data_1wgl_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 1wgl _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 ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.13 -24.5 22.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.53 -64.38 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.33 -38.31 18.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -59.21 -70.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -39.35 -41.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -52.27 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . 61.2 mt -59.79 -51.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.2 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.64 -47.66 66.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mmm -64.62 -42.66 95.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -126.61 76.19 74.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.0 -44.11 87.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mmm -50.71 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.13 135.01 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.88 -60.18 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.35 -32.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -75.77 -58.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.3 mt -42.29 -51.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' LEU . 26.5 mtt180 -64.9 -40.56 95.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -58.4 -17.35 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 71.3 t -93.96 -56.53 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 4.1 tp -50.52 -40.7 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -38.39 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.96 -6.49 58.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' VAL . 80.7 mm-40 -111.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 39.25 29.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 63.83 49.08 70.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -117.77 96.16 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' CE ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -44.45 -58.0 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.62 -61.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -51.55 -46.0 63.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.08 -63.13 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.441 HD12 ' CE ' ' A' ' 39' ' ' LYS . 60.0 mt -40.29 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.13 -45.39 91.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . 3.1 t -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.29 -50.35 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 mt -43.87 -60.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -20.96 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -66.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.31 -31.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -64.07 -70.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.01 -33.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -59.55 -55.54 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.0 mt -60.32 -48.3 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' PRO . 1.4 mm100 -42.2 -56.19 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -50.07 -45.26 52.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.5 mtp -66.6 -41.49 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -130.78 73.2 81.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.95 -32.63 5.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.4 mmm -54.38 156.63 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 68.9 m-20 -77.2 125.92 30.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.15 -50.15 49.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -33.26 21.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 96.0 t -76.31 -55.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.408 ' CD1' ' OE1' ' A' ' 17' ' ' GLN . 97.7 mt -43.41 -50.59 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' CZ ' HD12 ' A' ' 13' ' ' LEU . 14.9 mtt180 -66.18 -37.67 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -62.4 -15.21 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLN . 78.7 t -94.42 -51.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.6 tp -57.48 -39.48 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.05 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -15.98 60.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.9 mm-40 -101.4 32.45 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 45.52 33.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.85 40.98 89.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -108.42 86.32 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' ALA . 8.4 tttt -43.15 -61.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.59 -55.27 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.26 82.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -62.14 -51.89 66.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.0 mt -52.75 -53.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -54.72 -45.27 74.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -55.5 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.64 -52.39 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.05 -59.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -26.39 18.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -61.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.17 -40.67 47.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -57.72 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.32 -33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -66.27 -55.17 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' CD1' ' A' ' 46' ' ' LEU . 45.8 mt -55.21 -49.04 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.36 8.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.59 -38.49 54.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmm -76.27 -35.6 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -131.31 78.25 72.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -44.84 -35.11 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.427 ' CE ' HD22 ' A' ' 46' ' ' LEU . 46.2 mtp -59.2 165.35 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.44 132.92 46.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.8 mt-30 -47.37 -62.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.9 mm-40 -38.83 -40.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.87 -58.34 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.456 ' CG2' HD22 ' A' ' 13' ' ' LEU . 68.3 mt -43.65 -52.29 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NE ' HD11 ' A' ' 13' ' ' LEU . 20.4 mtp180 -61.42 -46.75 88.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.9 m -51.73 -21.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.1 t -91.62 -55.92 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 7.1 tp -53.68 -41.65 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -39.49 66.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 30' ' ' SER . . . -70.9 -21.55 62.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' VAL . 97.5 mm-40 -98.32 26.03 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 53.64 52.47 13.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.5 56.74 16.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -124.73 136.51 53.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -88.73 -47.9 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.15 -57.52 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.68 76.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.52 -60.79 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.4 mt -40.72 -58.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -45.76 -47.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.05 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 16' ' ' ILE . 16.8 mt -50.46 -50.4 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -57.03 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.36 -26.97 46.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -60.16 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -49.7 -41.87 44.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -57.88 -70.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.81 -33.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -64.93 -57.23 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' LEU . 65.3 mt -62.48 -49.14 85.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -52.68 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -55.96 -45.14 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 78.2 mtp -64.06 -42.66 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -124.78 73.9 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.93 2.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -58.9 -42.74 90.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mmm -54.91 172.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -96.33 129.26 43.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -53.31 -50.23 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.38 -35.12 7.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.52 -54.99 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' CG2' HD21 ' A' ' 13' ' ' LEU . 29.5 mt -44.16 -51.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' CD ' HD13 ' A' ' 13' ' ' LEU . 18.1 mtt85 -60.63 -49.33 77.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 2.6 t -49.4 -22.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.454 HG11 ' CB ' ' A' ' 42' ' ' ALA . 62.6 t -90.67 -55.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.7 tp -55.01 -39.38 69.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -27.79 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 30' ' ' SER . . . -82.91 -17.76 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' VAL . 96.1 mm-40 -98.45 24.66 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.36 22.76 13.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.7 43.49 8.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -107.77 144.26 35.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' CE ' HD13 ' A' ' 43' ' ' ILE . 1.3 ttpt -89.8 -66.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.94 -52.35 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.99 75.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -65.85 -51.05 62.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 HD13 ' CE ' ' A' ' 39' ' ' LYS . 67.2 mt -52.62 -55.41 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -47.99 -39.25 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.22 -54.53 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.04 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.07 -61.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -21.98 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -67.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.69 -38.47 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.27 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -40.33 -51.2 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -40.32 -52.76 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.29 -54.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -51.72 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.54 -40.46 71.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.3 mtp -71.67 -38.54 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.17 75.41 74.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -54.12 -36.48 63.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.463 ' CE ' HD21 ' A' ' 46' ' ' LEU . 44.1 mtp -56.42 168.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.96 128.4 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -48.98 -63.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -39.03 -41.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.94 -60.84 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.2 mt -40.77 -50.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' CZ ' HD22 ' A' ' 13' ' ' LEU . 12.3 mtt180 -66.67 -40.77 88.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -55.77 -18.81 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' GLN . 79.0 t -92.24 -56.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.9 tp -52.9 -41.73 64.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -41.48 69.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -13.94 61.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.1 mm-40 -101.84 29.77 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 54.54 22.65 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 79.22 37.19 25.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 9.5 t-20 -104.59 110.33 22.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CE ' HD11 ' A' ' 43' ' ' ILE . 1.3 ttpt -65.29 -53.17 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -51.87 -47.41 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -67.46 -38.73 84.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.02 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.442 HD11 ' CE ' ' A' ' 39' ' ' LYS . 89.8 mt -51.53 -54.1 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -53.97 -38.18 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -45.75 69.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.9 mt -63.24 -48.6 77.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.62 -61.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.32 -25.19 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -54.73 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.19 -44.35 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -56.86 -70.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.44 -36.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.88 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' ILE . 57.8 mt -54.16 -49.14 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -51.93 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -51.61 -45.22 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.6 mmm -67.07 -37.19 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.17 75.11 80.61 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.1 -48.31 79.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mmm -51.34 177.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -95.76 135.43 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.64 -58.92 6.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.38 -27.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 79.4 t -80.39 -51.58 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 16' ' ' ILE . 31.1 mt -54.66 -31.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 8.1 ttt85 -84.45 -24.85 29.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -74.61 -16.08 60.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 79.1 t -93.3 -51.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.87 -39.58 62.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -35.7 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.33 -6.84 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' VAL . 89.2 mm-40 -109.71 41.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 44.24 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 74.89 45.66 20.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -105.55 143.0 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -91.28 -57.85 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -53.02 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.08 81.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.44 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.16 -44.89 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 5.2 t30 -58.73 -55.6 32.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.06 -52.46 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.41 -56.57 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -43.32 -60.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 44' ' ' ASN . 2.3 mp0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.15 -25.34 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.82 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.72 -33.16 71.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -68.9 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.23 -30.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -61.64 -59.62 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' ILE . 76.7 mt -53.35 -53.73 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.81 -51.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.18 -47.78 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mmm -63.78 -38.3 90.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -129.75 75.49 79.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.67 4.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -60.86 -44.6 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.7 mmm -54.9 177.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m-20 -93.83 128.97 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.76 -55.43 34.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -47.04 -35.1 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 79.3 t -72.67 -53.55 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 16' ' ' ILE . 34.5 mt -52.62 -30.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 -23.59 29.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -15.17 59.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 86.2 t -93.01 -50.28 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 4.2 tp -52.09 -42.35 63.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -41.72 78.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -10.11 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' VAL . 91.1 mm-40 -106.58 37.44 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 44.93 26.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.79 41.82 55.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.09 . . . . 0.0 111.057 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.45 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 6.7 ttpm? -53.49 -62.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -59.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -51.96 -44.43 63.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -60.77 -62.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.17 -48.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ALA . 1.4 t -62.03 -48.79 78.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.54 -50.83 71.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 mt -41.12 -60.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.94 -27.19 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.78 -45.36 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' OD2' ' CD2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.75 -47.62 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -46.49 -71.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.49 -46.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.44 -56.88 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CG1' ' HG3' ' A' ' 39' ' ' LYS . 86.7 mt -59.5 -55.82 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.17 -58.61 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.38 -45.33 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ILE . 2.9 mtp -70.87 -33.08 70.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -134.92 79.85 50.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.94 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -44.2 -41.48 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.79 158.64 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.52 132.28 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.83 -41.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -65.68 -53.73 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.9 mt -43.13 -48.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 13' ' ' LEU . 33.9 mtt180 -63.1 -45.13 93.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -16.7 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.7 t -92.55 -52.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD2' ' OD2' ' A' ' 12' ' ' ASP . 14.5 tp -58.18 -40.21 80.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.67 -38.95 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.6 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -107.69 40.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 42.07 38.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.91 48.12 87.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 15.0 t-20 -117.15 99.08 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 4.8 ttpt -52.51 -60.8 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.77 -60.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -51.06 -45.07 61.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.15 74.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -48.55 -41.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -67.89 -45.0 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 16' ' ' ILE . 8.7 mt -64.07 -54.18 38.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 mt -41.36 -60.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.49 -24.82 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.46 -43.9 84.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -66.5 -37.55 85.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -61.58 -70.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.3 -39.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -60.1 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 28' ' ' ILE . 83.1 mt -52.32 -47.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -52.39 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.29 -46.19 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.28 -37.36 86.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -131.22 76.13 76.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -32.36 5.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.46 -48.28 80.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.0 mmm -51.23 172.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -92.22 135.58 33.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 27' ' ' VAL . 5.0 mt-30 -60.66 -56.49 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -26.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 25' ' ' GLN . 95.7 t -83.2 -55.46 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 16' ' ' ILE . 23.6 mt -48.11 -31.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -83.67 -35.05 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 t -65.8 -14.21 60.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.9 t -94.48 -54.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.2 tp -53.34 -39.62 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.14 -31.22 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.02 -9.27 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' VAL . 94.4 mm-40 -105.62 24.98 11.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 63.35 12.03 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 91.4 38.85 5.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -97.29 140.22 32.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -90.54 -49.32 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -67.72 -50.45 57.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -57.54 -36.24 71.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.74 21.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -50.85 -50.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -56.91 -43.86 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -46.72 89.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.44 -54.03 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mt -42.74 -60.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -27.95 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -62.95 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.94 -53.07 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' CD ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.57 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -51.73 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 84.6 mt -55.77 -57.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -51.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.68 -48.96 66.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ILE . 8.8 mmm -61.37 -39.78 91.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -129.48 77.54 77.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -57.73 -41.69 82.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.9 mmm -56.74 169.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.74 135.5 37.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.13 -56.48 19.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -41.99 -37.37 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -71.73 -55.58 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -44.73 -53.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CD ' HD13 ' A' ' 13' ' ' LEU . 20.1 mtm180 -59.86 -49.09 79.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.07 -23.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLN . 78.0 t -90.37 -55.2 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.5 tp -54.77 -39.39 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -29.98 62.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.92 -16.69 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . 93.6 mm-40 -99.25 27.07 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.68 21.96 6.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.8 43.81 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.616 HD21 ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -107.36 146.95 30.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.616 ' N ' HD21 ' A' ' 38' ' ' ASN . 9.5 ttpt -90.62 -61.5 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -53.03 39.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . -56.84 -41.99 78.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . . . -63.89 -60.21 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -43.71 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -40.99 -57.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 t -51.51 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.4 mt -45.19 -54.54 6.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.2 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.43 -21.47 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -57.8 5.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.6 -54.68 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -43.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.37 -51.59 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' MET . 86.5 mt -55.59 -58.33 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -50.44 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' ILE . 7.8 mmm -59.65 -32.46 70.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.45 78.53 44.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -30.51 7.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.62 -43.55 93.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mmm -52.82 174.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -101.19 131.16 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.25 -58.49 7.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -40.05 -39.88 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.42 -56.0 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.3 mt -44.22 -54.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -59.24 -40.78 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -22.01 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.5 t -90.56 -54.1 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 37' ' ' GLY . 65.6 tp -51.95 -44.17 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.34 -26.53 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.8 -5.76 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' VAL . 80.2 mm-40 -112.61 21.97 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 11.97 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 90.72 38.55 6.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -96.13 146.0 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -92.83 -53.68 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.86 -48.26 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -57.0 -39.67 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -68.11 -60.06 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.6 mt -41.36 -57.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -48.07 -41.64 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.0 t -65.5 -58.48 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.03 -54.03 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -40.5 -61.47 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -83.75 -22.27 31.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.57 -44.34 35.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.25 -30.49 70.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -70.49 -70.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.34 -41.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . . . -52.57 -60.29 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 28' ' ' ILE . 52.5 mt -51.78 -50.34 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.41 -52.97 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.07 -47.35 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmm -64.01 -36.96 85.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -129.97 77.02 77.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -42.6 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -52.21 -45.24 65.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.459 ' CE ' HD23 ' A' ' 46' ' ' LEU . 34.0 mmm -54.41 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.97 126.46 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' CG ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -51.13 -59.88 3.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.6 -39.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' SER . 91.0 t -72.42 -54.41 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 16' ' ' ILE . 29.8 mt -50.3 -31.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -84.47 -25.71 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.5 t -75.14 -15.87 60.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.79 -49.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 4.9 tp -54.6 -42.56 71.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.79 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.68 -7.22 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' ASN . 82.8 mm-40 -113.46 45.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.85 29.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 72.17 47.08 31.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 5.5 t-20 -108.53 130.69 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CE ' ' HB3' ' A' ' 15' ' ' ALA . 2.8 tttm -81.82 -53.84 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.6 -54.04 49.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.63 84.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 38' ' ' ASN . . . -59.03 -53.53 57.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt -49.73 -57.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -53.51 -45.0 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -42.25 94.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD23 ' CE ' ' A' ' 23' ' ' MET . 4.4 mt -65.58 -54.25 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.76 -55.19 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 -29.86 22.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -54.59 20.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.01 -46.41 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.5 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -39.17 -32.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -63.88 -58.34 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.434 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 54.6 mt -55.35 -46.28 78.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.68 -50.95 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.04 -43.04 73.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.2 mtp -66.76 -39.44 87.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -131.49 76.8 74.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -49.49 -46.55 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 mmm -55.73 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 63.6 m-20 -99.64 137.49 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.54 -58.65 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 70.6 t -77.46 -53.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.438 HG21 ' CD2' ' A' ' 13' ' ' LEU . 32.4 mt -52.89 -28.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -15.92 61.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.1 t -93.3 -53.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.5 tp -51.22 -41.77 60.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -42.22 72.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.3 -15.33 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ASN . 94.4 mm-40 -103.55 35.1 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.95 33.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.83 38.81 89.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLN . 22.4 t-20 -105.34 84.34 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 1.3 ttpm? -41.04 -62.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -40.96 -55.23 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.61 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -53.78 -56.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -50.61 -42.59 56.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -52.25 64.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.7 mt -59.49 -50.82 72.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.34 -56.62 8.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.27 -27.71 18.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.05 -51.56 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -59.76 -48.18 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.44 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -38.98 -45.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.11 -52.05 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 92.6 mt -68.97 -54.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -53.16 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -52.47 -48.21 66.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtp -62.26 -45.46 93.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -124.5 75.74 62.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.32 6.35 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.0 -41.65 88.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.421 ' HE2' ' CD2' ' A' ' 46' ' ' LEU . 63.2 mmm -59.87 168.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.4 m-20 -89.23 137.86 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.89 -60.6 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -31.35 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 89.4 t -74.36 -57.84 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 mt -42.26 -50.45 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -58.54 -46.91 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -23.17 40.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.3 t -84.88 -53.04 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' CD2' ' OD2' ' A' ' 12' ' ' ASP . 22.1 tp -58.98 -38.0 78.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -42.25 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -13.79 61.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -104.51 38.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.21 39.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.52 50.46 64.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -117.3 98.24 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 4.6 ttpt -50.47 -58.82 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.29 -64.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.04 -38.16 23.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -51.73 59.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.463 HD11 ' CE ' ' A' ' 39' ' ' LYS . 91.2 mt -51.92 -53.68 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.04 -44.6 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.66 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' CD2' ' HE2' ' A' ' 23' ' ' MET . 2.3 mt -56.89 -53.75 54.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 mt -40.64 -61.4 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 2.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -78.69 -26.08 44.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.52 -55.69 18.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.85 -48.4 72.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -43.46 -70.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 8.9 mtmt -39.52 -46.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.68 -50.36 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 46' ' ' LEU . 62.0 mt -62.69 -52.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -54.38 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -49.08 -44.36 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 mmm -69.88 -40.33 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -128.59 77.3 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -40.81 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -53.99 -43.52 70.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 75.7 mmm -55.17 170.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 139.15 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.26 -58.29 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -44.57 -36.28 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 -57.47 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.4 mt -41.52 -51.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -62.73 -41.6 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -61.41 -15.65 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -91.67 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA2' ' A' ' 37' ' ' GLY . 45.7 tp -54.56 -37.48 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.81 -43.79 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.16 -8.48 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' ASN . 88.6 mm-40 -108.77 43.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLN . 2.7 mtt180 38.75 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 64.26 49.55 65.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -116.66 93.05 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 9.2 ttpp -41.89 -56.33 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -47.18 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -48.37 -41.09 27.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.97 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.9 mt -44.12 -55.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -54.43 -45.63 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 16' ' ' ILE . 13.5 mt -57.97 -51.68 68.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -44.47 -60.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.87 -25.37 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.95 -57.36 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.47 -49.07 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.02 -70.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.8 mmtt -39.06 -47.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.82 -57.21 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 46' ' ' LEU . 74.7 mt -66.89 -50.02 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -50.75 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -54.24 -47.42 72.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.7 mtp -61.85 -35.07 77.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -132.01 77.05 72.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -53.89 -41.41 67.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 83.0 mmm -58.06 169.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 135.68 42.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.08 -53.04 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -39.51 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.33 -57.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.9 mt -44.01 -55.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.63 -34.45 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -22.11 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLN . 91.7 t -85.63 -49.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD2' ' OD1' ' A' ' 12' ' ' ASP . 5.3 tp -50.43 -59.26 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.15 -32.15 67.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.2 -11.77 59.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 77.3 mm-40 -115.34 41.87 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 39.54 31.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.47 47.82 33.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 15.9 t-20 -107.54 140.98 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -89.13 -52.51 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.57 -60.03 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . . . -53.63 -40.75 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 38' ' ' ASN . . . -61.77 -50.44 72.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.9 mt -54.94 -62.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -45.72 -40.84 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -62.5 -53.62 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 16' ' ' ILE . 5.6 mt -58.66 -51.71 68.