103.83 -63.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 63.3 p -66.71 -42.85 85.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 62.78 40.1 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.4 m -170.25 102.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 46' ' ' THR . 3.9 m -39.58 -31.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 mt-10 -66.56 -56.14 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.1 mt -65.68 -16.23 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.876 HG21 HD12 ' A' ' 36' ' ' LEU . 1.8 m -71.36 -54.21 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 42' ' ' VAL . 26.0 p -64.4 -35.07 79.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 2.1 m-20 -48.35 -24.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 45' ' ' THR . 25.2 m-20 -81.19 -38.62 26.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.81 -56.15 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -39.59 -47.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 47' ' ' ASP . 2.7 pt-20 -86.49 -26.66 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 86.15 93.72 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -129.64 -52.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.342 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.448 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.0 mt -70.17 96.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.19 81.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -129.44 90.84 43.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 65.17 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.3 135.06 57.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.95 88.77 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.42 63.87 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -133.86 112.52 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m 57.85 162.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.17 -128.64 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.0 85.42 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -79.58 94.58 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 37' ' ' GLN . 59.8 m-80 -77.93 -60.0 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.25 -57.41 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -65.13 -69.78 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 HD23 HD23 ' A' ' 36' ' ' LEU . 1.2 mt -53.02 -26.25 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -60.27 -51.96 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.62 -57.92 10.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.655 ' CB ' HD21 ' A' ' 36' ' ' LEU . 3.1 mtp -39.35 -44.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.8 -59.54 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -57.29 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -43.2 -39.32 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 42' ' ' VAL . 97.5 mt -73.67 -50.76 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -39.02 -40.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.84 -58.79 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.519 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtm -68.36 -48.44 64.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -123.2 77.56 52.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -41.6 -54.07 3.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -64.62 142.64 98.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 155.09 42.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.77 -48.95 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -41.46 -61.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD12 ' HG2' ' A' ' 28' ' ' PRO . 14.0 mt -53.84 -56.46 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PRO . 49.8 t -40.47 -61.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.75 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.902 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.87 -65.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.616 ' OD1' HD11 ' A' ' 54' ' ' ILE . 18.3 t70 -43.65 -45.02 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.894 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -58.62 -42.63 88.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.795 ' C ' HD23 ' A' ' 38' ' ' LEU . 31.3 mt-30 -66.22 -9.45 32.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.902 HD11 ' OE1' ' A' ' 34' ' ' GLN . 1.1 mt -105.64 -60.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -69.68 -40.69 76.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER 59.45 41.18 19.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.752 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.5 m -171.45 102.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.655 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -39.69 -31.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.072 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 41' ' ' SER . 29.4 tt0 -65.03 -56.34 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.752 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -66.36 -17.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.894 HG21 HD12 ' A' ' 36' ' ' LEU . 2.0 m -69.77 -51.63 32.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.755 ' HB ' HD12 ' A' ' 50' ' ' LEU . 63.8 p -66.51 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.64 -22.26 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.585 ' HB2' HD12 ' A' ' 54' ' ' ILE . 21.0 m-20 -84.18 -30.86 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.2 mt -88.68 -58.04 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.755 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -40.65 -49.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.86 -28.45 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.6 103.24 0.78 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -143.59 -51.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.616 HD11 ' OD1' ' A' ' 35' ' ' ASP . 8.3 mt -75.04 97.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -69.67 114.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG13 ' HD2' ' A' ' 57' ' ' PRO . 77.7 t -70.88 142.94 88.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.692 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p 55.37 169.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 179.74 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.67 -127.85 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.0 79.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -151.27 135.87 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.89 -75.21 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.82 80.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.342 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -170.14 -53.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 159.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -80.3 93.23 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -62.88 -44.53 95.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 11.2 mt -43.09 -41.04 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.75 -57.55 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.763 ' HB3' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -41.63 -59.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -43.17 -64.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.48 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -40.58 -48.14 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 42' ' ' VAL . 83.4 mt -64.98 -52.0 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 1.4 tp60 -38.62 -39.