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 mt -42.01 -62.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.76 -22.84 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.6 -48.13 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.17 -39.74 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -56.09 -70.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 mttt -39.03 -42.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.19 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.84 -52.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -52.5 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -52.0 -45.37 64.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.7 mmm -67.4 -37.92 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' HB3' ' CG ' ' A' ' 23' ' ' MET . 31.1 m-85 -127.85 75.46 78.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.75 7.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -69.21 -37.15 77.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 20' ' ' PHE . 79.6 mmm -58.35 172.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.8 m-20 -98.58 131.51 44.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.84 -49.44 75.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.19 -30.31 6.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 86.7 t -78.67 -54.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.0 mt -44.31 -49.49 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -59.97 -48.8 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.9 m -50.66 -25.43 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 42' ' ' ALA . 61.6 t -89.89 -51.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.61 -40.62 75.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -31.29 63.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.8 -9.51 58.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' VAL . 88.9 mm-40 -110.96 45.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 39.84 31.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.96 48.44 48.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 8.8 t-20 -104.22 148.53 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -92.89 -56.63 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.5 70.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . . . -59.57 -45.39 91.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.36 -60.61 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -40.35 -45.33 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -48.55 -32.55 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.97 -54.94 40.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -17.95 34.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.48 -51.83 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -60.39 -40.83 92.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -60.08 -70.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.29 -42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.11 -52.4 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 28' ' ' ILE . 64.4 mt -60.71 -50.43 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.46 -51.18 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -51.65 -46.39 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.27 -35.25 80.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -133.27 76.69 68.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.03 4.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -62.68 -46.05 89.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mmm -51.38 175.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.5 m-20 -92.71 130.8 38.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.417 ' NE2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt-30 -58.75 -55.78 30.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -30.88 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 94.9 t -76.2 -54.34 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 16' ' ' ILE . 50.9 mt -51.04 -32.33 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -82.97 -24.81 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -74.24 -19.53 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.82 -44.37 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 8.6 tp -57.67 -41.65 81.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -26.34 61.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.13 -5.78 56.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 74.1 mm-40 -117.63 48.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 39.31 28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 70.29 49.35 33.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.4 m-80 -101.08 146.58 27.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -92.83 -51.42 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.43 -48.29 67.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -57.95 -44.73 87.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.89 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -51.81 -53.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -50.97 -46.9 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -47.79 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.39 -46.14 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -58.73 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.5 -27.01 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.26 -58.39 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 13' ' ' LEU . 12.1 p-10 -53.14 -57.47 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -46.09 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.58 -54.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.07 -55.66 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CG1' ' HG3' ' A' ' 39' ' ' LYS . 65.0 mt -57.8 -52.26 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -52.2 3.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.28 -46.1 65.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -67.23 -37.49 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -129.57 76.99 77.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -44.53 -47.2 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.3 mmm -50.74 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.45 132.97 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -62.57 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -40.73 -34.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -75.69 -54.17 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.458 HG23 ' CG2' ' A' ' 16' ' ' ILE . 16.3 mt -50.12 -31.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 6.7 ttm180 -84.34 -30.88 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -71.65 -13.23 61.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t -94.71 -52.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.2 -39.45 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -37.93 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.89 -8.83 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' ASN . 90.1 mm-40 -109.56 42.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 42.26 29.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.01 44.75 87.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -112.87 90.16 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 29.0 tttt -42.41 -58.3 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -43.87 -62.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -50.48 -45.12 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.7 -61.24 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -40.36 -50.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -59.86 -44.96 93.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' ALA . 20.9 t -61.44 -49.38 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.36 -53.22 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -42.49 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.87 -25.63 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.12 -58.77 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.4 -57.7 9.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -44.56 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -48.84 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 28' ' ' ILE . 54.6 mt -61.96 -50.97 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -52.3 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -53.7 -43.07 68.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' ILE . 6.2 mmm -71.7 -32.87 68.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -133.27 77.6 66.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -47.94 -37.99 15.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.449 ' HE1' ' CD2' ' A' ' 46' ' ' LEU . 37.8 mtp -56.9 175.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 10.2 m-20 -100.11 129.1 46.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -60.44 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -44.88 -40.48 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' CE ' ' A' ' 23' ' ' MET . 63.1 t -68.59 -53.37 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.45 HG22 ' CG2' ' A' ' 16' ' ' ILE . 49.3 mt -51.61 -36.58 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -79.73 -24.55 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -75.72 -16.32 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -92.19 -48.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.78 -42.72 84.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -41.92 75.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 -10.23 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -110.45 41.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 46.1 25.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.88 20.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 5.7 t-20 -107.16 127.0 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -79.49 -51.18 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.16 -54.34 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -47.6 82.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 38' ' ' ASN . . . -57.78 -55.5 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.01 -50.7 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -57.28 -52.08 66.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -37.69 63.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 3.5 mt -71.44 -53.54 13.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.04 -55.08 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.226 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 56.74 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.79 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.27 92.45 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -45.9 -63.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.23 92.05 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.76 -139.67 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 p -49.44 168.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.86 153.37 18.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.13 -24.5 22.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.53 -64.38 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.33 -38.31 18.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -59.21 -70.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -39.35 -41.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -52.27 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . 61.2 mt -59.79 -51.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.2 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.64 -47.66 66.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mmm -64.62 -42.66 95.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -126.61 76.19 74.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.0 -44.11 87.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mmm -50.71 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.13 135.01 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.88 -60.18 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.35 -32.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -75.77 -58.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.3 mt -42.29 -51.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' LEU . 26.5 mtt180 -64.9 -40.56 95.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -58.4 -17.35 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 71.3 t -93.96 -56.53 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 4.1 tp -50.52 -40.7 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -38.39 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.96 -6.49 58.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' VAL . 80.7 mm-40 -111.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 39.25 29.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 63.83 49.08 70.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -117.77 96.16 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' CE ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -44.45 -58.0 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.62 -61.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -51.55 -46.0 63.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.08 -63.13 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 HD12 ' CE ' ' A' ' 39' ' ' LYS . 60.0 mt -40.29 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.13 -45.39 91.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . 3.1 t -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.29 -50.35 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 mt -43.87 -60.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.4 -57.27 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.2 mmm -45.45 135.71 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.61 33.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -138.5 123.52 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.22 150.82 37.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.95 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 m -55.53 162.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.85 -156.92 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.75 24.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.0 p -136.7 125.91 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -134.03 -58.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -153.53 117.86 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p 41.26 83.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.7 -64.31 4.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.31 -60.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 p -173.57 106.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.16 -145.77 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 m -123.53 178.34 5.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.91 160.01 39.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -20.96 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -66.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.31 -31.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -64.07 -70.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.01 -33.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -59.55 -55.54 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.0 mt -60.32 -48.3 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' PRO . 1.4 mm100 -42.2 -56.19 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -50.07 -45.26 52.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.5 mtp -66.6 -41.49 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -130.78 73.2 81.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.95 -32.63 5.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.4 mmm -54.38 156.63 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 68.9 m-20 -77.2 125.92 30.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.15 -50.15 49.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -33.26 21.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 96.0 t -76.31 -55.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.408 ' CD1' ' OE1' ' A' ' 17' ' ' GLN . 97.7 mt -43.41 -50.59 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' CZ ' HD12 ' A' ' 13' ' ' LEU . 14.9 mtt180 -66.18 -37.67 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -62.4 -15.21 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLN . 78.7 t -94.42 -51.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.6 tp -57.48 -39.48 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.05 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -15.98 60.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.9 mm-40 -101.4 32.45 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 45.52 33.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.85 40.98 89.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -108.42 86.32 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' ALA . 8.4 tttt -43.15 -61.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.59 -55.27 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.26 82.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -62.14 -51.89 66.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.0 mt -52.75 -53.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -54.72 -45.27 74.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -55.5 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.64 -52.39 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.05 -59.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -57.52 11.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.3 mtp -42.12 125.14 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.09 -104.32 2.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -156.4 138.28 14.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 156.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.88 20.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.6 t -62.51 143.28 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.48 -91.0 0.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m 72.0 -68.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 91.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -148.84 133.99 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -57.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.31 137.69 9.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -154.88 144.45 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.78 78.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.03 -78.65 0.22 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -170.48 170.96 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.66 155.68 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -26.39 18.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -61.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.17 -40.67 47.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -57.72 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.32 -33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -66.27 -55.17 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG22 ' CD1' ' A' ' 46' ' ' LEU . 45.8 mt -55.21 -49.04 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.36 8.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.59 -38.49 54.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmm -76.27 -35.6 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -131.31 78.25 72.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -44.84 -35.11 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.427 ' CE ' HD22 ' A' ' 46' ' ' LEU . 46.2 mtp -59.2 165.35 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.44 132.92 46.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.8 mt-30 -47.37 -62.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.9 mm-40 -38.83 -40.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.87 -58.34 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 ' CG2' HD22 ' A' ' 13' ' ' LEU . 68.3 mt -43.65 -52.29 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NE ' HD11 ' A' ' 13' ' ' LEU . 20.4 mtp180 -61.42 -46.75 88.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 4.9 m -51.73 -21.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.1 t -91.62 -55.92 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 7.1 tp -53.68 -41.65 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -39.49 66.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 30' ' ' SER . . . -70.9 -21.55 62.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' VAL . 97.5 mm-40 -98.32 26.03 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 53.64 52.47 13.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.5 56.74 16.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -124.73 136.51 53.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -88.73 -47.9 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.15 -57.52 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.68 76.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.52 -60.79 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.4 mt -40.72 -58.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -45.76 -47.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.05 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 16' ' ' ILE . 16.8 mt -50.46 -50.4 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -57.03 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -54.56 33.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.414 ' HE2' ' CG2' ' A' ' 31' ' ' VAL . 19.4 mtt -49.49 127.6 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 88.52 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 39.01 90.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CG ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -131.13 150.68 77.24 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 52' ' ' GLU . 18.3 Cg_endo -74.96 163.94 34.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -50.69 18.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.27 114.81 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.78 4.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -174.58 160.48 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.85 84.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -124.11 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p 179.13 95.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.0 172.86 35.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -104.54 169.71 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.81 152.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 -152.67 14.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -47.65 167.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.66 145.26 14.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.36 -26.97 46.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -60.16 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -49.7 -41.87 44.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -57.88 -70.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.81 -33.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -64.93 -57.23 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' LEU . 65.3 mt -62.48 -49.14 85.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -52.68 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -55.96 -45.14 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 78.2 mtp -64.06 -42.66 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -124.78 73.9 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.93 2.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -58.9 -42.74 90.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mmm -54.91 172.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -96.33 129.26 43.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -53.31 -50.23 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.38 -35.12 7.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.52 -54.99 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.414 ' CG2' HD21 ' A' ' 13' ' ' LEU . 29.5 mt -44.16 -51.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' CD ' HD13 ' A' ' 13' ' ' LEU . 18.1 mtt85 -60.63 -49.33 77.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 2.6 t -49.4 -22.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.454 HG11 ' CB ' ' A' ' 42' ' ' ALA . 62.6 t -90.67 -55.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.7 tp -55.01 -39.38 69.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -27.79 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 30' ' ' SER . . . -82.91 -17.76 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' VAL . 96.1 mm-40 -98.45 24.66 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.36 22.76 13.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.7 43.49 8.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -107.77 144.26 35.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' CE ' HD13 ' A' ' 43' ' ' ILE . 1.3 ttpt -89.8 -66.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.94 -52.35 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.99 75.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -65.85 -51.05 62.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.414 HD13 ' CE ' ' A' ' 39' ' ' LYS . 67.2 mt -52.62 -55.41 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -47.99 -39.25 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.22 -54.53 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.04 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.07 -61.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -56.05 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.2 mtm -50.29 133.11 24.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.33 -167.41 33.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 58.43 79.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -102.36 109.93 61.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 63.93 6.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.3 t 42.01 84.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.89 -147.19 0.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 t -105.69 -59.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.7 p -49.83 119.33 3.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -70.49 -58.24 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 168.37 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.44 67.74 0.38 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.63 129.24 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 0.805 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.62 144.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.54 167.35 15.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 p -49.2 161.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.42 130.45 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -21.98 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -67.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.69 -38.47 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.27 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -40.33 -51.2 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -40.32 -52.76 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.29 -54.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -51.72 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.54 -40.46 71.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.3 mtp -71.67 -38.54 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.17 75.41 74.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -54.12 -36.48 63.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.463 ' CE ' HD21 ' A' ' 46' ' ' LEU . 44.1 mtp -56.42 168.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.96 128.4 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -48.98 -63.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -39.03 -41.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.94 -60.84 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.2 mt -40.77 -50.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' CZ ' HD22 ' A' ' 13' ' ' LEU . 12.3 mtt180 -66.67 -40.77 88.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -55.77 -18.81 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' GLN . 79.0 t -92.24 -56.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.9 tp -52.9 -41.73 64.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -41.48 69.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -13.94 61.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.1 mm-40 -101.84 29.77 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 54.54 22.65 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 79.22 37.19 25.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 9.5 t-20 -104.59 110.33 22.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CE ' HD11 ' A' ' 43' ' ' ILE . 1.3 ttpt -65.29 -53.17 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -51.87 -47.41 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -67.46 -38.73 84.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.02 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 HD11 ' CE ' ' A' ' 39' ' ' LYS . 89.8 mt -51.53 -54.1 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -53.97 -38.18 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -45.75 69.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.9 mt -63.24 -48.6 77.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.62 -61.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -53.63 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.6 mtt -45.58 127.54 7.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.47 -139.85 41.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.97 110.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -74.6 150.05 86.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.99 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.7 p -110.96 86.61 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.45 157.23 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 162.09 37.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.53 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 p -85.97 170.13 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 p -77.41 160.84 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -46.61 -56.7 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.38 -115.77 6.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.73 94.94 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -110.3 121.85 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.43 176.07 29.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.8 p -50.77 172.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.64 152.02 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.32 -25.19 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -54.73 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.19 -44.35 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -56.86 -70.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.44 -36.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.88 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' ILE . 57.8 mt -54.16 -49.14 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -51.93 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -51.61 -45.22 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.6 mmm -67.07 -37.19 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.17 75.11 80.61 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.1 -48.31 79.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mmm -51.34 177.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -95.76 135.43 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.64 -58.92 6.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.38 -27.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 79.4 t -80.39 -51.58 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 16' ' ' ILE . 31.1 mt -54.66 -31.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 8.1 ttt85 -84.45 -24.85 29.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -74.61 -16.08 60.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 79.1 t -93.3 -51.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.87 -39.58 62.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -35.7 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.33 -6.84 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' VAL . 89.2 mm-40 -109.71 41.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 44.24 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 74.89 45.66 20.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -105.55 143.0 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -91.28 -57.85 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -53.02 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.08 81.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.44 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.16 -44.89 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 5.2 t30 -58.73 -55.6 32.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.06 -52.46 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.41 -56.57 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -43.32 -60.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 44' ' ' ASN . 2.3 mp0 -58.2 -60.47 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.0 mmm -41.02 142.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.8 95.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.98 92.94 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.11 151.34 39.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 62.84 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 p -175.9 126.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.0 157.32 7.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.51 14.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m 54.23 170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -57.44 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -156.9 -66.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.64 144.14 31.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.37 114.29 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -141.47 112.04 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -173.07 84.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.24 -108.88 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 p -47.69 169.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.81 155.07 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.15 -25.34 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.82 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.72 -33.16 71.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -68.9 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.23 -30.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -61.64 -59.62 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' ILE . 76.7 mt -53.35 -53.73 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.81 -51.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.18 -47.78 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mmm -63.78 -38.3 90.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -129.75 75.49 79.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.67 4.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -60.86 -44.6 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.7 mmm -54.9 177.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m-20 -93.83 128.97 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.76 -55.43 34.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -47.04 -35.1 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 79.3 t -72.67 -53.55 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 16' ' ' ILE . 34.5 mt -52.62 -30.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 -23.59 29.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -15.17 59.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 86.2 t -93.01 -50.28 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 4.2 tp -52.09 -42.35 63.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -41.72 78.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -10.11 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' VAL . 91.1 mm-40 -106.58 37.44 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 44.93 26.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.79 41.82 55.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.09 . . . . 0.0 111.057 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.45 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 6.7 ttpm? -53.49 -62.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -59.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -51.96 -44.43 63.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -60.77 -62.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.17 -48.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ALA . 1.4 t -62.03 -48.79 78.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.54 -50.83 71.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 mt -41.12 -60.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -58.6 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -47.76 156.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.1 -161.66 26.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 56.3 83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.28 151.46 59.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.01 4.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 t -126.79 -69.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.07 161.01 29.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 121.06 6.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.4 t -68.61 93.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.05 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 77.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 p -145.95 154.55 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.29 147.75 19.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 t -69.67 73.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -119.17 163.72 16.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.39 -105.0 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 p -86.3 169.46 12.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.8 155.31 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.94 -27.19 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.78 -45.36 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' OD2' ' CD2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.75 -47.62 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -46.49 -71.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.49 -46.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.44 -56.88 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CG1' ' HG3' ' A' ' 39' ' ' LYS . 86.7 mt -59.5 -55.82 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.17 -58.61 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.38 -45.33 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ILE . 2.9 mtp -70.87 -33.08 70.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -134.92 79.85 50.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.94 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -44.2 -41.48 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.79 158.64 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.52 132.28 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.83 -41.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -65.68 -53.73 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.9 mt -43.13 -48.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 13' ' ' LEU . 33.9 mtt180 -63.1 -45.13 93.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -16.7 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.7 t -92.55 -52.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD2' ' OD2' ' A' ' 12' ' ' ASP . 14.5 tp -58.18 -40.21 80.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.67 -38.95 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.6 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -107.69 40.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 42.07 38.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.91 48.12 87.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 15.0 t-20 -117.15 99.08 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 4.8 ttpt -52.51 -60.8 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.77 -60.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -51.06 -45.07 61.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.15 74.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -48.55 -41.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -67.89 -45.0 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 16' ' ' ILE . 8.7 mt -64.07 -54.18 38.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 mt -41.36 -60.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -57.42 12.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.1 mtp -41.63 143.84 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.28 -174.73 30.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -147.12 113.71 6.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.64 133.96 24.44 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.16 32.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.9 m 42.45 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.85 -177.42 15.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -68.06 115.08 7.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -98.06 100.57 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.47 139.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 136.22 50.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.033 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.51 108.07 2.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -157.07 -57.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.69 -56.07 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.72 -108.79 3.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 m -66.76 -176.