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.12 -63.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtp -59.75 -46.94 87.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 27' ' ' VAL . 35.5 m-85 -124.96 77.73 66.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -26.8 10.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.99 -53.94 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' HD2' ' A' ' 28' ' ' PRO . 6.8 p -65.04 141.51 98.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.99 143.97 29.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 33' ' ' LEU . 13.4 t80 -56.34 -53.79 53.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -41.26 -52.61 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 28' ' ' PRO . 8.5 mt -61.36 -54.55 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -42.1 -64.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -40.6 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -38.95 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 6.1 t70 -43.96 -42.89 6.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.883 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.43 -43.49 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.675 ' C ' HD23 ' A' ' 38' ' ' LEU . 16.1 mt-30 -64.91 -10.7 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.81 -62.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 p -66.58 -39.88 88.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.4 mpp_? 58.65 41.11 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.697 ' CB ' HD12 ' A' ' 44' ' ' ILE . 2.7 m -172.79 99.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -38.91 -31.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -64.94 -56.95 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.697 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.07 -17.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.883 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -68.92 -50.18 51.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 42' ' ' VAL . 20.0 p -67.85 -30.52 69.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -22.1 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.0 m-20 -84.74 -45.36 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.11 -50.65 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -49.96 -24.91 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 3.8 mt-10 -118.5 22.68 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . . . 37.79 82.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -113.45 -47.42 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.0 mt -84.55 99.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -80.08 115.82 19.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.868 HG22 ' HD2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -40.26 147.59 0.36 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.96 76.21 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -43.65 162.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.054 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 58.54 168.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.12 -133.38 1.66 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t 61.74 80.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -138.3 88.69 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.38 73.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.66 72.71 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 81.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.65 100.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -116.22 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -97.01 -55.99 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.888 HD23 ' HE2' ' A' ' 16' ' ' MET . 79.4 mt -44.1 -41.96 5.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.644 ' HA ' HD21 ' A' ' 33' ' ' LEU . 5.3 m-80 -56.62 -50.16 72.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -55.78 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.888 ' HE2' HD23 ' A' ' 13' ' ' LEU . 29.4 mtm -41.65 -51.51 4.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -47.23 -60.31 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.33 -66.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.563 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -39.24 -48.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.571 HD11 ' CB ' ' A' ' 42' ' ' VAL . 44.5 mt -65.28 -55.56 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.82 -48.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.92 -61.81 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.7 mtm -61.19 -40.32 93.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -128.5 79.55 74.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -74.98 -34.71 3.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -42.4 -38.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.8 p -81.86 141.13 47.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.513 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -75.01 156.25 42.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 1.5 t80 -70.41 -50.11 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 16.5 p-80 -41.38 -57.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 mt -57.76 -59.51 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -40.49 -61.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 14' ' ' ASN . 13.1 mt -41.37 -68.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.785 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.47 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.03 -39.91 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.077 HD12 HG21 ' A' ' 45' ' ' THR . 0.6 OUTLIER -58.37 -44.52 88.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.594 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.6 mt-30 -63.96 -11.66 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD11 ' OE1' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -104.32 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.6 p -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.07 39.3 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.665 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.4 t -168.6 103.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 16' ' ' MET . 3.4 m -42.24 -28.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.6 tt0 -69.85 -56.33 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.665 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.6 mt -66.71 -23.62 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.077 HG21 HD12 ' A' ' 36' ' ' LEU . 4.2 m -69.25 -48.67 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.913 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -72.17 -30.55 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -23.94 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.654 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.0 m-20 -83.01 -31.48 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -84.13 -45.04 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -60.45 -15.72 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.7 12.55 13.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.94 76.91 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 1.4 mtm180 -116.28 -50.99 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 48' ' ' ASN . 10.0 mt -77.67 93.6 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.03 141.7 38.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 31' ' ' LEU . 54.2 t -123.6 90.77 50.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.09 6.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -48.41 134.34 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.43 87.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.29 -115.44 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m 57.81 104.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.765 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.8 150.82 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.032 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.66 86.77 1.04 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -113.44 150.14 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.76 143.08 29.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -158.39 96.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.1 mt-30 -77.11 -56.64 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 36' ' ' LEU . 1.1 mt -43.5 -32.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.3 t-20 -57.14 -48.62 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' GLN . . . -59.44 -62.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.558 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.2 mtp -37.4 -52.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.72 -53.29 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.624 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -42.34 -43.9 3.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 42' ' ' VAL . 93.6 mt -66.54 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' N ' ' A' ' 29' ' ' TYR . 3.2 tp60 -38.35 -42.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.17 -53.91 51.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtm -73.24 -35.55 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.7 m-85 -128.95 78.41 76.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -33.42 4.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.7 pt20 -45.65 -39.61 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 24' ' ' PHE . 6.2 p -80.81 141.18 51.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.78 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.04 151.28 39.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.5 t80 -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -39.98 -56.69 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.78 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.3 mt -56.22 -57.4 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 28' ' ' PRO . 51.8 t -41.87 -63.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -41.87 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -38.88 -68.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -44.15 -43.77 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -57.73 -42.51 83.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.769 ' C ' HD23 ' A' ' 38' ' ' LEU . 22.8 mt-30 -66.53 -9.51 35.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -106.15 -59.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 p -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.66 39.03 18.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.6 m -173.45 103.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -39.09 -34.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.88 -67.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.34 -18.64 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 36' ' ' LEU . 8.3 m -72.94 -55.05 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 42' ' ' VAL . 33.0 p -61.54 -36.83 81.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -46.6 -27.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 37.6 m-20 -77.13 -41.35 42.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.7 mt -77.19 -54.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -46.37 -58.46 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.63 -29.12 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.83 87.26 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.94 -64.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.628 ' CG2' HD13 ' A' ' 31' ' ' LEU . 9.2 mt -63.72 95.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -74.17 130.61 40.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.632 HG21 ' HD3' ' A' ' 28' ' ' PRO . 78.0 t -114.74 92.12 28.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.29 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 66.03 117.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.86 -159.21 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -57.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.947 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -167.87 149.53 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.55 -155.59 16.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.52 144.32 25.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -159.85 137.2 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -49.35 168.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 1.1 m 61.33 36.08 17.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -97.24 -24.4 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -73.86 -56.67 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -39.69 -57.09 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.35 -56.7 13.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' HG12 ' A' ' 42' ' ' VAL . 4.8 mtm -46.83 -57.93 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HD22 ' A' ' 36' ' ' LEU . . . -53.23 -57.84 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -41.36 -51.62 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -52.64 -41.38 63.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.783 HD11 ' HA ' ' A' ' 42' ' ' VAL . 13.4 mt -74.37 -49.4 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -39.88 -39.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.89 -47.46 77.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.514 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 mtm -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.0 m-85 -136.8 80.5 36.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.29 3.19 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -42.96 -53.93 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -64.21 142.72 98.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.96 142.35 27.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE2' HD11 ' A' ' 33' ' ' LEU . 9.0 t80 -62.43 -52.8 62.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.591 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 15.0 p-80 -39.6 -57.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.547 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 5.9 mt -59.01 -57.99 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 27' ' ' VAL . 54.4 t -41.21 -63.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.66 HD11 ' CE2' ' A' ' 29' ' ' TYR . 18.1 mt -40.1 -66.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -70.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -41.75 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 45' ' ' THR . 2.9 tp -49.92 -67.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' HD11 ' A' ' 13' ' ' LEU . 1.4 mt-30 -41.31 -28.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.73 -64.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.456 HG21 HD21 ' A' ' 48' ' ' ASN . 23.3 p -51.8 -47.19 64.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 65.55 29.55 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.827 ' HB2' HD12 ' A' ' 44' ' ' ILE . 13.6 m -165.92 107.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.943 ' O ' HG23 ' A' ' 46' ' ' THR . 