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -166.37 158.6 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.49 -24.82 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.46 -43.9 84.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -66.5 -37.55 85.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -61.58 -70.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.3 -39.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -60.1 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 28' ' ' ILE . 83.1 mt -52.32 -47.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -52.39 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.29 -46.19 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.28 -37.36 86.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -131.22 76.13 76.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -32.36 5.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.46 -48.28 80.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.0 mmm -51.23 172.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -92.22 135.58 33.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 27' ' ' VAL . 5.0 mt-30 -60.66 -56.49 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -26.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 25' ' ' GLN . 95.7 t -83.2 -55.46 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 16' ' ' ILE . 23.6 mt -48.11 -31.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -83.67 -35.05 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 t -65.8 -14.21 60.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.9 t -94.48 -54.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.2 tp -53.34 -39.62 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.14 -31.22 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.02 -9.27 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' VAL . 94.4 mm-40 -105.62 24.98 11.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 63.35 12.03 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 91.4 38.85 5.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -97.29 140.22 32.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -90.54 -49.32 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -67.72 -50.45 57.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -57.54 -36.24 71.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.74 21.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -50.85 -50.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -56.91 -43.86 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -46.72 89.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.44 -54.03 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mt -42.74 -60.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -61.8 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.6 mmm -44.16 138.79 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 172.42 -110.01 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.59 125.56 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -85.34 151.74 56.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 60.55 5.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -147.34 -64.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.1 -179.2 31.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.26 14.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.77 124.25 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.7 m -66.51 137.48 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -131.76 81.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 41.96 80.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.95 93.18 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.75 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -127.15 -58.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.06 -139.85 20.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -47.71 170.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.5 142.63 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -27.95 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -62.95 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' OD1' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.94 -53.07 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' CD ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.57 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -51.73 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 84.6 mt -55.77 -57.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -51.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.68 -48.96 66.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ILE . 8.8 mmm -61.37 -39.78 91.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -129.48 77.54 77.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -57.73 -41.69 82.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.9 mmm -56.74 169.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.74 135.5 37.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.13 -56.48 19.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -41.99 -37.37 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -71.73 -55.58 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -44.73 -53.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CD ' HD13 ' A' ' 13' ' ' LEU . 20.1 mtm180 -59.86 -49.09 79.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.07 -23.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLN . 78.0 t -90.37 -55.2 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.5 tp -54.77 -39.39 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -29.98 62.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.92 -16.69 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . 93.6 mm-40 -99.25 27.07 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.68 21.96 6.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.8 43.81 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.616 HD21 ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -107.36 146.95 30.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.616 ' N ' HD21 ' A' ' 38' ' ' ASN . 9.5 ttpt -90.62 -61.5 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -53.03 39.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . -56.84 -41.99 78.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . . . -63.89 -60.21 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -43.71 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -40.99 -57.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 t -51.51 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.4 mt -45.19 -54.54 6.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.2 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -58.35 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.5 mtt -41.8 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.37 -163.59 35.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -96.09 88.1 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.27 148.44 37.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 63.96 5.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.34 77.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.89 -143.29 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' SER . 18.3 Cg_endo -74.95 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 m 69.09 -64.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' PRO . 15.0 m -135.4 -57.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.84 99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -82.8 -58.81 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.66 99.58 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.83 161.93 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -150.68 128.91 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.12 52.34 1.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -171.18 172.94 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.78 147.66 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.43 -21.47 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -57.8 5.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.6 -54.68 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -43.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.37 -51.59 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' MET . 86.5 mt -55.59 -58.33 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -50.44 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' ILE . 7.8 mmm -59.65 -32.46 70.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.45 78.53 44.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -30.51 7.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.62 -43.55 93.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mmm -52.82 174.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -101.19 131.16 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.25 -58.49 7.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -40.05 -39.88 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.42 -56.0 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.3 mt -44.22 -54.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -59.24 -40.78 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -22.01 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.5 t -90.56 -54.1 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 37' ' ' GLY . 65.6 tp -51.95 -44.17 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.34 -26.53 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.8 -5.76 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' VAL . 80.2 mm-40 -112.61 21.97 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 11.97 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 90.72 38.55 6.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -96.13 146.0 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -92.83 -53.68 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.86 -48.26 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -57.0 -39.67 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -68.11 -60.06 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.6 mt -41.36 -57.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -48.07 -41.64 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.0 t -65.5 -58.48 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.03 -54.03 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -40.5 -61.47 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -52.12 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.1 mtp -52.21 132.81 34.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.42 -145.87 16.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.99 103.67 15.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.98 154.74 58.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.37 17.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.14 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.32 156.84 27.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.02 4.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.1 p -88.77 124.96 34.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -105.99 101.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.34 151.69 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -102.22 167.87 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.67 -110.91 1.04 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -137.67 115.12 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -121.12 -58.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.063 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . 59.61 -133.34 51.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 9' ' ' SER . 13.8 p 41.97 -154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.421 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 172.75 140.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -83.75 -22.27 31.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.57 -44.34 35.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.25 -30.49 70.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -70.49 -70.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.34 -41.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . . . -52.57 -60.29 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 28' ' ' ILE . 52.5 mt -51.78 -50.34 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.41 -52.97 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.07 -47.35 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmm -64.01 -36.96 85.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -129.97 77.02 77.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -42.6 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -52.21 -45.24 65.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.459 ' CE ' HD23 ' A' ' 46' ' ' LEU . 34.0 mmm -54.41 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.97 126.46 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' CG ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -51.13 -59.88 3.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.6 -39.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' SER . 91.0 t -72.42 -54.41 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 16' ' ' ILE . 29.8 mt -50.3 -31.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -84.47 -25.71 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.5 t -75.14 -15.87 60.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.79 -49.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 4.9 tp -54.6 -42.56 71.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.79 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.68 -7.22 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' ASN . 82.8 mm-40 -113.46 45.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.85 29.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 72.17 47.08 31.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 5.5 t-20 -108.53 130.69 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CE ' ' HB3' ' A' ' 15' ' ' ALA . 2.8 tttm -81.82 -53.84 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.6 -54.04 49.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.63 84.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 38' ' ' ASN . . . -59.03 -53.53 57.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt -49.73 -57.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -53.51 -45.0 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -42.25 94.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD23 ' CE ' ' A' ' 23' ' ' MET . 4.4 mt -65.58 -54.25 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.76 -55.19 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.26 151.05 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.58 -166.32 9.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -153.17 136.78 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -155.35 118.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.01 70.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER 160.11 121.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.55 159.39 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -58.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.82 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 157.24 36.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.6 p -151.7 163.17 39.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -154.76 107.55 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.973 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.43 -60.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.11 -170.21 24.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -153.53 126.49 8.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -159.67 142.69 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.8 -98.33 1.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -49.23 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.93 153.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 -29.86 22.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -54.59 20.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.01 -46.41 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.5 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -39.17 -32.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -63.88 -58.34 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.434 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 54.6 mt -55.35 -46.28 78.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.68 -50.95 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.04 -43.04 73.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.2 mtp -66.76 -39.44 87.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -131.49 76.8 74.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -49.49 -46.55 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 mmm -55.73 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 63.6 m-20 -99.64 137.49 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.54 -58.65 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 70.6 t -77.46 -53.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.438 HG21 ' CD2' ' A' ' 13' ' ' LEU . 32.4 mt -52.89 -28.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -15.92 61.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.1 t -93.3 -53.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.5 tp -51.22 -41.77 60.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -42.22 72.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.3 -15.33 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ASN . 94.4 mm-40 -103.55 35.1 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.95 33.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.83 38.81 89.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLN . 22.4 t-20 -105.34 84.34 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 1.3 ttpm? -41.04 -62.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -40.96 -55.23 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.61 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -53.78 -56.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -50.61 -42.59 56.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -52.25 64.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.7 mt -59.49 -50.82 72.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.34 -56.62 8.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -59.92 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.8 mtp -43.55 148.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.08 -84.21 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.02 80.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.8 125.18 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.55 36.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m 53.57 102.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.09 -90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 81.32 2.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.87 132.51 54.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 p -89.14 -56.67 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 52.2 92.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -160.89 141.98 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.02 104.25 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -107.35 125.52 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.965 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.53 105.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.65 175.83 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -50.01 176.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.44 156.85 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.27 -27.71 18.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.05 -51.56 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -59.76 -48.18 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.44 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -38.98 -45.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.11 -52.05 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 92.6 mt -68.97 -54.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -53.16 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -52.47 -48.21 66.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtp -62.26 -45.46 93.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -124.5 75.74 62.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.32 6.35 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.0 -41.65 88.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.421 ' HE2' ' CD2' ' A' ' 46' ' ' LEU . 63.2 mmm -59.87 168.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.4 m-20 -89.23 137.86 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.89 -60.6 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -31.35 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 89.4 t -74.36 -57.84 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 mt -42.26 -50.45 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -58.54 -46.91 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -23.17 40.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.3 t -84.88 -53.04 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' CD2' ' OD2' ' A' ' 12' ' ' ASP . 22.1 tp -58.98 -38.0 78.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -42.25 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -13.79 61.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -104.51 38.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.21 39.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.52 50.46 64.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -117.3 98.24 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 4.6 ttpt -50.47 -58.82 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.29 -64.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.04 -38.16 23.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -51.73 59.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.463 HD11 ' CE ' ' A' ' 39' ' ' LYS . 91.2 mt -51.92 -53.68 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.04 -44.6 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.66 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' CD2' ' HE2' ' A' ' 23' ' ' MET . 2.3 mt -56.89 -53.75 54.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 mt -40.64 -61.4 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -56.64 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 mmm -46.34 133.82 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.27 179.67 33.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -95.02 78.49 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -46.81 152.4 0.94 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 58.22 4.83 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.77 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.21 93.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.82 -146.48 19.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.27 7.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -141.09 -56.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 m -43.04 105.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 52.91 90.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -41.07 125.99 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.61 62.78 1.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 111.23 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -78.57 84.29 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.0 -123.11 5.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.1 m -106.79 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 2.2 t -156.82 155.56 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -78.69 -26.08 44.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.52 -55.69 18.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.85 -48.4 72.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -43.46 -70.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 8.9 mtmt -39.52 -46.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.68 -50.36 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 46' ' ' LEU . 62.0 mt -62.69 -52.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -54.38 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -49.08 -44.36 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 mmm -69.88 -40.33 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -128.59 77.3 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -40.81 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -53.99 -43.52 70.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 75.7 mmm -55.17 170.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 139.15 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.26 -58.29 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -44.57 -36.28 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 -57.47 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.4 mt -41.52 -51.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -62.73 -41.6 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -61.41 -15.65 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -91.67 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA2' ' A' ' 37' ' ' GLY . 45.7 tp -54.56 -37.48 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.81 -43.79 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.16 -8.48 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' ASN . 88.6 mm-40 -108.77 43.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLN . 2.7 mtt180 38.75 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 64.26 49.55 65.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -116.66 93.05 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 9.2 ttpp -41.89 -56.33 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -47.18 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -48.37 -41.09 27.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.97 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.9 mt -44.12 -55.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -54.43 -45.63 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 16' ' ' ILE . 13.5 mt -57.97 -51.68 68.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -44.47 -60.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -58.18 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.0 mtt -38.8 138.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.77 113.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 50.47 92.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 134.01 82.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.74 5.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 m -90.3 165.27 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.02 166.04 46.08 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -47.4 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 t -46.22 113.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -80.87 125.86 30.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 65.08 166.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.99 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.8 -53.3 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.034 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.0 92.2 1.65 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -175.77 126.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.86 166.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.93 -106.82 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.4 m -104.94 -168.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -171.98 155.79 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.87 -25.37 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.95 -57.36 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.47 -49.07 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.02 -70.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.8 mmtt -39.06 -47.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.82 -57.21 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 46' ' ' LEU . 74.7 mt -66.89 -50.02 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -50.75 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -54.24 -47.42 72.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.7 mtp -61.85 -35.07 77.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -132.01 77.05 72.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -53.89 -41.41 67.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 83.0 mmm -58.06 169.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 135.68 42.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.08 -53.04 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -39.51 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.33 -57.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.9 mt -44.01 -55.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.63 -34.45 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -22.11 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLN . 91.7 t -85.63 -49.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD2' ' OD1' ' A' ' 12' ' ' ASP . 5.3 tp -50.43 -59.26 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.15 -32.15 67.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.2 -11.77 59.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 77.3 mm-40 -115.34 41.87 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 39.54 31.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.47 47.82 33.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 15.9 t-20 -107.54 140.98 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -89.13 -52.51 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.57 -60.03 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . . . -53.63 -40.75 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 38' ' ' ASN . . . -61.77 -50.44 72.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.9 mt -54.94 -62.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -45.72 -40.84 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -62.5 -53.62 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 16' ' ' ILE . 5.6 mt -58.66 -51.71 68.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 mt -42.01 -62.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -59.61 4.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.2 mmm -41.48 146.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.73 123.29 8.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.575 1.172 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.15 141.92 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.17 114.1 64.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.29 37.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -97.9 169.51 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.34 98.72 0.64 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 145.29 31.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 t -113.07 151.21 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 t -149.38 140.8 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -128.38 -59.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.24 57.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.434 1.083 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.78 -57.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 0.756 . . . . 0.0 110.027 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.0 136.92 57.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.6 -167.03 20.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -76.46 -173.53 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.99 145.99 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.76 -22.84 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.6 -48.13 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.17 -39.74 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -56.09 -70.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 mttt -39.03 -42.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.19 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.84 -52.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -52.5 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -52.0 -45.37 64.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.7 mmm -67.4 -37.92 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' HB3' ' CG ' ' A' ' 23' ' ' MET . 31.1 m-85 -127.85 75.46 78.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.75 7.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -69.21 -37.15 77.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 20' ' ' PHE . 79.6 mmm -58.35 172.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.8 m-20 -98.58 131.51 44.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.84 -49.44 75.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.19 -30.31 6.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 86.7 t -78.67 -54.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.0 mt -44.31 -49.49 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -59.97 -48.8 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.9 m -50.66 -25.43 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 42' ' ' ALA . 61.6 t -89.89 -51.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.61 -40.62 75.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -31.29 63.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.8 -9.51 58.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' VAL . 88.9 mm-40 -110.96 45.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 39.84 31.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.96 48.44 48.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' GLN . 8.8 t-20 -104.22 148.53 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -92.89 -56.63 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.5 70.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . . . -59.57 -45.39 91.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.36 -60.61 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -40.35 -45.33 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -48.55 -32.55 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.97 -54.94 40.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -64.31 -65.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.4 ptp -40.04 155.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 -140.45 22.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -134.16 123.54 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.287 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.89 155.32 43.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.89 17.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.41 -55.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.09 -172.58 51.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.0 p -119.66 100.86 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 m -128.07 -58.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -58.12 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.29 160.45 42.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 124.32 28.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.4 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 p -59.2 154.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -139.6 2.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' CA ' ' A' ' 37' ' ' GLY . 75.3 m -57.66 172.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.8 166.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -17.95 34.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.48 -51.83 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -60.39 -40.83 92.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -60.08 -70.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.29 -42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.11 -52.4 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 28' ' ' ILE . 64.4 mt -60.71 -50.43 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.46 -51.18 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -51.65 -46.39 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.27 -35.25 80.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -133.27 76.69 68.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.03 4.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -62.68 -46.05 89.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mmm -51.38 175.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.5 m-20 -92.71 130.8 38.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.417 ' NE2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt-30 -58.75 -55.78 30.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -30.88 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 94.9 t -76.2 -54.34 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 16' ' ' ILE . 50.9 mt -51.04 -32.33 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -82.97 -24.81 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -74.24 -19.53 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.82 -44.37 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD2' ' HG ' ' A' ' 13' ' ' LEU . 8.6 tp -57.67 -41.65 81.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -26.34 61.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.13 -5.78 56.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 74.1 mm-40 -117.63 48.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 39.31 28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 70.29 49.35 33.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.4 m-80 -101.08 146.58 27.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -92.83 -51.42 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.43 -48.29 67.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -57.95 -44.73 87.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.89 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -51.81 -53.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -50.97 -46.9 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -47.79 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.39 -46.14 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -58.73 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -53.88 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.5 mtt -43.46 134.16 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.61 171.85 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -132.04 56.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -75.11 151.29 85.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.84 136.66 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.52 99.03 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.6 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m 61.34 101.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -174.18 154.49 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -157.21 80.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.31 -58.13 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.84 168.23 54.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -112.82 -60.84 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 0.739 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.01 161.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.34 -117.46 3.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -49.28 170.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.98 168.42 27.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.5 -27.01 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.26 -58.39 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 13' ' ' LEU . 12.1 p-10 -53.14 -57.47 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -46.09 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.58 -54.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.07 -55.66 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CG1' ' HG3' ' A' ' 39' ' ' LYS . 65.0 mt -57.8 -52.26 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -52.2 3.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.28 -46.1 65.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -67.23 -37.49 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -129.57 76.99 77.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -44.53 -47.2 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.3 mmm -50.74 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.45 132.97 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -62.57 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -40.73 -34.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -75.69 -54.17 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.458 HG23 ' CG2' ' A' ' 16' ' ' ILE . 16.3 mt -50.12 -31.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 6.7 ttm180 -84.34 -30.88 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -71.65 -13.23 61.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t -94.71 -52.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.2 -39.45 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -37.93 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.89 -8.83 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' ASN . 90.1 mm-40 -109.56 42.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 42.26 29.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.01 44.75 87.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -112.87 90.16 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 29.0 tttt -42.41 -58.3 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -43.87 -62.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' ASN . . . -50.48 -45.12 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.7 -61.24 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -40.36 -50.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -59.86 -44.96 93.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' ALA . 20.9 t -61.44 -49.38 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.36 -53.22 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -42.49 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -57.46 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.18 139.25 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.94 -163.91 37.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -110.1 73.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.81 116.