3.8 m -39.06 -34.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -66.95 -69.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.7 mt -47.38 -24.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 36' ' ' LEU . 4.3 m -69.93 -52.86 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 p -65.12 -34.96 79.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -26.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.456 HD21 HG21 ' A' ' 39' ' ' THR . 32.9 m-20 -77.67 -38.99 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.8 mt -80.94 -57.7 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -41.42 -59.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.54 -28.76 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 87.94 80.26 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -120.2 -58.74 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.4 mt -65.99 95.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -54.71 134.3 47.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.25 90.64 25.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 90.13 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.28 126.83 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p 179.69 116.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.85 131.13 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 m -65.95 148.43 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.05 105.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 -127.1 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.36 101.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 109.367 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 p -45.54 -57.66 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.09 137.69 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -164.84 87.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.43 -53.17 9.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CE ' ' A' ' 16' ' ' MET . 45.6 mt -47.25 -38.07 11.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.13 -59.87 4.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.41 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.577 ' CE ' HD23 ' A' ' 13' ' ' LEU . 22.7 mtm -45.89 -60.21 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' MET . . . -40.18 -60.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -40.06 -64.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.565 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.07 -42.81 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.724 HD11 ' CB ' ' A' ' 42' ' ' VAL . 87.9 mt -68.36 -60.91 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.8 -42.11 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 4.5 mm-40 -57.72 -51.16 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.557 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 11.2 mtm -73.14 -45.93 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 3.1 m-85 -123.43 77.38 54.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.53 5.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -40.73 -42.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -78.69 143.15 62.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.05 148.48 35.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 2.7 t80 -59.99 -47.25 86.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -43.62 -55.91 4.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.651 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.7 mt -58.43 -59.1 5.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG23 HG22 ' A' ' 27' ' ' VAL . 18.2 t -41.75 -64.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 29' ' ' TYR . 10.7 mt -41.39 -68.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -39.0 -68.3 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 2.2 t70 -43.13 -45.31 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.097 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -55.09 -44.73 75.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.729 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mt-30 -64.35 -11.03 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.729 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -104.65 -63.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 60.54 39.91 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' GLU . 3.3 m -173.42 102.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.724 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.1 m -39.5 -30.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.9 tt0 -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -59.55 -21.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.097 HG21 HD12 ' A' ' 36' ' ' LEU . 7.6 m -71.56 -48.18 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.922 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.8 p -71.19 -28.86 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -23.98 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.68 ' HB2' HD12 ' A' ' 54' ' ' ILE . 12.3 m-20 -82.98 -26.5 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.9 mt -89.85 -36.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.76 -12.94 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -119.24 13.54 12.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 81.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -123.85 -54.18 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.763 . . . . 0.0 110.322 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.68 HD12 ' HB2' ' A' ' 48' ' ' ASN . 8.5 mt -80.86 95.43 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.2 138.42 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -73.04 114.05 27.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 70.16 5.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -148.45 -58.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -118.6 81.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.85 -130.49 8.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 65.13 93.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 109.984 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m 55.47 93.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.4 -114.01 1.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 117.64 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.73 163.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 61.08 98.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m -77.76 85.43 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.19 -34.46 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD23 HD23 ' A' ' 36' ' ' LEU . 1.4 mt -56.7 -51.26 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.0 -49.35 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.33 36.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.566 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.7 mtm -43.19 -52.24 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' ' CE1' ' A' ' 29' ' ' TYR . . . -50.0 -57.05 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -45.58 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -45.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.721 HD11 ' CB ' ' A' ' 42' ' ' VAL . 78.4 mt -69.05 -53.53 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.598 ' OE1' ' CD2' ' A' ' 29' ' ' TYR . 4.3 tp60 -38.32 -40.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.04 -64.0 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 mtp -57.8 -49.39 76.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 46' ' ' THR . 52.3 m-85 -123.44 77.97 54.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.419 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.4 Cg_endo -74.97 -30.92 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -41.02 -52.88 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -67.36 142.83 96.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.826 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.95 148.91 36.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.598 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 1.1 t80 -63.06 -53.05 59.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -40.12 -51.07 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.826 HD12 ' HG2' ' A' ' 28' ' ' PRO . 19.5 mt -64.9 -54.63 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' PRO . 54.2 t -41.23 -61.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 mt -44.25 -67.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.44 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 10.8 t70 -43.87 -43.48 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -57.1 -43.29 82.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.713 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.4 mm-40 -65.29 -10.56 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.713 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -105.25 -61.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 p -66.79 -38.42 86.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 55.81 42.36 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.708 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.0 m -173.12 100.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.721 ' CB ' HD11 ' A' ' 20' ' ' ILE . 4.2 m -38.94 -31.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.9 mt-10 -65.41 -56.77 10.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 41' ' ' SER . 4.9 mt -66.03 -17.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.949 HG21 HD12 ' A' ' 36' ' ' LEU . 1.4 m -70.29 -52.71 20.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 49' ' ' ILE . 34.8 p -67.09 -34.41 77.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -24.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.8 m-20 -82.54 -38.98 22.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.5 mt -77.48 -51.74 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -52.02 -21.77 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.58 21.09 13.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.28 83.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ASN . 2.3 mtt-85 -120.68 -47.68 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.4 mt -88.42 95.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -125.46 116.7 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 2.5 t -133.08 136.58 27.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.96 84.04 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -127.9 102.7 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -154.74 165.91 35.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.78 -79.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m 52.9 94.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -167.95 118.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.19 64.2 3.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.46 132.62 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.02 165.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -73.09 151.86 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.45 -54.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' C ' ' SD ' ' A' ' 16' ' ' MET . 21.1 mp0 -57.31 -56.69 18.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD12 ' NE2' ' A' ' 37' ' ' GLN . 8.2 mt -50.91 -52.41 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -46.4 -58.71 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.77 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.85 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.0 mtp -39.61 -55.13 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.58 -63.03 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.08 -62.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -40.83 -48.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' A' ' 42' ' ' VAL . 63.5 mt -67.3 -50.0 66.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' O ' ' CA ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -38.95 -41.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.05 -63.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.417 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 72.6 mtm -60.29 -46.48 89.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.649 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.8 m-85 -125.45 77.11 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' O ' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.01 -30.13 7.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -42.65 -39.54 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 24' ' ' PHE . 4.9 p -78.79 141.91 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.907 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 147.8 34.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CE2' HD11 ' A' ' 33' ' ' LEU . 24.0 t80 -62.48 -51.95 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -42.24 -57.48 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.907 HD12 ' HG2' ' A' ' 28' ' ' PRO . 17.8 mt -57.8 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 28' ' ' PRO . 53.5 t -40.46 -61.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 29' ' ' TYR . 15.1 mt -41.34 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.52 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 -45.32 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.919 HD12 HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -55.09 -46.07 75.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm-40 -62.05 -13.11 23.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.09 -63.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.418 HG21 HD21 ' A' ' 48' ' ' ASN . 17.5 p -62.24 -41.04 98.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 55.87 42.57 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.831 ' CB ' HD12 ' A' ' 44' ' ' ILE . 8.5 t -171.81 97.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 46' ' ' THR . 4.2 m -39.14 -30.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.0 tt0 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.831 HD12 ' CB ' ' A' ' 41' ' ' SER . 5.9 mt -68.3 -19.52 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 36' ' ' LEU . 1.3 m -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 42' ' ' VAL . 22.1 p -67.28 -30.72 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -22.0 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' THR . 28.3 m-20 -84.76 -44.77 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.7 mt -72.74 -50.99 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.12 -27.53 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -110.35 21.3 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.02 78.84 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 4.1 mmm180 -113.85 -46.46 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -83.11 95.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.19 96.68 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.7 t -130.99 91.71 35.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.33 5.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.12 102.25 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -52.9 168.