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 65.2 6.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t -129.92 157.53 42.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.89 98.74 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.07 2.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.1 p -111.23 148.61 32.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.35 -60.42 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -147.89 -57.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -66.81 163.48 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.34 -152.98 20.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p -94.06 124.12 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.04 140.4 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.3 160.37 3.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 p -53.17 179.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.23 165.88 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.87 -25.63 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.12 -58.77 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.4 -57.7 9.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -44.56 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -48.84 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.06 -51.46 13.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 28' ' ' ILE . 54.6 mt -61.96 -50.97 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -52.3 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -53.7 -43.07 68.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' ILE . 6.2 mmm -71.7 -32.87 68.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -133.27 77.6 66.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -47.94 -37.99 15.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.449 ' HE1' ' CD2' ' A' ' 46' ' ' LEU . 37.8 mtp -56.9 175.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 10.2 m-20 -100.11 129.1 46.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -60.44 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -44.88 -40.48 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' CE ' ' A' ' 23' ' ' MET . 63.1 t -68.59 -53.37 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.45 HG22 ' CG2' ' A' ' 16' ' ' ILE . 49.3 mt -51.61 -36.58 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -79.73 -24.55 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -75.72 -16.32 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -92.19 -48.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.78 -42.72 84.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -41.92 75.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 -10.23 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -110.45 41.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 46.1 25.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.88 20.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 5.7 t-20 -107.16 127.0 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -79.49 -51.18 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.16 -54.34 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -47.6 82.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 38' ' ' ASN . . . -57.78 -55.5 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.01 -50.7 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -57.28 -52.08 66.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -37.69 63.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 3.5 mt -71.44 -53.54 13.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.04 -55.08 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.226 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -51.45 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.9 mtt -46.26 129.7 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.38 -178.19 17.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -135.43 115.5 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.41 114.21 43.24 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.58 43.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -141.21 86.74 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.63 168.15 22.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 p -168.09 136.24 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.79 -58.43 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.13 -24.5 22.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.53 -64.38 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.9 m-20 -48.33 -38.31 18.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.858 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -59.21 -70.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -39.35 -41.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.83 -52.27 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . 61.2 mt -59.79 -51.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.2 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.64 -47.66 66.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mmm -64.62 -42.66 95.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -126.61 76.19 74.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.0 -44.11 87.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mmm -50.71 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.13 135.01 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.88 -60.18 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.35 -32.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -75.77 -58.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 13' ' ' LEU . 69.3 mt -42.29 -51.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 mtt180 -64.9 -40.56 95.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -58.4 -17.35 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 71.3 t -93.96 -56.53 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.858 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.1 tp -50.52 -40.7 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -38.39 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.96 -6.49 58.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.7 mm-40 -111.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 39.25 29.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 63.83 49.08 70.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -117.77 96.16 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -58.0 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.62 -61.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.55 -46.0 63.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.08 -63.13 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.29 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.13 -45.39 91.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . 3.1 t -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.29 -50.35 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -43.87 -60.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -20.96 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -66.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -46.31 -31.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -64.07 -70.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.01 -33.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.55 -55.54 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.0 mt -60.32 -48.3 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' OE1' HD12 ' A' ' 28' ' ' ILE . 1.4 mm100 -42.2 -56.19 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -50.07 -45.26 52.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.5 mtp -66.6 -41.49 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.446 ' O ' HD11 ' A' ' 28' ' ' ILE . 43.9 m-85 -130.78 73.2 81.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.95 -32.63 5.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.4 mmm -54.38 156.63 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 68.9 m-20 -77.2 125.92 30.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.15 -50.15 49.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -33.26 21.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 96.0 t -76.31 -55.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.541 HG22 ' CD2' ' A' ' 13' ' ' LEU . 97.7 mt -43.41 -50.59 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' CZ ' HD13 ' A' ' 13' ' ' LEU . 14.9 mtt180 -66.18 -37.67 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -62.4 -15.21 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.7 t -94.42 -51.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 13' ' ' LEU . 6.6 tp -57.48 -39.48 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.05 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -15.98 60.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.661 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.9 mm-40 -101.4 32.45 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 45.52 33.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.85 40.98 89.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.2 t-20 -108.42 86.32 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.4 tttt -43.15 -61.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.59 -55.27 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.14 -38.26 82.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.14 -51.89 66.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.813 HD11 ' HE2' ' A' ' 39' ' ' LYS . 91.0 mt -52.75 -53.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -54.72 -45.27 74.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -55.5 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 4.2 mt -54.64 -52.39 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.7 mt -41.05 -59.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -26.39 18.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -61.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -50.17 -40.67 47.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.72 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.32 -33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -66.27 -55.17 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 46' ' ' LEU . 45.8 mt -55.21 -49.04 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.36 8.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.59 -38.49 54.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmm -76.27 -35.6 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -131.31 78.25 72.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -44.84 -35.11 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.602 ' CE ' HD22 ' A' ' 46' ' ' LEU . 46.2 mtp -59.2 165.35 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.44 132.92 46.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.8 mt-30 -47.37 -62.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.9 mm-40 -38.83 -40.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.87 -58.34 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.689 HG22 HD21 ' A' ' 13' ' ' LEU . 68.3 mt -43.65 -52.29 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' NE ' HD11 ' A' ' 13' ' ' LEU . 20.4 mtp180 -61.42 -46.75 88.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 m -51.73 -21.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.497 HG21 HD23 ' A' ' 46' ' ' LEU . 75.1 t -91.62 -55.92 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.76 HD22 ' HG ' ' A' ' 13' ' ' LEU . 7.1 tp -53.68 -41.65 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -39.49 66.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -70.9 -21.55 62.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' VAL . 97.5 mm-40 -98.32 26.03 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 53.64 52.47 13.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.5 56.74 16.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 43.5 t-20 -124.73 136.51 53.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.7 tttt -88.73 -47.9 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.15 -57.52 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.43 -39.68 76.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -63.52 -60.79 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 39' ' ' LYS . 56.4 mt -40.72 -58.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -45.76 -47.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.05 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.602 HD22 ' CE ' ' A' ' 23' ' ' MET . 16.8 mt -50.46 -50.4 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.69 -57.03 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.36 -26.97 46.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -60.16 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 41.6 m-20 -49.7 -41.87 44.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -57.88 -70.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.81 -33.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -64.93 -57.23 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' LEU . 65.3 mt -62.48 -49.14 85.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -52.68 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -55.96 -45.14 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 78.2 mtp -64.06 -42.66 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -124.78 73.9 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.93 2.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -58.9 -42.74 90.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mmm -54.91 172.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 27' ' ' VAL . 5.2 m-20 -96.33 129.26 43.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -53.31 -50.23 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.38 -35.12 7.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 24' ' ' ASP . 71.4 t -75.52 -54.99 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.5 mt -44.16 -51.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -60.63 -49.33 77.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.6 t -49.4 -22.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLN . 62.6 t -90.67 -55.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.7 tp -55.01 -39.38 69.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -27.79 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -82.91 -17.76 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' VAL . 96.1 mm-40 -98.45 24.66 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.36 22.76 13.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.7 43.49 8.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 4.2 t-20 -107.77 144.26 35.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -89.8 -66.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.94 -52.35 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.81 -39.99 75.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -65.85 -51.05 62.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -52.62 -55.41 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -47.99 -39.25 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.22 -54.53 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.04 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -41.07 -61.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -21.98 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -67.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.706 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.1 m-20 -57.69 -38.47 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -43.27 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -40.33 -51.2 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -40.32 -52.76 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.29 -54.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -51.72 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.54 -40.46 71.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.3 mtp -71.67 -38.54 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.63 ' O ' HD11 ' A' ' 28' ' ' ILE . 27.1 m-85 -132.17 75.41 74.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -54.12 -36.48 63.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.498 ' CE ' HD22 ' A' ' 46' ' ' LEU . 44.1 mtp -56.42 168.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.96 128.4 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -48.98 -63.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -39.03 -41.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.94 -60.84 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' O ' ' A' ' 20' ' ' PHE . 34.2 mt -40.77 -50.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD3' HD21 ' A' ' 13' ' ' LEU . 12.3 mtt180 -66.67 -40.77 88.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -55.77 -18.81 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.0 t -92.24 -56.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.9 tp -52.9 -41.73 64.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -41.48 69.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -13.94 61.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.1 mm-40 -101.84 29.77 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 54.54 22.65 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 79.22 37.19 25.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.924 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.5 t-20 -104.59 110.33 22.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HE2' HD12 ' A' ' 43' ' ' ILE . 1.3 ttpt -65.29 -53.17 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -51.87 -47.41 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -67.46 -38.73 84.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.01 -55.02 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.476 HD12 ' HE2' ' A' ' 39' ' ' LYS . 89.8 mt -51.53 -54.1 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -53.97 -38.18 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -45.75 69.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD22 ' CE ' ' A' ' 23' ' ' MET . 3.9 mt -63.24 -48.6 77.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.6 mt -43.62 -61.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.32 -25.19 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -54.73 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -56.19 -44.35 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.86 -70.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.44 -36.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.57 -59.88 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 46' ' ' LEU . 57.8 mt -54.16 -49.14 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -51.93 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -51.61 -45.22 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.6 mmm -67.07 -37.19 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.17 75.11 80.61 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.1 -48.31 79.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mmm -51.34 177.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -95.76 135.43 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.64 -58.92 6.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.38 -27.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 24' ' ' ASP . 79.4 t -80.39 -51.58 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 HD23 ' A' ' 13' ' ' LEU . 31.1 mt -54.66 -31.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 13' ' ' LEU . 8.1 ttt85 -84.45 -24.85 29.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -74.61 -16.08 60.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.1 t -93.3 -51.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.87 -39.58 62.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -35.7 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.33 -6.84 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.604 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 89.2 mm-40 -109.71 41.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 44.24 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 74.89 45.66 20.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 10.8 t-20 -105.55 143.0 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -91.28 -57.85 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -53.02 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.66 -44.08 81.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.69 -48.44 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.16 -44.89 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.73 -55.6 32.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.06 -52.46 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' HG21 ' A' ' 16' ' ' ILE . 9.8 mt -57.41 -56.57 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.4 mt -43.32 -60.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.15 -25.34 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.82 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 15.8 m-20 -59.72 -33.16 71.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.764 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -68.9 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.23 -30.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -61.64 -59.62 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.575 HD11 ' HG3' ' A' ' 39' ' ' LYS . 76.7 mt -53.35 -53.73 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.81 -51.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.18 -47.78 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mmm -63.78 -38.3 90.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -129.75 75.49 79.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.67 4.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -60.86 -44.6 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.7 mmm -54.9 177.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m-20 -93.83 128.97 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.76 -55.43 34.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -47.04 -35.1 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 79.3 t -72.67 -53.55 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 13' ' ' LEU . 34.5 mt -52.62 -30.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -84.62 -23.59 29.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -15.17 59.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 86.2 t -93.01 -50.28 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.764 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.2 tp -52.09 -42.35 63.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -41.72 78.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -10.11 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.674 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.1 mm-40 -106.58 37.44 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 44.93 26.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.79 41.82 55.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.09 . . . . 0.0 111.057 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.815 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.8 t-20 -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HG3' HD11 ' A' ' 16' ' ' ILE . 6.7 ttpm? -53.49 -62.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -59.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.96 -44.43 63.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -60.77 -62.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.17 -48.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ALA . 1.4 t -62.03 -48.79 78.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.54 -50.83 71.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.8 mt -41.12 -60.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.94 -27.19 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.78 -45.36 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.785 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.75 -47.62 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.846 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -46.49 -71.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.49 -46.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.44 -56.88 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 39' ' ' LYS . 86.7 mt -59.5 -55.82 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.17 -58.61 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.38 -45.33 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ILE . 2.9 mtp -70.87 -33.08 70.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HD2' HG23 ' A' ' 16' ' ' ILE . 39.2 m-85 -134.92 79.85 50.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -44.2 -41.48 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.79 158.64 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -85.52 132.28 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.83 -41.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 24' ' ' ASP . 93.3 t -65.68 -53.73 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.9 mt -43.13 -48.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.846 ' HG2' HD21 ' A' ' 13' ' ' LEU . 33.9 mtt180 -63.1 -45.13 93.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -16.7 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG11 ' HG ' ' A' ' 46' ' ' LEU . 70.7 t -92.55 -52.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.785 HD22 ' OD2' ' A' ' 12' ' ' ASP . 14.5 tp -58.18 -40.21 80.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.67 -38.95 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.6 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.505 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.2 mm-40 -107.69 40.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 42.07 38.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.91 48.12 87.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.823 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 15.0 t-20 -117.15 99.08 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.8 ttpt -52.51 -60.8 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.77 -60.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.823 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.06 -45.07 61.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.15 74.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -48.55 -41.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -67.89 -45.0 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' HG11 ' A' ' 31' ' ' VAL . 8.7 mt -64.07 -54.18 38.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -41.36 -60.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.49 -24.82 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.46 -43.9 84.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 71.7 m-20 -66.5 -37.55 85.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.707 HD23 HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -61.58 -70.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.3 -39.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -55.22 -60.1 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 46' ' ' LEU . 83.1 mt -52.32 -47.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -52.39 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.29 -46.19 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.28 -37.36 86.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -131.22 76.13 76.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -32.36 5.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.46 -48.28 80.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.0 mmm -51.23 172.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -92.22 135.58 33.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 27' ' ' VAL . 5.0 mt-30 -60.66 -56.49 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -26.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 25' ' ' GLN . 95.7 t -83.2 -55.46 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.707 HG22 HD23 ' A' ' 13' ' ' LEU . 23.6 mt -48.11 -31.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.54 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttt180 -83.67 -35.05 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 t -65.8 -14.21 60.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.9 t -94.48 -54.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.2 tp -53.34 -39.62 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.14 -31.22 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.02 -9.27 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' VAL . 94.4 mm-40 -105.62 24.98 11.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 63.35 12.03 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 91.4 38.85 5.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -97.29 140.22 32.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -90.54 -49.32 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -67.72 -50.45 57.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.54 -36.24 71.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -68.37 -53.74 21.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -50.85 -50.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -56.91 -43.86 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -46.72 89.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 16' ' ' ILE . 6.0 mt -61.44 -54.03 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.6 mt -42.74 -60.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -27.95 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -62.95 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.877 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.94 -53.07 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.57 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -51.73 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 84.6 mt -55.77 -57.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -38.88 -51.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.68 -48.96 66.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ILE . 8.8 mmm -61.37 -39.78 91.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -129.48 77.54 77.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -57.73 -41.69 82.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.9 mmm -56.74 169.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.74 135.5 37.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.13 -56.48 19.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -41.99 -37.37 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -71.73 -55.58 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 17' ' ' GLN . 12.0 mt -44.73 -53.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' HD21 ' A' ' 13' ' ' LEU . 20.1 mtm180 -59.86 -49.09 79.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.07 -23.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.0 t -90.37 -55.2 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 ' OD1' ' A' ' 12' ' ' ASP . 24.5 tp -54.77 -39.39 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -29.98 62.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.92 -16.69 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . 93.6 mm-40 -99.25 27.07 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.68 21.96 6.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.8 43.81 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 6.1 t-20 -107.36 146.95 30.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -90.62 -61.5 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -53.03 39.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.84 -41.99 78.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.89 -60.21 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -43.71 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -40.99 -57.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 t -51.51 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.4 mt -45.19 -54.54 6.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.4 mt -41.2 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.43 -21.47 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -57.8 5.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.913 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.6 -54.68 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.702 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.37 -51.59 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' MET . 86.5 mt -55.59 -58.33 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -50.44 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' ILE . 7.8 mmm -59.65 -32.46 70.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.45 78.53 44.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -30.51 7.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.62 -43.55 93.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mmm -52.82 174.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.8 t0 -101.19 131.16 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.25 -58.49 7.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -40.05 -39.88 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG23 ' HB3' ' A' ' 24' ' ' ASP . 95.8 t -69.42 -56.0 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.583 ' HA ' HD21 ' A' ' 46' ' ' LEU . 16.3 mt -44.22 -54.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.702 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.4 mtt180 -59.24 -40.78 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -22.01 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.5 t -90.56 -54.1 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.913 HD22 ' OD1' ' A' ' 12' ' ' ASP . 65.6 tp -51.95 -44.17 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.34 -26.53 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.8 -5.76 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.7 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.2 mm-40 -112.61 21.97 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 11.97 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 90.72 38.55 6.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.85 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -96.13 146.0 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -92.83 -53.68 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.86 -48.26 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.85 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.0 -39.67 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -68.11 -60.06 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.6 mt -41.36 -57.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -48.07 -41.64 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.0 t -65.5 -58.48 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 28' ' ' ILE . 3.9 mt -53.03 -54.03 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.5 mt -40.5 -61.47 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -83.75 -22.27 31.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.57 -44.34 35.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.25 -30.49 70.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -70.49 -70.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.34 -41.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.57 -60.29 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -51.78 -50.34 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.41 -52.97 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.07 -47.35 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmm -64.01 -36.96 85.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -129.97 77.02 77.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -42.6 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -52.21 -45.24 65.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.0 mmm -54.41 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -105.97 126.46 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -51.13 -59.88 3.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.6 -39.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' SER . 91.0 t -72.42 -54.41 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' CD2' ' A' ' 13' ' ' LEU . 29.8 mt -50.3 -31.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.651 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -84.47 -25.71 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.5 t -75.14 -15.87 60.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 42' ' ' ALA . 93.0 t -92.79 -49.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.9 tp -54.6 -42.56 71.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.79 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.68 -7.22 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.565 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 82.8 mm-40 -113.46 45.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.85 29.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 72.17 47.08 31.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.5 t-20 -108.53 130.69 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -81.82 -53.84 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.6 -54.04 49.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.76 -46.63 84.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -59.03 -53.53 57.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt -49.73 -57.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -53.51 -45.0 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -42.25 94.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.4 mt -65.58 -54.25 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.76 -55.19 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 -29.86 22.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -54.59 20.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-20 -56.01 -46.41 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.5 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -39.17 -32.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -63.88 -58.34 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' A' ' 39' ' ' LYS . 54.6 mt -55.35 -46.28 78.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HA ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -45.68 -50.95 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.04 -43.04 73.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.2 mtp -66.76 -39.44 87.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 28' ' ' ILE . 42.4 m-85 -131.49 76.8 74.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -49.49 -46.55 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 mmm -55.73 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 63.6 m-20 -99.64 137.49 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.54 -58.65 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 70.6 t -77.46 -53.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.599 HG22 HD23 ' A' ' 13' ' ' LEU . 32.4 mt -52.89 -28.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.614 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -15.92 61.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 42' ' ' ALA . 76.1 t -93.3 -53.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.5 tp -51.22 -41.77 60.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -42.22 72.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.3 -15.33 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ASN . 94.4 mm-40 -103.55 35.1 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.95 33.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.83 38.81 89.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.787 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.4 t-20 -105.34 84.34 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' HD11 ' A' ' 16' ' ' ILE . 1.3 ttpm? -41.04 -62.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -40.96 -55.23 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.73 -39.61 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -53.78 -56.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -50.61 -42.59 56.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -52.25 64.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.7 mt -59.49 -50.82 72.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.34 -56.62 8.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.27 -27.71 18.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.05 -51.56 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.784 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -59.76 -48.18 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.44 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -38.98 -45.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.11 -52.05 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.535 HD11 ' HG3' ' A' ' 39' ' ' LYS . 92.6 mt -68.97 -54.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -53.16 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -52.47 -48.21 66.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtp -62.26 -45.46 93.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -124.5 75.74 62.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.32 6.35 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.0 -41.65 88.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 63.2 mmm -59.87 168.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.4 m-20 -89.23 137.86 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.89 -60.6 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -31.35 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 89.4 t -74.36 -57.84 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 mt -42.26 -50.45 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -58.54 -46.91 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -23.17 40.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 42' ' ' ALA . 90.3 t -84.88 -53.04 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.784 HD22 ' OD2' ' A' ' 12' ' ' ASP . 22.1 tp -58.98 -38.0 78.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -42.25 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -13.79 61.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.718 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.7 mm-40 -104.51 38.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.21 39.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.52 50.46 64.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.3 t-20 -117.3 98.24 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.6 ttpt -50.47 -58.82 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.29 -64.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -49.04 -38.16 23.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -65.23 -51.73 59.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.92 -53.68 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.04 -44.6 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.66 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.89 -53.75 54.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.9 mt -40.64 -61.4 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 2.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -78.69 -26.08 44.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.52 -55.69 18.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.806 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -54.85 -48.4 72.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -43.46 -70.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 8.9 mtmt -39.52 -46.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -48.68 -50.36 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' LEU . 62.0 mt -62.69 -52.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -54.38 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -49.08 -44.36 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 mmm -69.88 -40.33 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -128.59 77.3 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -40.81 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -53.99 -43.52 70.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 75.7 mmm -55.17 170.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 139.15 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.26 -58.29 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -44.57 -36.28 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 -57.47 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.4 mt -41.52 -51.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' A' ' 13' ' ' LEU . 34.4 mtt180 -62.73 -41.6 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -61.41 -15.65 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -91.67 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.806 HD22 ' OD1' ' A' ' 12' ' ' ASP . 45.7 tp -54.56 -37.48 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.81 -43.79 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.16 -8.48 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.603 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.6 mm-40 -108.77 43.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLN . 2.7 mtt180 38.75 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 64.26 49.55 65.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -116.66 93.05 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 9.2 ttpp -41.89 -56.33 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -47.18 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -48.37 -41.09 27.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 39' ' ' LYS . . . -62.04 -56.97 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 96.9 mt -44.12 -55.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -54.43 -45.63 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 16' ' ' ILE . 13.5 mt -57.97 -51.68 68.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -44.47 -60.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.87 -25.37 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.95 -57.36 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.74 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -54.47 -49.07 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.02 -70.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.8 mmtt -39.06 -47.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -45.82 -57.21 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 46' ' ' LEU . 74.7 mt -66.89 -50.02 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -41.02 -50.75 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -54.24 -47.42 72.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.7 mtp -61.85 -35.07 77.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -132.01 77.05 72.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -53.89 -41.41 67.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 83.0 mmm -58.06 169.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 135.68 42.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.08 -53.04 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -39.51 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.33 -57.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 17' ' ' GLN . 11.9 mt -44.01 -55.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HG2' HD21 ' A' ' 13' ' ' LEU . 14.8 mtp180 -58.63 -34.45 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -22.11 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 42' ' ' ALA . 91.7 t -85.63 -49.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD22 ' OD1' ' A' ' 12' ' ' ASP . 5.3 tp -50.43 -59.26 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.15 -32.15 67.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.2 -11.77 59.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.738 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 77.3 mm-40 -115.34 41.87 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 39.54 31.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.47 47.82 33.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 15.9 t-20 -107.54 140.98 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' A' ' 43' ' ' ILE . 8.7 ttpt -89.13 -52.51 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.57 -60.03 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.738 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.63 -40.75 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -61.77 -50.44 72.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.9 mt -54.94 -62.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -45.72 -40.84 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -62.5 -53.62 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.6 mt -58.66 -51.71 68.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -42.01 -62.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.76 -22.84 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.6 -48.13 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-20 -62.17 -39.74 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.09 -70.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 mttt -39.03 -42.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -52.83 -57.19 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.84 -52.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -52.5 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -52.0 -45.37 64.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.7 mmm -67.4 -37.92 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' HB3' ' CG ' ' A' ' 23' ' ' MET . 31.1 m-85 -127.85 75.46 78.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.75 7.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -69.21 -37.15 77.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 20' ' ' PHE . 79.6 mmm -58.35 172.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 1.8 m-20 -98.58 131.51 44.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.84 -49.44 75.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.19 -30.31 6.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 24' ' ' ASP . 86.7 t -78.67 -54.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.0 mt -44.31 -49.49 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' HG2' HD21 ' A' ' 13' ' ' LEU . 23.1 mtt85 -59.97 -48.8 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.9 m -50.66 -25.43 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' ALA . 61.6 t -89.89 -51.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.61 -40.62 75.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -31.29 63.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.8 -9.51 58.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.799 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.9 mm-40 -110.96 45.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 39.84 31.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.96 48.44 48.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 8.8 t-20 -104.22 148.53 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -92.89 -56.63 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.74 -46.5 70.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.674 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -59.57 -45.39 91.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.36 -60.61 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -40.35 -45.33 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -48.55 -32.55 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -59.97 -54.94 40.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -17.95 34.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.48 -51.83 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 12.1 m-20 -60.39 -40.83 92.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -60.08 -70.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.29 -42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -51.11 -52.4 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 64.4 mt -60.71 -50.43 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.46 -51.18 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -51.65 -46.39 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.27 -35.25 80.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -133.27 76.69 68.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.03 4.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.4 p30 -62.68 -46.05 89.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mmm -51.38 175.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.5 m-20 -92.71 130.8 38.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.417 ' NE2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt-30 -58.75 -55.78 30.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -30.88 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 94.9 t -76.2 -54.34 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.717 HG22 HD23 ' A' ' 13' ' ' LEU . 50.9 mt -51.04 -32.33 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.4 ttt-85 -82.97 -24.81 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -74.24 -19.53 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 42' ' ' ALA . 87.1 t -89.82 -44.37 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.734 HD22 ' HG ' ' A' ' 13' ' ' LEU . 8.6 tp -57.67 -41.65 81.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -26.34 61.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.13 -5.78 56.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.586 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 74.1 mm-40 -117.63 48.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 39.31 28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 70.29 49.35 33.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.4 m-80 -101.08 146.58 27.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -92.83 -51.42 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.43 -48.29 67.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.95 -44.73 87.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.575 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -61.61 -53.89 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -51.81 -53.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -50.97 -46.9 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB3' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -58.75 -47.79 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.39 -46.14 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.3 mt -46.65 -58.73 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.5 -27.01 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.26 -58.39 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.709 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -53.14 -57.47 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -46.09 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.58 -54.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -41.07 -55.66 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 39' ' ' LYS . 65.0 mt -57.8 -52.26 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -52.2 3.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.28 -46.1 65.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -67.23 -37.49 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -129.57 76.99 77.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -44.53 -47.2 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.3 mmm -50.74 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.45 132.97 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -62.57 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -40.73 -34.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -75.69 -54.17 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG22 HD23 ' A' ' 13' ' ' LEU . 16.3 mt -50.12 -31.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.842 ' HB2' HD11 ' A' ' 13' ' ' LEU . 6.7 ttm180 -84.34 -30.88 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -71.65 -13.23 61.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t -94.71 -52.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD21 ' OD2' ' A' ' 12' ' ' ASP . 12.4 tp -55.2 -39.45 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -37.93 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.89 -8.83 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 90.1 mm-40 -109.56 42.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 42.26 29.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.01 44.75 87.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.2 t-20 -112.87 90.16 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.758 ' HE2' HD11 ' A' ' 43' ' ' ILE . 29.0 tttt -42.41 -58.3 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -43.87 -62.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -50.48 -45.12 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.7 -61.24 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.758 HD11 ' HE2' ' A' ' 39' ' ' LYS . 63.5 mt -40.36 -50.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -59.86 -44.96 93.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' ALA . 20.9 t -61.44 -49.38 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.8 mt -58.36 -53.22 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -42.49 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.87 -25.63 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.12 -58.77 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.799 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -52.4 -57.7 9.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -44.56 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -48.84 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.06 -51.46 13.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG21 HG23 ' A' ' 28' ' ' ILE . 54.6 mt -61.96 -50.97 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -52.3 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -53.7 -43.07 68.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' ILE . 6.2 mmm -71.7 -32.87 68.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.675 ' O ' HD11 ' A' ' 28' ' ' ILE . 82.9 m-85 -133.27 77.6 66.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -47.94 -37.99 15.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.8 mtp -56.9 175.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 10.2 m-20 -100.11 129.1 46.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -60.44 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -44.88 -40.48 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 63.1 t -68.59 -53.37 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 20' ' ' PHE . 49.3 mt -51.61 -36.58 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.867 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -79.73 -24.55 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -75.72 -16.32 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 46' ' ' LEU . 95.1 t -92.19 -48.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD21 ' OD2' ' A' ' 12' ' ' ASP . 13.4 tp -57.78 -42.72 84.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -41.92 75.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 -10.23 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.4 mm-40 -110.45 41.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 46.1 25.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.88 20.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.81 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.7 t-20 -107.16 127.0 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -79.49 -51.18 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.16 -54.34 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.81 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.79 -47.6 82.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -57.78 -55.5 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.712 ' HA ' HD12 ' A' ' 46' ' ' LEU . 36.1 mt -46.01 -50.7 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -57.28 -52.08 66.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -37.69 63.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 43' ' ' ILE . 3.5 mt -71.44 -53.54 13.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -44.04 -55.08 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.226 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 56.74 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.79 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.27 92.45 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -45.9 -63.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.23 92.05 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.76 -139.67 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 p -49.44 168.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.86 153.37 18.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.13 -24.5 22.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.53 -64.38 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.9 m-20 -48.33 -38.31 18.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.858 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -59.21 -70.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -39.35 -41.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.83 -52.27 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . 61.2 mt -59.79 -51.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.2 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.64 -47.66 66.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mmm -64.62 -42.66 95.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -126.61 76.19 74.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.0 -44.11 87.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mmm -50.71 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.13 135.01 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.88 -60.18 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.35 -32.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -75.77 -58.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 13' ' ' LEU . 69.3 mt -42.29 -51.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 mtt180 -64.9 -40.56 95.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -58.4 -17.35 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 71.3 t -93.96 -56.53 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.858 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.1 tp -50.52 -40.7 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -38.39 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.96 -6.49 58.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.7 mm-40 -111.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 39.25 29.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 63.83 49.08 70.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -117.77 96.16 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -58.0 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.62 -61.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.55 -46.0 63.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.08 -63.13 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.29 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.13 -45.39 91.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . 3.1 t -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.29 -50.35 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -43.87 -60.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.4 -57.27 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.2 mmm -45.45 135.71 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.61 33.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -138.5 123.52 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.22 150.82 37.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.95 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 m -55.53 162.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.85 -156.92 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.75 24.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.0 p -136.7 125.91 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -134.03 -58.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -153.53 117.86 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p 41.26 83.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.7 -64.31 4.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.31 -60.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 p -173.57 106.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.16 -145.77 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 m -123.53 178.34 5.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.91 160.01 39.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -20.96 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -66.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -46.31 -31.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -64.07 -70.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.01 -33.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.55 -55.54 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.0 mt -60.32 -48.3 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' OE1' HD12 ' A' ' 28' ' ' ILE . 1.4 mm100 -42.2 -56.19 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -50.07 -45.26 52.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.5 mtp -66.6 -41.49 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' O ' HD11 ' A' ' 28' ' ' ILE . 43.9 m-85 -130.78 73.2 81.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.95 -32.63 5.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.4 mmm -54.38 156.63 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 68.9 m-20 -77.2 125.92 30.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.15 -50.15 49.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -33.26 21.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 96.0 t -76.31 -55.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.541 HG22 ' CD2' ' A' ' 13' ' ' LEU . 97.7 mt -43.41 -50.59 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' CZ ' HD13 ' A' ' 13' ' ' LEU . 14.9 mtt180 -66.18 -37.67 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -62.4 -15.21 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.7 t -94.42 -51.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 13' ' ' LEU . 6.6 tp -57.48 -39.48 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.05 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -15.98 60.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.661 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.9 mm-40 -101.4 32.45 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 45.52 33.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.85 40.98 89.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.2 t-20 -108.42 86.32 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.4 tttt -43.15 -61.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.59 -55.27 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.14 -38.26 82.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.14 -51.89 66.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.813 HD11 ' HE2' ' A' ' 39' ' ' LYS . 91.0 mt -52.75 -53.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -54.72 -45.27 74.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -55.5 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 4.2 mt -54.64 -52.39 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.7 mt -41.05 -59.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -57.52 11.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.3 mtp -42.12 125.14 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.09 -104.32 2.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -156.4 138.28 14.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 156.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.88 20.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.6 t -62.51 143.28 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.48 -91.0 0.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m 72.0 -68.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 91.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -148.84 133.99 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -57.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.31 137.69 9.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -154.88 144.45 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.78 78.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.03 -78.65 0.22 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -170.48 170.96 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.66 155.68 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -26.39 18.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -61.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -50.17 -40.67 47.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.72 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.32 -33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -66.27 -55.17 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 46' ' ' LEU . 45.8 mt -55.21 -49.04 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.36 8.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.59 -38.49 54.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmm -76.27 -35.6 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -131.31 78.25 72.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -44.84 -35.11 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.602 ' CE ' HD22 ' A' ' 46' ' ' LEU . 46.2 mtp -59.2 165.35 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.44 132.92 46.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.8 mt-30 -47.37 -62.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.9 mm-40 -38.83 -40.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.87 -58.34 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.689 HG22 HD21 ' A' ' 13' ' ' LEU . 68.3 mt -43.65 -52.29 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' NE ' HD11 ' A' ' 13' ' ' LEU . 20.4 mtp180 -61.42 -46.75 88.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 m -51.73 -21.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.497 HG21 HD23 ' A' ' 46' ' ' LEU . 75.1 t -91.62 -55.92 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.76 HD22 ' HG ' ' A' ' 13' ' ' LEU . 7.1 tp -53.68 -41.65 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -39.49 66.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -70.9 -21.55 62.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' VAL . 97.5 mm-40 -98.32 26.03 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 53.64 52.47 13.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.5 56.74 16.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 43.5 t-20 -124.73 136.51 53.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.7 tttt -88.73 -47.9 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.15 -57.52 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.43 -39.68 76.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -63.52 -60.79 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 39' ' ' LYS . 56.4 mt -40.72 -58.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -45.76 -47.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.421 ' HB3' ' HE3' ' A' ' 49' ' ' MET . 0.4 OUTLIER -63.96 -55.05 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.602 HD22 ' CE ' ' A' ' 23' ' ' MET . 16.8 mt -50.46 -50.4 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.69 -57.03 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -54.56 33.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.421 ' HE3' ' HB3' ' A' ' 45' ' ' SER . 19.4 mtt -49.49 127.6 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 88.52 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 39.01 90.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CG ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -131.13 150.68 77.24 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 52' ' ' GLU . 18.3 Cg_endo -74.96 163.94 34.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -50.69 18.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.27 114.81 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.78 4.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -174.58 160.48 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.85 84.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -124.11 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p 179.13 95.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.0 172.86 35.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -104.54 169.71 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.81 152.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 -152.67 14.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -47.65 167.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.404 ' H ' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -160.66 145.26 14.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.36 -26.97 46.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -60.16 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 41.6 m-20 -49.7 -41.87 44.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -57.88 -70.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.81 -33.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -64.93 -57.23 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' LEU . 65.3 mt -62.48 -49.14 85.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -52.68 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -55.96 -45.14 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 78.2 mtp -64.06 -42.66 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -124.78 73.9 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.93 2.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -58.9 -42.74 90.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mmm -54.91 172.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 27' ' ' VAL . 5.2 m-20 -96.33 129.26 43.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -53.31 -50.23 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.38 -35.12 7.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 24' ' ' ASP . 71.4 t -75.52 -54.99 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.5 mt -44.16 -51.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -60.63 -49.33 77.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.6 t -49.4 -22.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLN . 62.6 t -90.67 -55.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.7 tp -55.01 -39.38 69.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -27.79 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -82.91 -17.76 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' VAL . 96.1 mm-40 -98.45 24.66 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.36 22.76 13.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.7 43.49 8.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 4.2 t-20 -107.77 144.26 35.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -89.8 -66.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.94 -52.35 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.81 -39.99 75.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -65.85 -51.05 62.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -52.62 -55.41 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -47.99 -39.25 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.22 -54.53 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.04 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -41.07 -61.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -56.05 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.2 mtm -50.29 133.11 24.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.33 -167.41 33.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 58.43 79.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -102.36 109.93 61.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 63.93 6.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.3 t 42.01 84.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.89 -147.19 0.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 t -105.69 -59.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.7 p -49.83 119.33 3.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -70.49 -58.24 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 168.37 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.44 67.74 0.38 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.63 129.24 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 0.805 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.62 144.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.54 167.35 15.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 p -49.2 161.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -163.42 130.45 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -21.98 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -67.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.706 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.1 m-20 -57.69 -38.47 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -43.27 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -40.33 -51.2 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -40.32 -52.76 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.29 -54.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -51.72 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.54 -40.46 71.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.3 mtp -71.67 -38.54 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.63 ' O ' HD11 ' A' ' 28' ' ' ILE . 27.1 m-85 -132.17 75.41 74.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -54.12 -36.48 63.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.498 ' CE ' HD22 ' A' ' 46' ' ' LEU . 44.1 mtp -56.42 168.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.96 128.4 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -48.98 -63.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -39.03 -41.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.94 -60.84 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' O ' ' A' ' 20' ' ' PHE . 34.2 mt -40.77 -50.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD3' HD21 ' A' ' 13' ' ' LEU . 12.3 mtt180 -66.67 -40.77 88.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -55.77 -18.81 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.0 t -92.24 -56.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.9 tp -52.9 -41.73 64.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -41.48 69.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -13.94 61.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.1 mm-40 -101.84 29.77 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 54.54 22.65 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 79.22 37.19 25.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.924 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.5 t-20 -104.59 110.33 22.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HE2' HD12 ' A' ' 43' ' ' ILE . 1.3 ttpt -65.29 -53.17 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -51.87 -47.41 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -67.46 -38.73 84.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.01 -55.02 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.476 HD12 ' HE2' ' A' ' 39' ' ' LYS . 89.8 mt -51.53 -54.1 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -53.97 -38.18 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -45.75 69.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD22 ' CE ' ' A' ' 23' ' ' MET . 3.9 mt -63.24 -48.6 77.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.6 mt -43.62 -61.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -53.63 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.6 mtt -45.58 127.54 7.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.47 -139.85 41.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.97 110.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -74.6 150.05 86.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.99 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.7 p -110.96 86.61 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.45 157.23 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 162.09 37.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.53 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 p -85.97 170.13 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 p -77.41 160.84 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -46.61 -56.7 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.38 -115.77 6.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.73 94.94 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -110.3 121.85 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.43 176.07 29.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.8 p -50.77 172.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.64 152.02 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.32 -25.19 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -54.73 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -56.19 -44.35 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.86 -70.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.44 -36.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.57 -59.88 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 46' ' ' LEU . 57.8 mt -54.16 -49.14 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -51.93 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -51.61 -45.22 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.6 mmm -67.07 -37.19 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.17 75.11 80.61 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.1 -48.31 79.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mmm -51.34 177.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -95.76 135.43 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.64 -58.92 6.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.38 -27.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 24' ' ' ASP . 79.4 t -80.39 -51.58 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 HD23 ' A' ' 13' ' ' LEU . 31.1 mt -54.66 -31.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 13' ' ' LEU . 8.1 ttt85 -84.45 -24.85 29.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -74.61 -16.08 60.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.1 t -93.3 -51.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.87 -39.58 62.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -35.7 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.33 -6.84 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.604 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 89.2 mm-40 -109.71 41.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 44.24 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 74.89 45.66 20.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 10.8 t-20 -105.55 143.0 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -91.28 -57.85 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -53.02 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.66 -44.08 81.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.69 -48.44 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.16 -44.89 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.73 -55.6 32.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.06 -52.46 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' HG21 ' A' ' 16' ' ' ILE . 9.8 mt -57.41 -56.57 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.4 mt -43.32 -60.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.2 -60.47 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.0 mmm -41.02 142.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.8 95.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.98 92.94 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.11 151.34 39.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 62.84 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 p -175.9 126.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.0 157.32 7.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.51 14.