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.66 -113.44 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.0 132.46 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 p -64.56 118.8 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 126.9 5.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.65 69.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.02 168.03 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -77.94 -52.69 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 44.09 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -54.83 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -47.53 -46.18 27.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.3 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.31 -61.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.761 ' HB3' HG12 ' A' ' 42' ' ' VAL . 1.5 mtp -41.95 -60.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -43.49 -58.37 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -60.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.35 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 42' ' ' VAL . 75.0 mt -65.95 -59.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.88 -44.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.55 -59.18 4.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -69.33 -36.89 77.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.4 m-85 -124.77 76.35 65.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 14.9 pt20 -44.06 -39.05 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 24' ' ' PHE . 9.0 p -80.69 140.93 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.97 141.26 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 17' ' ' ALA . 2.7 t80 -57.96 -50.41 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -40.06 -68.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.627 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 31' ' ' LEU . 12.7 mt -47.98 -58.01 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 27' ' ' VAL . 3.3 t -41.97 -60.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 18.9 mt -40.6 -70.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.985 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.32 -69.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 1.7 t70 -43.0 -38.5 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.017 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.9 OUTLIER -58.44 -49.79 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.586 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.6 mm-40 -61.99 -12.96 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.985 HD11 ' OE1' ' A' ' 34' ' ' GLN . 2.1 mt -97.41 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 44.7 p -62.96 -39.73 95.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 60.78 38.59 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.8 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.7 m -171.94 106.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.877 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.8 m -41.7 -28.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -69.21 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.8 HD12 ' HB2' ' A' ' 41' ' ' SER . 5.0 mt -59.17 -25.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.017 HG21 ' CD1' ' A' ' 36' ' ' LEU . 2.0 m -68.51 -51.05 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.837 ' HA ' HD12 ' A' ' 49' ' ' ILE . 19.6 p -69.41 -32.48 71.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -25.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.57 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.8 m-20 -81.93 -36.4 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.1 mt -80.78 -57.15 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.775 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -41.14 -53.41 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -28.7 55.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.49 93.13 0.89 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -132.38 -57.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 48' ' ' ASN . 7.8 mt -69.72 95.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -127.13 116.67 21.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 57' ' ' PRO . 77.7 t -130.67 142.92 47.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.98 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 125.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -176.37 142.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.1 125.35 2.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.93 158.06 45.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 110.058 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t 51.85 82.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.24 -140.48 15.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.14 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p 47.1 85.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.48 135.6 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -107.01 103.32 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -85.27 -56.05 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 36' ' ' LEU . 1.2 mt -44.72 -31.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -54.19 -58.15 8.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' MET . . . -53.53 -61.43 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.677 ' HB3' HD21 ' A' ' 36' ' ' LEU . 2.2 mtp -37.56 -48.81 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . -50.47 -60.43 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.4 -60.14 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -42.56 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.681 HD11 ' CB ' ' A' ' 42' ' ' VAL . 86.5 mt -70.93 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -38.65 -35.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.65 -51.15 69.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . 25.6 mtm -81.27 -24.97 36.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 5.4 m-85 -134.18 78.57 58.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -34.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -43.01 -50.53 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 11.3 p -72.66 140.61 81.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.05 155.52 42.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -65.51 -47.07 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -44.41 -59.13 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.602 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD12 ' HG2' ' A' ' 28' ' ' PRO . 13.6 mt -53.08 -59.03 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 t -41.6 -61.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.48 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.607 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.89 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.815 ' OD2' HD11 ' A' ' 54' ' ' ILE . 10.1 t70 -42.23 -46.69 4.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -57.67 -44.84 86.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.797 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.0 mm-40 -63.73 -11.2 24.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -104.88 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -66.73 -42.44 86.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.0 mmm180 63.44 39.14 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' VAL . 3.4 m -170.08 103.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.985 ' O ' HG23 ' A' ' 46' ' ' THR . 4.1 m -40.18 -33.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 41' ' ' SER . 9.7 tt0 -61.64 -66.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.61 -14.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.99 HG21 HD12 ' A' ' 36' ' ' LEU . 60.6 m -75.66 -54.13 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.985 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.1 p -63.83 -34.8 78.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.35 -25.7 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 45' ' ' THR . 22.9 m-20 -78.69 -35.45 45.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.5 mt -84.64 -57.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -40.03 -57.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.05 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.36 102.29 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -141.26 -54.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.815 HD11 ' OD2' ' A' ' 35' ' ' ASP . 8.5 mt -70.84 94.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.57 126.05 22.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ILE . 58.7 t -119.35 82.19 23.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 58.65 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.7 t80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -139.18 -57.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -155.0 144.96 21.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.24 -63.19 0.91 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.71 136.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -104.21 85.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.36 -74.38 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 160.44 21.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 t -149.5 89.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.37 127.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 88.1 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -71.5 -34.15 69.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 36' ' ' LEU . 1.5 mt -55.6 -31.7 62.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -53.47 -56.92 12.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.668 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.3 mtp -37.45 -58.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.87 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -38.71 -43.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 HG12 ' A' ' 42' ' ' VAL . 11.4 mt -70.96 -50.12 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -42.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 7.5 mtm -60.69 -41.9 96.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -126.8 78.47 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.72 3.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 7.5 pt20 -41.36 -38.97 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 24' ' ' PHE . 7.2 p -80.59 141.24 52.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.545 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -74.98 159.37 41.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -72.41 -51.93 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.562 ' CD2' ' HG ' ' A' ' 31' ' ' LEU . 23.9 p-80 -39.99 -56.31 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 9.5 mt -59.93 -55.6 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 28' ' ' PRO . 5.6 t -41.27 -64.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 14' ' ' ASN . 15.0 mt -44.55 -65.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.517 ' NE2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.51 -69.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -45.02 -37.8 4.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.947 HD12 HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -59.66 -43.41 93.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.603 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.2 mt-30 -65.64 -9.88 31.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -105.99 -62.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -66.5 -36.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 6.1 mmm180 51.64 42.04 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.688 ' HB2' HD12 ' A' ' 44' ' ' ILE . 3.1 m -173.42 98.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.767 HG12 HD11 ' A' ' 20' ' ' ILE . 4.1 m -38.83 -30.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' SER . 2.9 tt0 -63.77 -54.59 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 41' ' ' SER . 4.9 mt -70.83 -15.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.947 HG21 HD12 ' A' ' 36' ' ' LEU . 1.2 m -71.49 -54.61 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 49' ' ' ILE . 18.0 p -67.35 -35.49 79.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -46.3 -25.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 45' ' ' THR . 4.2 m-20 -81.99 -41.26 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.3 mt -73.53 -45.3 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -61.34 -17.1 52.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.02 17.73 13.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.23 78.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.69 -50.41 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.8 mt -86.17 98.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -125.01 73.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 56' ' ' VAL . 74.1 t 47.04 76.38 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 58.86 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -169.13 168.92 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -166.87 156.23 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.84 -151.1 6.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.59 105.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -132.08 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.34 163.2 23.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.87 155.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -124.58 98.06 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -160.87 112.84 1.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 14' ' ' ASN . 11.8 m -162.95 99.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -54.87 -51.6 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.1 mp -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -45.37 -49.62 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.04 -57.53 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' HD21 ' A' ' 36' ' ' LEU . 2.6 mtp -44.82 -47.68 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -45.87 -54.84 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -47.93 -60.14 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -42.24 -48.08 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.862 HD11 ' HA ' ' A' ' 42' ' ' VAL . 38.9 mt -62.04 -46.03 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 25' ' ' PRO . 3.0 tp60 -46.52 -50.33 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.14 -31.61 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -88.67 -47.7 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 7.2 m-85 -126.14 71.88 70.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' A' ' 21' ' ' GLN . 18.3 Cg_endo -75.03 -34.39 3.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -44.41 -39.55 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -75.17 165.35 54.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HG2' HD12 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.94 154.9 43.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 1.063 ' CE2' HD11 ' A' ' 33' ' ' LEU . 