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m 54.23 170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -57.44 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -156.9 -66.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.64 144.14 31.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.37 114.29 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -141.47 112.04 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -173.07 84.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.24 -108.88 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 p -47.69 169.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.81 155.07 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.15 -25.34 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.82 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 15.8 m-20 -59.72 -33.16 71.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.764 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -68.9 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.23 -30.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -61.64 -59.62 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.575 HD11 ' HG3' ' A' ' 39' ' ' LYS . 76.7 mt -53.35 -53.73 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.81 -51.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.18 -47.78 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mmm -63.78 -38.3 90.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -129.75 75.49 79.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.67 4.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -60.86 -44.6 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.7 mmm -54.9 177.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m-20 -93.83 128.97 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.76 -55.43 34.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -47.04 -35.1 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 79.3 t -72.67 -53.55 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 13' ' ' LEU . 34.5 mt -52.62 -30.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -84.62 -23.59 29.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -15.17 59.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 86.2 t -93.01 -50.28 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.764 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.2 tp -52.09 -42.35 63.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -41.72 78.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -10.11 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.674 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.1 mm-40 -106.58 37.44 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 44.93 26.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.79 41.82 55.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.09 . . . . 0.0 111.057 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.815 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.8 t-20 -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HG3' HD11 ' A' ' 16' ' ' ILE . 6.7 ttpm? -53.49 -62.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -59.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.96 -44.43 63.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -60.77 -62.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.17 -48.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ALA . 1.4 t -62.03 -48.79 78.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.54 -50.83 71.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.8 mt -41.12 -60.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -58.6 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -47.76 156.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.1 -161.66 26.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 56.3 83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.28 151.46 59.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.01 4.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 t -126.79 -69.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.07 161.01 29.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 121.06 6.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.4 t -68.61 93.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.05 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 77.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 p -145.95 154.55 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.29 147.75 19.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 t -69.67 73.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -119.17 163.72 16.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.39 -105.0 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 p -86.3 169.46 12.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.8 155.31 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.94 -27.19 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.78 -45.36 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.785 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.75 -47.62 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.846 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -46.49 -71.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.49 -46.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.44 -56.88 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 39' ' ' LYS . 86.7 mt -59.5 -55.82 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.17 -58.61 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.38 -45.33 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ILE . 2.9 mtp -70.87 -33.08 70.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HD2' HG23 ' A' ' 16' ' ' ILE . 39.2 m-85 -134.92 79.85 50.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -44.2 -41.48 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.79 158.64 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -85.52 132.28 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.83 -41.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 24' ' ' ASP . 93.3 t -65.68 -53.73 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.9 mt -43.13 -48.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.846 ' HG2' HD21 ' A' ' 13' ' ' LEU . 33.9 mtt180 -63.1 -45.13 93.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -16.7 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG11 ' HG ' ' A' ' 46' ' ' LEU . 70.7 t -92.55 -52.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.785 HD22 ' OD2' ' A' ' 12' ' ' ASP . 14.5 tp -58.18 -40.21 80.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.67 -38.95 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.6 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.505 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.2 mm-40 -107.69 40.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 42.07 38.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.91 48.12 87.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.823 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 15.0 t-20 -117.15 99.08 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.8 ttpt -52.51 -60.8 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.77 -60.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.823 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.06 -45.07 61.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.15 74.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -48.55 -41.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -67.89 -45.0 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' HG11 ' A' ' 31' ' ' VAL . 8.7 mt -64.07 -54.18 38.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -41.36 -60.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -57.42 12.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.1 mtp -41.63 143.84 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.28 -174.73 30.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -147.12 113.71 6.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.64 133.96 24.44 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.16 32.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.9 m 42.45 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.85 -177.42 15.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -68.06 115.08 7.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -98.06 100.57 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.47 139.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 136.22 50.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.033 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.51 108.07 2.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -157.07 -57.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.69 -56.07 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.72 -108.79 3.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 m -66.76 -176.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -166.37 158.6 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.49 -24.82 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.46 -43.9 84.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 71.7 m-20 -66.5 -37.55 85.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.707 HD23 HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -61.58 -70.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.3 -39.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -55.22 -60.1 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 46' ' ' LEU . 83.1 mt -52.32 -47.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -52.39 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.29 -46.19 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.28 -37.36 86.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -131.22 76.13 76.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -32.36 5.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.46 -48.28 80.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.0 mmm -51.23 172.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -92.22 135.58 33.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 27' ' ' VAL . 5.0 mt-30 -60.66 -56.49 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -26.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 25' ' ' GLN . 95.7 t -83.2 -55.46 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.707 HG22 HD23 ' A' ' 13' ' ' LEU . 23.6 mt -48.11 -31.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.54 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttt180 -83.67 -35.05 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 t -65.8 -14.21 60.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.9 t -94.48 -54.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.2 tp -53.34 -39.62 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.14 -31.22 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.02 -9.27 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' VAL . 94.4 mm-40 -105.62 24.98 11.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 63.35 12.03 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 91.4 38.85 5.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -97.29 140.22 32.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -90.54 -49.32 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -67.72 -50.45 57.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.54 -36.24 71.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -68.37 -53.74 21.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -50.85 -50.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -56.91 -43.86 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -46.72 89.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 16' ' ' ILE . 6.0 mt -61.44 -54.03 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.6 mt -42.74 -60.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -61.8 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.6 mmm -44.16 138.79 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 172.42 -110.01 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.59 125.56 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -85.34 151.74 56.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 60.55 5.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -147.34 -64.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.1 -179.2 31.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.26 14.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.77 124.25 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.7 m -66.51 137.48 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -131.76 81.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 41.96 80.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.95 93.18 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.75 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -127.15 -58.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.06 -139.85 20.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -47.71 170.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.5 142.63 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -27.95 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -62.95 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.877 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.94 -53.07 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.57 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -51.73 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 84.6 mt -55.77 -57.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -38.88 -51.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.68 -48.96 66.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ILE . 8.8 mmm -61.37 -39.78 91.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -129.48 77.54 77.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -57.73 -41.69 82.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.9 mmm -56.74 169.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.74 135.5 37.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.13 -56.48 19.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -41.99 -37.37 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -71.73 -55.58 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 17' ' ' GLN . 12.0 mt -44.73 -53.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' HD21 ' A' ' 13' ' ' LEU . 20.1 mtm180 -59.86 -49.09 79.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.07 -23.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.0 t -90.37 -55.2 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 ' OD1' ' A' ' 12' ' ' ASP . 24.5 tp -54.77 -39.39 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -29.98 62.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.92 -16.69 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . 93.6 mm-40 -99.25 27.07 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.68 21.96 6.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.8 43.81 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 6.1 t-20 -107.36 146.95 30.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -90.62 -61.5 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -53.03 39.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.84 -41.99 78.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.89 -60.21 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -43.71 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -40.99 -57.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 t -51.51 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.4 mt -45.19 -54.54 6.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.4 mt -41.2 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -58.35 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.5 mtt -41.8 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.37 -163.59 35.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -96.09 88.1 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.27 148.44 37.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 63.96 5.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.34 77.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.89 -143.29 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' SER . 18.3 Cg_endo -74.95 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 m 69.09 -64.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' PRO . 15.0 m -135.4 -57.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.84 99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -82.8 -58.81 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.66 99.58 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.83 161.93 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -150.68 128.91 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.12 52.34 1.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -171.18 172.94 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.78 147.66 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.43 -21.47 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -57.8 5.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.913 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.6 -54.68 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.702 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.37 -51.59 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' MET . 86.5 mt -55.59 -58.33 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -50.44 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' ILE . 7.8 mmm -59.65 -32.46 70.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.45 78.53 44.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -30.51 7.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.62 -43.55 93.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mmm -52.82 174.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.8 t0 -101.19 131.16 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.25 -58.49 7.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -40.05 -39.88 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG23 ' HB3' ' A' ' 24' ' ' ASP . 95.8 t -69.42 -56.0 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.583 ' HA ' HD21 ' A' ' 46' ' ' LEU . 16.3 mt -44.22 -54.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.702 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.4 mtt180 -59.24 -40.78 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -22.01 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.5 t -90.56 -54.1 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.913 HD22 ' OD1' ' A' ' 12' ' ' ASP . 65.6 tp -51.95 -44.17 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.34 -26.53 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.8 -5.76 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.7 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.2 mm-40 -112.61 21.97 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 11.97 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 90.72 38.55 6.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.85 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -96.13 146.0 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -92.83 -53.68 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.86 -48.26 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.85 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.0 -39.67 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -68.11 -60.06 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.6 mt -41.36 -57.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -48.07 -41.64 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.0 t -65.5 -58.48 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 28' ' ' ILE . 3.9 mt -53.03 -54.03 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.5 mt -40.5 -61.47 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -52.12 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.1 mtp -52.21 132.81 34.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.42 -145.87 16.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.99 103.67 15.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.98 154.74 58.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.37 17.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.14 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.32 156.84 27.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.02 4.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.1 p -88.77 124.96 34.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -105.99 101.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.34 151.69 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -102.22 167.87 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.67 -110.91 1.04 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -137.67 115.12 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -121.12 -58.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.063 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . 59.61 -133.34 51.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 9' ' ' SER . 13.8 p 41.97 -154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.421 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 172.75 140.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -83.75 -22.27 31.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.57 -44.34 35.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.25 -30.49 70.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -70.49 -70.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.34 -41.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.57 -60.29 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -51.78 -50.34 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.41 -52.97 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.07 -47.35 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmm -64.01 -36.96 85.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -129.97 77.02 77.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -42.6 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -52.21 -45.24 65.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.0 mmm -54.41 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -105.97 126.46 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -51.13 -59.88 3.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.6 -39.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' SER . 91.0 t -72.42 -54.41 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' CD2' ' A' ' 13' ' ' LEU . 29.8 mt -50.3 -31.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.651 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -84.47 -25.71 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.5 t -75.14 -15.87 60.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 42' ' ' ALA . 93.0 t -92.79 -49.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.9 tp -54.6 -42.56 71.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.79 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.68 -7.22 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.565 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 82.8 mm-40 -113.46 45.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.85 29.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 72.17 47.08 31.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.5 t-20 -108.53 130.69 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -81.82 -53.84 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.6 -54.04 49.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.76 -46.63 84.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -59.03 -53.53 57.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt -49.73 -57.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -53.51 -45.0 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -42.25 94.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.4 mt -65.58 -54.25 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.76 -55.19 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.26 151.05 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.58 -166.32 9.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -153.17 136.78 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -155.35 118.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.01 70.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER 160.11 121.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.55 159.39 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -58.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.82 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 157.24 36.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.6 p -151.7 163.17 39.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -154.76 107.55 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.973 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.43 -60.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.11 -170.21 24.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -153.53 126.49 8.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -159.67 142.69 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.8 -98.33 1.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -49.23 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.93 153.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 -29.86 22.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -54.59 20.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-20 -56.01 -46.41 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.5 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -39.17 -32.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -63.88 -58.34 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' A' ' 39' ' ' LYS . 54.6 mt -55.35 -46.28 78.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HA ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -45.68 -50.95 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.04 -43.04 73.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.2 mtp -66.76 -39.44 87.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 28' ' ' ILE . 42.4 m-85 -131.49 76.8 74.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -49.49 -46.55 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 mmm -55.73 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 63.6 m-20 -99.64 137.49 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.54 -58.65 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 70.6 t -77.46 -53.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.599 HG22 HD23 ' A' ' 13' ' ' LEU . 32.4 mt -52.89 -28.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.614 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -15.92 61.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 42' ' ' ALA . 76.1 t -93.3 -53.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.5 tp -51.22 -41.77 60.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -42.22 72.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.3 -15.33 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ASN . 94.4 mm-40 -103.55 35.1 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.95 33.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.83 38.81 89.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.787 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.4 t-20 -105.34 84.34 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' HD11 ' A' ' 16' ' ' ILE . 1.3 ttpm? -41.04 -62.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -40.96 -55.23 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.73 -39.61 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -53.78 -56.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -50.61 -42.59 56.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -52.25 64.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.7 mt -59.49 -50.82 72.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.34 -56.62 8.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -59.92 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.8 mtp -43.55 148.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.08 -84.21 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.02 80.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.8 125.18 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.55 36.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m 53.57 102.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.09 -90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 81.32 2.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.87 132.51 54.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 p -89.14 -56.67 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 52.2 92.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -160.89 141.98 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.02 104.25 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -107.35 125.52 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.965 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.53 105.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.65 175.83 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -50.01 176.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.44 156.85 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.27 -27.71 18.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.05 -51.56 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.784 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -59.76 -48.18 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.44 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -38.98 -45.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.11 -52.05 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.535 HD11 ' HG3' ' A' ' 39' ' ' LYS . 92.6 mt -68.97 -54.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -53.16 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -52.47 -48.21 66.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtp -62.26 -45.46 93.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -124.5 75.74 62.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.32 6.35 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.0 -41.65 88.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 63.2 mmm -59.87 168.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.4 m-20 -89.23 137.86 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.89 -60.6 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -31.35 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 89.4 t -74.36 -57.84 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 mt -42.26 -50.45 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -58.54 -46.91 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -23.17 40.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 42' ' ' ALA . 90.3 t -84.88 -53.04 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.784 HD22 ' OD2' ' A' ' 12' ' ' ASP . 22.1 tp -58.98 -38.0 78.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -42.25 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -13.79 61.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.718 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.7 mm-40 -104.51 38.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.21 39.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.52 50.46 64.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.3 t-20 -117.3 98.24 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.6 ttpt -50.47 -58.82 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.29 -64.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -49.04 -38.16 23.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -65.23 -51.73 59.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.92 -53.68 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.04 -44.6 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.66 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.89 -53.75 54.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.9 mt -40.64 -61.4 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -56.64 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 mmm -46.34 133.82 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.27 179.67 33.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -95.02 78.49 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -46.81 152.4 0.94 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 58.22 4.83 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.77 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.21 93.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.82 -146.48 19.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.27 7.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -141.09 -56.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 m -43.04 105.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 52.91 90.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -41.07 125.99 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.61 62.78 1.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 111.23 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -78.57 84.29 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.0 -123.11 5.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.1 m -106.79 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 2.2 t -156.82 155.56 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -78.69 -26.08 44.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.52 -55.69 18.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.806 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -54.85 -48.4 72.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -43.46 -70.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 8.9 mtmt -39.52 -46.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -48.68 -50.36 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' LEU . 62.0 mt -62.69 -52.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -54.38 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -49.08 -44.36 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 mmm -69.88 -40.33 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -128.59 77.3 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -40.81 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -53.99 -43.52 70.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 75.7 mmm -55.17 170.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 139.15 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.26 -58.29 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -44.57 -36.28 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 -57.47 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.4 mt -41.52 -51.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' A' ' 13' ' ' LEU . 34.4 mtt180 -62.73 -41.6 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -61.41 -15.65 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -91.67 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.806 HD22 ' OD1' ' A' ' 12' ' ' ASP . 45.7 tp -54.56 -37.48 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.81 -43.79 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.16 -8.48 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.603 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.6 mm-40 -108.77 43.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLN . 2.7 mtt180 38.75 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 64.26 49.55 65.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -116.66 93.05 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 9.2 ttpp -41.89 -56.33 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -47.18 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -48.37 -41.09 27.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 39' ' ' LYS . . . -62.04 -56.97 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 96.9 mt -44.12 -55.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -54.43 -45.63 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 16' ' ' ILE . 13.5 mt -57.97 -51.68 68.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -44.47 -60.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -58.18 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.0 mtt -38.8 138.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.77 113.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 50.47 92.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 134.01 82.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.74 5.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 m -90.3 165.27 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.02 166.04 46.08 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -47.4 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 t -46.22 113.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -80.87 125.86 30.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 65.08 166.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.99 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.8 -53.3 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.034 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.0 92.2 1.65 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -175.77 126.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.86 166.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.93 -106.82 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.4 m -104.94 -168.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -171.98 155.79 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.87 -25.37 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.95 -57.36 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.74 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -54.47 -49.07 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.02 -70.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.8 mmtt -39.06 -47.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -45.82 -57.21 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 46' ' ' LEU . 74.7 mt -66.89 -50.02 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -41.02 -50.75 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -54.24 -47.42 72.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.7 mtp -61.85 -35.07 77.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -132.01 77.05 72.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -53.89 -41.41 67.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 83.0 mmm -58.06 169.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 135.68 42.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.08 -53.04 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -39.51 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.33 -57.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 17' ' ' GLN . 11.9 mt -44.01 -55.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HG2' HD21 ' A' ' 13' ' ' LEU . 14.8 mtp180 -58.63 -34.45 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -22.11 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 42' ' ' ALA . 91.7 t -85.63 -49.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD22 ' OD1' ' A' ' 12' ' ' ASP . 5.3 tp -50.43 -59.26 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.15 -32.15 67.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.2 -11.77 59.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.738 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 77.3 mm-40 -115.34 41.87 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 39.54 31.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.47 47.82 33.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 15.9 t-20 -107.54 140.98 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' A' ' 43' ' ' ILE . 8.7 ttpt -89.13 -52.51 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.57 -60.03 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.738 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.63 -40.75 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -61.77 -50.44 72.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.9 mt -54.94 -62.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -45.72 -40.84 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -62.5 -53.62 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.6 mt -58.66 -51.71 68.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -42.01 -62.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -59.61 4.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.2 mmm -41.48 146.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.73 123.29 8.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.575 1.172 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.15 141.92 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.17 114.1 64.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.29 37.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -97.9 169.51 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.34 98.72 0.64 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 145.29 31.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 t -113.07 151.21 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 t -149.38 140.8 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -128.38 -59.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.24 57.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.434 1.083 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.78 -57.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 0.756 . . . . 0.0 110.027 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.0 136.92 57.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.6 -167.03 20.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -76.46 -173.53 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.99 145.99 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.76 -22.84 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.6 -48.13 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-20 -62.17 -39.74 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.09 -70.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 mttt -39.03 -42.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -52.83 -57.19 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.84 -52.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -52.5 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -52.0 -45.37 64.