27.1 t80 -82.67 -43.65 16.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -49.81 -64.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.583 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 28' ' ' PRO . 27.9 mt -44.81 -59.64 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -40.36 -57.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.063 HD11 ' CE2' ' A' ' 29' ' ' TYR . 14.4 mt -50.23 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.974 ' OE1' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.84 -59.7 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' HD11 ' A' ' 54' ' ' ILE . 4.0 t70 -44.62 -43.21 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -57.69 -41.71 82.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.73 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.9 mt-30 -67.0 -9.68 41.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.974 HD21 ' OE1' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -106.16 -57.48 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -72.08 -42.68 65.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.1 mpp_? 61.88 40.04 13.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.677 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.5 t -170.93 105.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.862 ' HA ' HD11 ' A' ' 20' ' ' ILE . 3.5 m -43.53 -27.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' SER . 2.8 tt0 -70.81 -58.4 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 41' ' ' SER . 5.2 mt -64.1 -21.54 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 36' ' ' LEU . 7.7 m -70.4 -49.51 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.771 ' HA ' HD12 ' A' ' 49' ' ' ILE . 23.8 p -71.67 -32.83 68.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -28.83 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.51 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.7 m-20 -76.88 -37.62 55.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 46' ' ' THR . 4.1 mt -79.66 -58.57 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -39.85 -54.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -29.03 33.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.25 112.99 2.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -151.67 -54.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 31' ' ' LEU . 8.9 mt -73.07 93.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.08 110.89 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.1 t -137.7 135.33 18.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 85.17 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.776 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -131.78 -58.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.052 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -65.27 -58.77 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.54 106.73 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -51.73 140.41 19.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m 63.45 92.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.83 -172.32 40.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.39 86.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -91.26 91.71 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -129.0 -58.41 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB3' ' CB ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -101.67 85.94 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.2 tt0 -68.3 -67.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.799 HD23 HD23 ' A' ' 36' ' ' LEU . 1.5 mt -41.73 -51.76 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.1 t-20 -40.42 -44.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -61.66 -49.97 74.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.546 ' CB ' HD21 ' A' ' 36' ' ' LEU . 11.9 mtm -50.18 -58.45 5.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.33 -57.37 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 3.6 t60 -43.69 -63.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.575 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -44.01 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.831 HD11 ' HA ' ' A' ' 42' ' ' VAL . 92.6 mt -67.26 -53.71 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' PRO . 1.1 tm0? -38.7 -49.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 14.4 mt-10 -49.39 -56.68 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 5.2 mtm -69.64 -37.4 76.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' MET . 6.6 m-85 -131.41 80.76 66.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' GLN . 18.5 Cg_endo -74.95 -34.04 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -39.81 -53.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 28' ' ' PRO . 7.5 p -67.14 141.19 96.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.03 155.31 42.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -55.59 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -40.27 -55.54 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 28' ' ' PRO . 11.5 mt -54.53 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 36' ' ' LEU . 13.2 t -40.93 -63.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 14' ' ' ASN . 14.1 mt -40.97 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.647 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -38.76 -69.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.234 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.04 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.938 ' CD1' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -58.45 -43.85 88.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.689 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.5 mm-40 -64.97 -10.65 30.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -104.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 54.9 p -65.58 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 40' ' ' ARG . 5.9 mmm180 54.52 40.24 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.833 ' HB3' HD12 ' A' ' 44' ' ' ILE . 8.7 t -169.17 102.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.831 ' HA ' HD11 ' A' ' 20' ' ' ILE . 4.0 m -39.72 -30.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 41' ' ' SER . 1.9 tt0 -68.71 -54.51 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' HB3' ' A' ' 41' ' ' SER . 6.5 mt -65.65 -18.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.938 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -70.52 -55.06 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.459 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 61.5 p -66.44 -37.03 84.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -26.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.6 m-20 -80.73 -43.8 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' THR . 3.4 mt -72.27 -51.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -51.19 -22.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.22 21.4 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.57 80.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.586 1.179 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -114.47 -39.07 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 mt -87.42 92.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.24 99.96 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' H ' HG13 ' A' ' 56' ' ' VAL . 2.7 m -54.54 155.09 7.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.7 3.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 stop_ save_