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.7 mmm -67.4 -37.92 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' HB3' ' CG ' ' A' ' 23' ' ' MET . 31.1 m-85 -127.85 75.46 78.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.75 7.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -69.21 -37.15 77.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 20' ' ' PHE . 79.6 mmm -58.35 172.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 1.8 m-20 -98.58 131.51 44.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.84 -49.44 75.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.19 -30.31 6.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 24' ' ' ASP . 86.7 t -78.67 -54.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.0 mt -44.31 -49.49 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' HG2' HD21 ' A' ' 13' ' ' LEU . 23.1 mtt85 -59.97 -48.8 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.9 m -50.66 -25.43 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' ALA . 61.6 t -89.89 -51.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.61 -40.62 75.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -31.29 63.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.8 -9.51 58.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.799 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.9 mm-40 -110.96 45.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 39.84 31.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.96 48.44 48.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 8.8 t-20 -104.22 148.53 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -92.89 -56.63 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.74 -46.5 70.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.674 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -59.57 -45.39 91.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.36 -60.61 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -40.35 -45.33 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD23 ' SD ' ' A' ' 49' ' ' MET . 3.5 mt -48.55 -32.55 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -59.97 -54.94 40.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -64.31 -65.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.418 ' SD ' HD23 ' A' ' 46' ' ' LEU . 3.4 ptp -40.04 155.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 -140.45 22.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -134.16 123.54 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.287 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.89 155.32 43.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.89 17.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.41 -55.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.09 -172.58 51.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.0 p -119.66 100.86 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 m -128.07 -58.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -58.12 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.29 160.45 42.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 124.32 28.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.4 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 p -59.2 154.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -139.6 2.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' CA ' ' A' ' 37' ' ' GLY . 75.3 m -57.66 172.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.8 166.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -17.95 34.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.48 -51.83 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 12.1 m-20 -60.39 -40.83 92.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -60.08 -70.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.29 -42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -51.11 -52.4 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 64.4 mt -60.71 -50.43 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.46 -51.18 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -51.65 -46.39 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.27 -35.25 80.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -133.27 76.69 68.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.03 4.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.4 p30 -62.68 -46.05 89.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mmm -51.38 175.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.5 m-20 -92.71 130.8 38.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.417 ' NE2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt-30 -58.75 -55.78 30.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -30.88 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 94.9 t -76.2 -54.34 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.717 HG22 HD23 ' A' ' 13' ' ' LEU . 50.9 mt -51.04 -32.33 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.4 ttt-85 -82.97 -24.81 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -74.24 -19.53 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 42' ' ' ALA . 87.1 t -89.82 -44.37 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.734 HD22 ' HG ' ' A' ' 13' ' ' LEU . 8.6 tp -57.67 -41.65 81.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -26.34 61.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.13 -5.78 56.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.586 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 74.1 mm-40 -117.63 48.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 39.31 28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 70.29 49.35 33.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.4 m-80 -101.08 146.58 27.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -92.83 -51.42 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.43 -48.29 67.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.95 -44.73 87.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.575 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -61.61 -53.89 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -51.81 -53.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -50.97 -46.9 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB3' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -58.75 -47.79 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.39 -46.14 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.3 mt -46.65 -58.73 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -53.88 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.5 mtt -43.46 134.16 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.61 171.85 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -132.04 56.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -75.11 151.29 85.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.84 136.66 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.52 99.03 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.6 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m 61.34 101.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -174.18 154.49 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -157.21 80.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.31 -58.13 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.84 168.23 54.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -112.82 -60.84 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 0.739 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.01 161.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.34 -117.46 3.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -49.28 170.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.98 168.42 27.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.5 -27.01 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.26 -58.39 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.709 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -53.14 -57.47 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -46.09 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.58 -54.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -41.07 -55.66 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 39' ' ' LYS . 65.0 mt -57.8 -52.26 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -52.2 3.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.28 -46.1 65.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -67.23 -37.49 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -129.57 76.99 77.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -44.53 -47.2 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.3 mmm -50.74 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.45 132.97 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -62.57 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -40.73 -34.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -75.69 -54.17 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG22 HD23 ' A' ' 13' ' ' LEU . 16.3 mt -50.12 -31.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.842 ' HB2' HD11 ' A' ' 13' ' ' LEU . 6.7 ttm180 -84.34 -30.88 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -71.65 -13.23 61.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t -94.71 -52.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD21 ' OD2' ' A' ' 12' ' ' ASP . 12.4 tp -55.2 -39.45 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -37.93 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.89 -8.83 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 90.1 mm-40 -109.56 42.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 42.26 29.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.01 44.75 87.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.2 t-20 -112.87 90.16 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.758 ' HE2' HD11 ' A' ' 43' ' ' ILE . 29.0 tttt -42.41 -58.3 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -43.87 -62.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -50.48 -45.12 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.7 -61.24 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.758 HD11 ' HE2' ' A' ' 39' ' ' LYS . 63.5 mt -40.36 -50.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -59.86 -44.96 93.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' ALA . 20.9 t -61.44 -49.38 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.8 mt -58.36 -53.22 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -42.49 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -57.46 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.18 139.25 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.94 -163.91 37.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -110.1 73.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.81 116.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 65.2 6.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t -129.92 157.53 42.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.89 98.74 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.07 2.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.1 p -111.23 148.61 32.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.35 -60.42 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -147.89 -57.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -66.81 163.48 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.34 -152.98 20.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p -94.06 124.12 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.04 140.4 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.3 160.37 3.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 p -53.17 179.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.23 165.88 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.87 -25.63 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.12 -58.77 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.799 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -52.4 -57.7 9.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -44.56 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -48.84 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.06 -51.46 13.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG21 HG23 ' A' ' 28' ' ' ILE . 54.6 mt -61.96 -50.97 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -52.3 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -53.7 -43.07 68.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' ILE . 6.2 mmm -71.7 -32.87 68.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.675 ' O ' HD11 ' A' ' 28' ' ' ILE . 82.9 m-85 -133.27 77.6 66.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -47.94 -37.99 15.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.8 mtp -56.9 175.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 10.2 m-20 -100.11 129.1 46.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -60.44 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -44.88 -40.48 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 63.1 t -68.59 -53.37 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 20' ' ' PHE . 49.3 mt -51.61 -36.58 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.867 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -79.73 -24.55 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -75.72 -16.32 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 46' ' ' LEU . 95.1 t -92.19 -48.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD21 ' OD2' ' A' ' 12' ' ' ASP . 13.4 tp -57.78 -42.72 84.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -41.92 75.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 -10.23 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.4 mm-40 -110.45 41.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 46.1 25.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.88 20.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.81 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.7 t-20 -107.16 127.0 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -79.49 -51.18 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.16 -54.34 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.81 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.79 -47.6 82.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -57.78 -55.5 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.712 ' HA ' HD12 ' A' ' 46' ' ' LEU . 36.1 mt -46.01 -50.7 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -57.28 -52.08 66.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -37.69 63.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 43' ' ' ILE . 3.5 mt -71.44 -53.54 13.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -44.04 -55.08 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.226 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -51.45 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.9 mtt -46.26 129.7 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.38 -178.19 17.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -135.43 115.5 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.41 114.21 43.24 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.58 43.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -141.21 86.74 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.63 168.15 22.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 p -168.09 136.24 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.79 -58.43 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.13 -24.5 22.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.53 -64.38 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.9 m-20 -48.33 -38.31 18.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.858 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -59.21 -70.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -39.35 -41.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.83 -52.27 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . 61.2 mt -59.79 -51.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.2 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.64 -47.66 66.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mmm -64.62 -42.66 95.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -126.61 76.19 74.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.0 -44.11 87.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mmm -50.71 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.13 135.01 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.88 -60.18 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.35 -32.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -75.77 -58.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 13' ' ' LEU . 69.3 mt -42.29 -51.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 mtt180 -64.9 -40.56 95.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -58.4 -17.35 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 71.3 t -93.96 -56.53 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.858 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.1 tp -50.52 -40.7 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -38.39 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.96 -6.49 58.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.7 mm-40 -111.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 39.25 29.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 63.83 49.08 70.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -117.77 96.16 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -58.0 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.62 -61.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.55 -46.0 63.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.08 -63.13 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.29 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.13 -45.39 91.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . 3.1 t -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.29 -50.35 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -43.87 -60.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -20.96 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -66.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -46.31 -31.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -64.07 -70.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.01 -33.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.55 -55.54 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.0 mt -60.32 -48.3 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' OE1' HD12 ' A' ' 28' ' ' ILE . 1.4 mm100 -42.2 -56.19 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -50.07 -45.26 52.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.5 mtp -66.6 -41.49 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.446 ' O ' HD11 ' A' ' 28' ' ' ILE . 43.9 m-85 -130.78 73.2 81.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.95 -32.63 5.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.4 mmm -54.38 156.63 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 68.9 m-20 -77.2 125.92 30.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.15 -50.15 49.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -33.26 21.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 96.0 t -76.31 -55.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.541 HG22 ' CD2' ' A' ' 13' ' ' LEU . 97.7 mt -43.41 -50.59 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' CZ ' HD13 ' A' ' 13' ' ' LEU . 14.9 mtt180 -66.18 -37.67 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -62.4 -15.21 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.7 t -94.42 -51.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 13' ' ' LEU . 6.6 tp -57.48 -39.48 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.05 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -15.98 60.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.661 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.9 mm-40 -101.4 32.45 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 45.52 33.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.85 40.98 89.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.2 t-20 -108.42 86.32 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.4 tttt -43.15 -61.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.59 -55.27 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.14 -38.26 82.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.14 -51.89 66.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.813 HD11 ' HE2' ' A' ' 39' ' ' LYS . 91.0 mt -52.75 -53.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -54.72 -45.27 74.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -55.5 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 4.2 mt -54.64 -52.39 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.7 mt -41.05 -59.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -26.39 18.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -61.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -50.17 -40.67 47.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.72 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.32 -33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -66.27 -55.17 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 46' ' ' LEU . 45.8 mt -55.21 -49.04 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.36 8.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.59 -38.49 54.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmm -76.27 -35.6 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -131.31 78.25 72.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -44.84 -35.11 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.602 ' CE ' HD22 ' A' ' 46' ' ' LEU . 46.2 mtp -59.2 165.35 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.44 132.92 46.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.8 mt-30 -47.37 -62.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.9 mm-40 -38.83 -40.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.87 -58.34 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.689 HG22 HD21 ' A' ' 13' ' ' LEU . 68.3 mt -43.65 -52.29 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' NE ' HD11 ' A' ' 13' ' ' LEU . 20.4 mtp180 -61.42 -46.75 88.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 m -51.73 -21.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.497 HG21 HD23 ' A' ' 46' ' ' LEU . 75.1 t -91.62 -55.92 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.76 HD22 ' HG ' ' A' ' 13' ' ' LEU . 7.1 tp -53.68 -41.65 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -39.49 66.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -70.9 -21.55 62.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' VAL . 97.5 mm-40 -98.32 26.03 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 53.64 52.47 13.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.5 56.74 16.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 43.5 t-20 -124.73 136.51 53.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.7 tttt -88.73 -47.9 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.15 -57.52 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.43 -39.68 76.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -63.52 -60.79 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 39' ' ' LYS . 56.4 mt -40.72 -58.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -45.76 -47.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.05 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.602 HD22 ' CE ' ' A' ' 23' ' ' MET . 16.8 mt -50.46 -50.4 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.69 -57.03 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.36 -26.97 46.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -60.16 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 41.6 m-20 -49.7 -41.87 44.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -57.88 -70.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.81 -33.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -64.93 -57.23 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' LEU . 65.3 mt -62.48 -49.14 85.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -52.68 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -55.96 -45.14 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 78.2 mtp -64.06 -42.66 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -124.78 73.9 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.93 2.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -58.9 -42.74 90.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mmm -54.91 172.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 27' ' ' VAL . 5.2 m-20 -96.33 129.26 43.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -53.31 -50.23 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.38 -35.12 7.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 24' ' ' ASP . 71.4 t -75.52 -54.99 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.5 mt -44.16 -51.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -60.63 -49.33 77.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.6 t -49.4 -22.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLN . 62.6 t -90.67 -55.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.7 tp -55.01 -39.38 69.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -27.79 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -82.91 -17.76 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' VAL . 96.1 mm-40 -98.45 24.66 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.36 22.76 13.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.7 43.49 8.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 4.2 t-20 -107.77 144.26 35.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -89.8 -66.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.94 -52.35 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.81 -39.99 75.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -65.85 -51.05 62.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -52.62 -55.41 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -47.99 -39.25 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.22 -54.53 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.04 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -41.07 -61.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -21.98 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -67.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.706 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.1 m-20 -57.69 -38.47 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -43.27 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -40.33 -51.2 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -40.32 -52.76 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.29 -54.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -51.72 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.54 -40.46 71.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.3 mtp -71.67 -38.54 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.63 ' O ' HD11 ' A' ' 28' ' ' ILE . 27.1 m-85 -132.17 75.41 74.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -54.12 -36.48 63.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.498 ' CE ' HD22 ' A' ' 46' ' ' LEU . 44.1 mtp -56.42 168.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.96 128.4 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -48.98 -63.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -39.03 -41.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.94 -60.84 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' O ' ' A' ' 20' ' ' PHE . 34.2 mt -40.77 -50.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD3' HD21 ' A' ' 13' ' ' LEU . 12.3 mtt180 -66.67 -40.77 88.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -55.77 -18.81 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.0 t -92.24 -56.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.9 tp -52.9 -41.73 64.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -41.48 69.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -13.94 61.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.1 mm-40 -101.84 29.77 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 54.54 22.65 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 79.22 37.19 25.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.924 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.5 t-20 -104.59 110.33 22.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HE2' HD12 ' A' ' 43' ' ' ILE . 1.3 ttpt -65.29 -53.17 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -51.87 -47.41 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -67.46 -38.73 84.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.01 -55.02 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.476 HD12 ' HE2' ' A' ' 39' ' ' LYS . 89.8 mt -51.53 -54.1 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -53.97 -38.18 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -45.75 69.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD22 ' CE ' ' A' ' 23' ' ' MET . 3.9 mt -63.24 -48.6 77.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.6 mt -43.62 -61.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.32 -25.19 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -54.73 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -56.19 -44.35 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.86 -70.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.44 -36.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.57 -59.88 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 46' ' ' LEU . 57.8 mt -54.16 -49.14 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -51.93 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -51.61 -45.22 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.6 mmm -67.07 -37.19 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.17 75.11 80.61 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.1 -48.31 79.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mmm -51.34 177.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -95.76 135.43 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.64 -58.92 6.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.38 -27.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 24' ' ' ASP . 79.4 t -80.39 -51.58 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 HD23 ' A' ' 13' ' ' LEU . 31.1 mt -54.66 -31.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 13' ' ' LEU . 8.1 ttt85 -84.45 -24.85 29.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -74.61 -16.08 60.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.1 t -93.3 -51.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.87 -39.58 62.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -35.7 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.33 -6.84 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.604 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 89.2 mm-40 -109.71 41.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 44.24 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 74.89 45.66 20.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 10.8 t-20 -105.55 143.0 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -91.28 -57.85 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -53.02 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.66 -44.08 81.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.69 -48.44 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.16 -44.89 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 5.2 t30 -58.73 -55.6 32.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.06 -52.46 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' HG21 ' A' ' 16' ' ' ILE . 9.8 mt -57.41 -56.57 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.4 mt -43.32 -60.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 44' ' ' ASN . 2.3 mp0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.15 -25.34 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.82 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 15.8 m-20 -59.72 -33.16 71.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.764 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -68.9 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.23 -30.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -61.64 -59.62 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.575 HD11 ' HG3' ' A' ' 39' ' ' LYS . 76.7 mt -53.35 -53.73 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.81 -51.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.18 -47.78 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mmm -63.78 -38.3 90.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -129.75 75.49 79.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.3 Cg_endo -75.0 -33.67 4.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -60.86 -44.6 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.7 mmm -54.9 177.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m-20 -93.83 128.97 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.76 -55.43 34.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -47.04 -35.1 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 79.3 t -72.67 -53.55 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 13' ' ' LEU . 34.5 mt -52.62 -30.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -84.62 -23.59 29.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -15.17 59.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 86.2 t -93.01 -50.28 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.764 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.2 tp -52.09 -42.35 63.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -41.72 78.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -10.11 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.674 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.1 mm-40 -106.58 37.44 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 44.93 26.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.79 41.82 55.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.09 . . . . 0.0 111.057 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.815 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HG3' HD11 ' A' ' 16' ' ' ILE . 6.7 ttpm? -53.49 -62.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -59.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.96 -44.43 63.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -60.77 -62.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.17 -48.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ALA . 1.4 t -62.03 -48.79 78.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.54 -50.83 71.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.8 mt -41.12 -60.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.94 -27.19 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.78 -45.36 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.785 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.75 -47.62 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.846 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -46.49 -71.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.49 -46.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.44 -56.88 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 39' ' ' LYS . 86.7 mt -59.5 -55.82 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.17 -58.61 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.38 -45.33 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ILE . 2.9 mtp -70.87 -33.08 70.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HD2' HG23 ' A' ' 16' ' ' ILE . 39.2 m-85 -134.92 79.85 50.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.94 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -44.2 -41.48 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.79 158.64 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -85.52 132.28 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.83 -41.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 24' ' ' ASP . 93.3 t -65.68 -53.73 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.9 mt -43.13 -48.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.846 ' HG2' HD21 ' A' ' 13' ' ' LEU . 33.9 mtt180 -63.1 -45.13 93.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -16.7 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG11 ' HG ' ' A' ' 46' ' ' LEU . 70.7 t -92.55 -52.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.785 HD22 ' OD2' ' A' ' 12' ' ' ASP . 14.5 tp -58.18 -40.21 80.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.67 -38.95 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.6 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.505 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.2 mm-40 -107.69 40.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 42.07 38.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.91 48.12 87.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.823 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 15.0 t-20 -117.15 99.08 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.8 ttpt -52.51 -60.8 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.77 -60.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.823 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.06 -45.07 61.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.15 74.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -48.55 -41.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -67.89 -45.0 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' HG11 ' A' ' 31' ' ' VAL . 8.7 mt -64.07 -54.18 38.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -41.36 -60.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.49 -24.82 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.46 -43.9 84.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 71.7 m-20 -66.5 -37.55 85.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.707 HD23 HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -61.58 -70.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.3 -39.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -55.22 -60.1 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 46' ' ' LEU . 83.1 mt -52.32 -47.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -52.39 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.29 -46.19 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.28 -37.36 86.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -131.22 76.13 76.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -32.36 5.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.46 -48.28 80.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.0 mmm -51.23 172.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -92.22 135.58 33.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 27' ' ' VAL . 5.0 mt-30 -60.66 -56.49 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -26.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 25' ' ' GLN . 95.7 t -83.2 -55.46 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.707 HG22 HD23 ' A' ' 13' ' ' LEU . 23.6 mt -48.11 -31.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.54 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttt180 -83.67 -35.05 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 t -65.8 -14.21 60.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.9 t -94.48 -54.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.2 tp -53.34 -39.62 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.14 -31.22 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.02 -9.27 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' VAL . 94.4 mm-40 -105.62 24.98 11.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 63.35 12.03 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 91.4 38.85 5.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -97.29 140.22 32.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -90.54 -49.32 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -67.72 -50.45 57.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.54 -36.24 71.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -68.37 -53.74 21.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -50.85 -50.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -56.91 -43.86 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -46.72 89.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 16' ' ' ILE . 6.0 mt -61.44 -54.03 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.6 mt -42.74 -60.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -27.95 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -62.95 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.877 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.94 -53.07 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.57 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -51.73 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 84.6 mt -55.77 -57.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -38.88 -51.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.68 -48.96 66.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ILE . 8.8 mmm -61.37 -39.78 91.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -129.48 77.54 77.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -57.73 -41.69 82.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.9 mmm -56.74 169.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.74 135.5 37.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.13 -56.48 19.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -41.99 -37.37 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -71.73 -55.58 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 17' ' ' GLN . 12.0 mt -44.73 -53.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' HD21 ' A' ' 13' ' ' LEU . 20.1 mtm180 -59.86 -49.09 79.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.07 -23.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.0 t -90.37 -55.2 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 ' OD1' ' A' ' 12' ' ' ASP . 24.5 tp -54.77 -39.39 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -29.98 62.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.92 -16.69 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . 93.6 mm-40 -99.25 27.07 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.68 21.96 6.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.8 43.81 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -107.36 146.95 30.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' N ' HD22 ' A' ' 38' ' ' ASN . 9.5 ttpt -90.62 -61.5 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -53.03 39.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.84 -41.99 78.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.89 -60.21 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -43.71 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -40.99 -57.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 t -51.51 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.4 mt -45.19 -54.54 6.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.4 mt -41.2 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.43 -21.47 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -57.8 5.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.913 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.6 -54.68 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.702 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.37 -51.59 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' MET . 86.5 mt -55.59 -58.33 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -50.44 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' ILE . 7.8 mmm -59.65 -32.46 70.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.45 78.53 44.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -30.51 7.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.62 -43.55 93.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mmm -52.82 174.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.8 t0 -101.19 131.16 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.25 -58.49 7.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -40.05 -39.88 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG23 ' HB3' ' A' ' 24' ' ' ASP . 95.8 t -69.42 -56.0 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.583 ' HA ' HD21 ' A' ' 46' ' ' LEU . 16.3 mt -44.22 -54.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.702 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.4 mtt180 -59.24 -40.78 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -22.01 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.5 t -90.56 -54.1 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.913 HD22 ' OD1' ' A' ' 12' ' ' ASP . 65.6 tp -51.95 -44.17 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.34 -26.53 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.8 -5.76 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.7 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.2 mm-40 -112.61 21.97 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 11.97 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 90.72 38.55 6.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.85 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -96.13 146.0 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -92.83 -53.68 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.86 -48.26 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.85 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.0 -39.67 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -68.11 -60.06 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.6 mt -41.36 -57.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -48.07 -41.64 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.0 t -65.5 -58.48 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 28' ' ' ILE . 3.9 mt -53.03 -54.03 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.5 mt -40.5 -61.47 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -83.75 -22.27 31.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.57 -44.34 35.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.25 -30.49 70.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -70.49 -70.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.34 -41.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.57 -60.29 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -51.78 -50.34 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.41 -52.97 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.07 -47.35 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmm -64.01 -36.96 85.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -129.97 77.02 77.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -42.6 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -52.21 -45.24 65.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.0 mmm -54.41 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -105.97 126.46 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -51.13 -59.88 3.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.6 -39.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' SER . 91.0 t -72.42 -54.41 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' CD2' ' A' ' 13' ' ' LEU . 29.8 mt -50.3 -31.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.651 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -84.47 -25.71 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.5 t -75.14 -15.87 60.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 42' ' ' ALA . 93.0 t -92.79 -49.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.9 tp -54.6 -42.56 71.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.79 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.68 -7.22 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.565 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 82.8 mm-40 -113.46 45.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.85 29.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 72.17 47.08 31.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.5 t-20 -108.53 130.69 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -81.82 -53.84 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.6 -54.04 49.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.76 -46.63 84.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -59.03 -53.53 57.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt -49.73 -57.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -53.51 -45.0 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -42.25 94.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.4 mt -65.58 -54.25 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.76 -55.19 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 -29.86 22.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -54.59 20.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-20 -56.01 -46.41 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.5 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -39.17 -32.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -63.88 -58.34 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' A' ' 39' ' ' LYS . 54.6 mt -55.35 -46.28 78.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.68 -50.95 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.04 -43.04 73.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.2 mtp -66.76 -39.44 87.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 28' ' ' ILE . 42.4 m-85 -131.49 76.8 74.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.3 Cg_endo -75.03 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -49.49 -46.55 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 mmm -55.73 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 63.6 m-20 -99.64 137.49 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.54 -58.65 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 70.6 t -77.46 -53.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.599 HG22 HD23 ' A' ' 13' ' ' LEU . 32.4 mt -52.89 -28.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.614 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -15.92 61.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 42' ' ' ALA . 76.1 t -93.3 -53.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.5 tp -51.22 -41.77 60.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -42.22 72.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.3 -15.33 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ASN . 94.4 mm-40 -103.55 35.1 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.95 33.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.83 38.81 89.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.787 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.4 t-20 -105.34 84.34 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' HD11 ' A' ' 16' ' ' ILE . 1.3 ttpm? -41.04 -62.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -40.96 -55.23 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.73 -39.61 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -53.78 -56.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -50.61 -42.59 56.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -52.25 64.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.7 mt -59.49 -50.82 72.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.34 -56.62 8.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.27 -27.71 18.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.05 -51.56 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.784 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -59.76 -48.18 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.44 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -38.98 -45.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.11 -52.05 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.535 HD11 ' HG3' ' A' ' 39' ' ' LYS . 92.6 mt -68.97 -54.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -53.16 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -52.47 -48.21 66.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtp -62.26 -45.46 93.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -124.5 75.74 62.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.32 6.35 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.0 -41.65 88.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 63.2 mmm -59.87 168.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.4 m-20 -89.23 137.86 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.89 -60.6 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -31.35 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 89.4 t -74.36 -57.84 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 mt -42.26 -50.45 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -58.54 -46.91 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -23.17 40.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 42' ' ' ALA . 90.3 t -84.88 -53.04 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.784 HD22 ' OD2' ' A' ' 12' ' ' ASP . 22.1 tp -58.98 -38.0 78.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -42.25 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -13.79 61.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.718 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.7 mm-40 -104.51 38.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.21 39.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.52 50.46 64.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.3 t-20 -117.3 98.24 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.6 ttpt -50.47 -58.82 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.29 -64.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -49.04 -38.16 23.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -65.23 -51.73 59.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.92 -53.68 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.04 -44.6 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.66 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.89 -53.75 54.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.9 mt -40.64 -61.4 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 2.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -78.69 -26.08 44.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.52 -55.69 18.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.806 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -54.85 -48.4 72.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -43.46 -70.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 8.9 mtmt -39.52 -46.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -48.68 -50.36 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' LEU . 62.0 mt -62.69 -52.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -42.64 -54.38 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -49.08 -44.36 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 mmm -69.88 -40.33 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -128.59 77.3 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.2 Cg_endo -75.02 -40.81 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -53.99 -43.52 70.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 75.7 mmm -55.17 170.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 139.15 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.26 -58.29 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -44.57 -36.28 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 -57.47 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.4 mt -41.52 -51.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' A' ' 13' ' ' LEU . 34.4 mtt180 -62.73 -41.6 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -61.41 -15.65 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -91.67 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.806 HD22 ' OD1' ' A' ' 12' ' ' ASP . 45.7 tp -54.56 -37.48 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.81 -43.79 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.16 -8.48 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.603 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.6 mm-40 -108.77 43.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLN . 2.7 mtt180 38.75 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 64.26 49.55 65.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -116.66 93.05 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 9.2 ttpp -41.89 -56.33 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -47.18 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -48.37 -41.09 27.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 39' ' ' LYS . . . -62.04 -56.97 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 96.9 mt -44.12 -55.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -54.43 -45.63 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 16' ' ' ILE . 13.5 mt -57.97 -51.68 68.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -44.47 -60.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.87 -25.37 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.95 -57.36 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.74 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -54.47 -49.07 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.02 -70.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.8 mmtt -39.06 -47.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -45.82 -57.21 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 46' ' ' LEU . 74.7 mt -66.89 -50.02 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -41.02 -50.75 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -54.24 -47.42 72.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.7 mtp -61.85 -35.07 77.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -132.01 77.05 72.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -53.89 -41.41 67.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 83.0 mmm -58.06 169.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 135.68 42.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.08 -53.04 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -39.51 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.33 -57.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 17' ' ' GLN . 11.9 mt -44.01 -55.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HG2' HD21 ' A' ' 13' ' ' LEU . 14.8 mtp180 -58.63 -34.45 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -22.11 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 42' ' ' ALA . 91.7 t -85.63 -49.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD22 ' OD1' ' A' ' 12' ' ' ASP . 5.3 tp -50.43 -59.26 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.15 -32.15 67.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.2 -11.77 59.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.738 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 77.3 mm-40 -115.34 41.87 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 39.54 31.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.47 47.82 33.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 15.9 t-20 -107.54 140.98 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' A' ' 43' ' ' ILE . 8.7 ttpt -89.13 -52.51 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.57 -60.03 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.738 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.63 -40.75 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -61.77 -50.44 72.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.9 mt -54.94 -62.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -45.72 -40.84 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -62.5 -53.62 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.6 mt -58.66 -51.71 68.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -42.01 -62.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.76 -22.84 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.6 -48.13 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-20 -62.17 -39.74 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.09 -70.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 mttt -39.03 -42.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -52.83 -57.19 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.84 -52.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -52.5 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -52.0 -45.37 64.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.7 mmm -67.4 -37.92 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' HB3' ' CG ' ' A' ' 23' ' ' MET . 31.1 m-85 -127.85 75.46 78.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.75 7.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -69.21 -37.15 77.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 20' ' ' PHE . 79.6 mmm -58.35 172.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 1.8 m-20 -98.58 131.51 44.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.84 -49.44 75.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.19 -30.31 6.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 24' ' ' ASP . 86.7 t -78.67 -54.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.0 mt -44.31 -49.49 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' HG2' HD21 ' A' ' 13' ' ' LEU . 23.1 mtt85 -59.97 -48.8 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.9 m -50.66 -25.43 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' ALA . 61.6 t -89.89 -51.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.61 -40.62 75.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -31.29 63.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.8 -9.51 58.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.799 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.9 mm-40 -110.96 45.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 39.84 31.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.96 48.44 48.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 8.8 t-20 -104.22 148.53 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -92.89 -56.63 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.74 -46.5 70.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.674 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -59.57 -45.39 91.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.36 -60.61 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -40.35 -45.33 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -48.55 -32.55 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -59.97 -54.94 40.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -17.95 34.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.48 -51.83 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 12.1 m-20 -60.39 -40.83 92.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -60.08 -70.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.29 -42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -51.11 -52.4 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 64.4 mt -60.71 -50.43 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.46 -51.18 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -51.65 -46.39 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.27 -35.25 80.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -133.27 76.69 68.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.03 4.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.4 p30 -62.68 -46.05 89.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mmm -51.38 175.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.5 m-20 -92.71 130.8 38.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.417 ' NE2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt-30 -58.75 -55.78 30.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -30.88 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 94.9 t -76.2 -54.34 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.717 HG22 HD23 ' A' ' 13' ' ' LEU . 50.9 mt -51.04 -32.33 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.4 ttt-85 -82.97 -24.81 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -74.24 -19.53 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 42' ' ' ALA . 87.1 t -89.82 -44.37 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.734 HD22 ' HG ' ' A' ' 13' ' ' LEU . 8.6 tp -57.67 -41.65 81.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -26.34 61.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.13 -5.78 56.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.586 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 74.1 mm-40 -117.63 48.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 39.31 28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 70.29 49.35 33.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.4 m-80 -101.08 146.58 27.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -92.83 -51.42 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.43 -48.29 67.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.95 -44.73 87.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.575 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -61.61 -53.89 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -51.81 -53.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -50.97 -46.9 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB3' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -58.75 -47.79 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.39 -46.14 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.3 mt -46.65 -58.73 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.5 -27.01 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.26 -58.39 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.709 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -53.14 -57.47 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -46.09 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.58 -54.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -41.07 -55.66 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 39' ' ' LYS . 65.0 mt -57.8 -52.26 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -52.2 3.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.28 -46.1 65.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -67.23 -37.49 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -129.57 76.99 77.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -44.53 -47.2 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.3 mmm -50.74 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.45 132.97 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -62.57 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -40.73 -34.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -75.69 -54.17 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG22 HD23 ' A' ' 13' ' ' LEU . 16.3 mt -50.12 -31.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.842 ' HB2' HD11 ' A' ' 13' ' ' LEU . 6.7 ttm180 -84.34 -30.88 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -71.65 -13.23 61.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t -94.71 -52.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD21 ' OD2' ' A' ' 12' ' ' ASP . 12.4 tp -55.2 -39.45 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -37.93 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.89 -8.83 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 90.1 mm-40 -109.56 42.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 42.26 29.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.01 44.75 87.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -112.87 90.16 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.758 ' HE2' HD11 ' A' ' 43' ' ' ILE . 29.0 tttt -42.41 -58.3 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -43.87 -62.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -50.48 -45.12 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.7 -61.24 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.758 HD11 ' HE2' ' A' ' 39' ' ' LYS . 63.5 mt -40.36 -50.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -59.86 -44.96 93.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' ALA . 20.9 t -61.44 -49.38 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.8 mt -58.36 -53.22 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -42.49 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.87 -25.63 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.12 -58.77 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.799 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -52.4 -57.7 9.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -44.56 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -48.84 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.06 -51.46 13.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG21 HG23 ' A' ' 28' ' ' ILE . 54.6 mt -61.96 -50.97 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -52.3 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -53.7 -43.07 68.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' ILE . 6.2 mmm -71.7 -32.87 68.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.675 ' O ' HD11 ' A' ' 28' ' ' ILE . 82.9 m-85 -133.27 77.6 66.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -47.94 -37.99 15.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.8 mtp -56.9 175.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 10.2 m-20 -100.11 129.1 46.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -60.44 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -44.88 -40.48 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 63.1 t -68.59 -53.37 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 20' ' ' PHE . 49.3 mt -51.61 -36.58 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.867 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -79.73 -24.55 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -75.72 -16.32 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 46' ' ' LEU . 95.1 t -92.19 -48.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD21 ' OD2' ' A' ' 12' ' ' ASP . 13.4 tp -57.78 -42.72 84.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -41.92 75.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 -10.23 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.4 mm-40 -110.45 41.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 46.1 25.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.88 20.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.81 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.7 t-20 -107.16 127.0 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -79.49 -51.18 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.16 -54.34 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.81 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.79 -47.6 82.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -57.78 -55.5 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.712 ' HA ' HD12 ' A' ' 46' ' ' LEU . 36.1 mt -46.01 -50.7 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -57.28 -52.08 66.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -37.69 63.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 43' ' ' ILE . 3.5 mt -71.44 -53.54 13.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -44.04 -55.08 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.226 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 56.74 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.79 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.27 92.45 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -45.9 -63.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.23 92.05 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.76 -139.67 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 p -49.44 168.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.86 153.37 18.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.13 -24.5 22.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.53 -64.38 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.9 m-20 -48.33 -38.31 18.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.858 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -59.21 -70.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -39.35 -41.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.83 -52.27 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . 61.2 mt -59.79 -51.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.2 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.64 -47.66 66.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mmm -64.62 -42.66 95.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -126.61 76.19 74.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.71 2.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.0 -44.11 87.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mmm -50.71 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.13 135.01 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.88 -60.18 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.35 -32.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -75.77 -58.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 13' ' ' LEU . 69.3 mt -42.29 -51.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 mtt180 -64.9 -40.56 95.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -58.4 -17.35 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLN . 71.3 t -93.96 -56.53 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.858 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.1 tp -50.52 -40.7 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -38.39 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.96 -6.49 58.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.7 mm-40 -111.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 39.25 29.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 63.83 49.08 70.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -117.77 96.16 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -58.0 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.62 -61.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.55 -46.0 63.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.08 -63.13 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.29 -53.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.13 -45.39 91.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . 3.1 t -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.29 -50.35 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -43.87 -60.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.4 -57.27 13.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.2 mmm -45.45 135.71 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.61 33.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -138.5 123.52 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.22 150.82 37.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.95 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 m -55.53 162.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.85 -156.92 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.75 24.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.0 p -136.7 125.91 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -134.03 -58.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -153.53 117.86 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p 41.26 83.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.7 -64.31 4.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.31 -60.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 p -173.57 106.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.16 -145.77 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 m -123.53 178.34 5.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.91 160.01 39.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -20.96 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -66.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -46.31 -31.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -64.07 -70.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.01 -33.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.55 -55.54 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.0 mt -60.32 -48.3 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' OE1' HD12 ' A' ' 28' ' ' ILE . 1.4 mm100 -42.2 -56.19 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -50.07 -45.26 52.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.5 mtp -66.6 -41.49 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' O ' HD11 ' A' ' 28' ' ' ILE . 43.9 m-85 -130.78 73.2 81.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.95 -32.63 5.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.4 mmm -54.38 156.63 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 68.9 m-20 -77.2 125.92 30.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.15 -50.15 49.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -33.26 21.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 96.0 t -76.31 -55.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.541 HG22 ' CD2' ' A' ' 13' ' ' LEU . 97.7 mt -43.41 -50.59 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' CZ ' HD13 ' A' ' 13' ' ' LEU . 14.9 mtt180 -66.18 -37.67 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -62.4 -15.21 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.7 t -94.42 -51.47 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HG ' ' A' ' 13' ' ' LEU . 6.6 tp -57.48 -39.48 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.05 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -15.98 60.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.661 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.9 mm-40 -101.4 32.45 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 45.52 33.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.85 40.98 89.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.2 t-20 -108.42 86.32 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.4 tttt -43.15 -61.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.59 -55.27 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.14 -38.26 82.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.14 -51.89 66.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.813 HD11 ' HE2' ' A' ' 39' ' ' LYS . 91.0 mt -52.75 -53.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -54.72 -45.27 74.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -55.5 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 4.2 mt -54.64 -52.39 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.7 mt -41.05 -59.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -57.52 11.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.3 mtp -42.12 125.14 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.09 -104.32 2.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -156.4 138.28 14.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 156.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.88 20.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.6 t -62.51 143.28 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.48 -91.0 0.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m 72.0 -68.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 91.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -148.84 133.99 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -57.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.31 137.69 9.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -154.88 144.45 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.78 78.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.03 -78.65 0.22 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -170.48 170.96 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.66 155.68 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.92 -26.39 18.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -61.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -50.17 -40.67 47.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.72 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.32 -33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -66.27 -55.17 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 46' ' ' LEU . 45.8 mt -55.21 -49.04 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.36 8.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.59 -38.49 54.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmm -76.27 -35.6 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -131.31 78.25 72.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -44.84 -35.11 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.602 ' CE ' HD22 ' A' ' 46' ' ' LEU . 46.2 mtp -59.2 165.35 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.44 132.92 46.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.8 mt-30 -47.37 -62.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.9 mm-40 -38.83 -40.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.87 -58.34 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.689 HG22 HD21 ' A' ' 13' ' ' LEU . 68.3 mt -43.65 -52.29 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' NE ' HD11 ' A' ' 13' ' ' LEU . 20.4 mtp180 -61.42 -46.75 88.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 m -51.73 -21.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.497 HG21 HD23 ' A' ' 46' ' ' LEU . 75.1 t -91.62 -55.92 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.76 HD22 ' HG ' ' A' ' 13' ' ' LEU . 7.1 tp -53.68 -41.65 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -39.49 66.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -70.9 -21.55 62.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' VAL . 97.5 mm-40 -98.32 26.03 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 53.64 52.47 13.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.5 56.74 16.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 43.5 t-20 -124.73 136.51 53.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 43' ' ' ILE . 8.7 tttt -88.73 -47.9 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.15 -57.52 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.43 -39.68 76.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -63.52 -60.79 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 39' ' ' LYS . 56.4 mt -40.72 -58.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -45.76 -47.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.421 ' HB3' ' HE3' ' A' ' 49' ' ' MET . 0.4 OUTLIER -63.96 -55.05 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.602 HD22 ' CE ' ' A' ' 23' ' ' MET . 16.8 mt -50.46 -50.4 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.69 -57.03 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -54.56 33.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.421 ' HE3' ' HB3' ' A' ' 45' ' ' SER . 19.4 mtt -49.49 127.6 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 88.52 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 39.01 90.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CG ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -131.13 150.68 77.24 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 52' ' ' GLU . 18.3 Cg_endo -74.96 163.94 34.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -50.69 18.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.27 114.81 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.78 4.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -174.58 160.48 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.85 84.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -124.11 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p 179.13 95.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.0 172.86 35.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -104.54 169.71 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.81 152.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 -152.67 14.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -47.65 167.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.404 ' H ' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -160.66 145.26 14.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.36 -26.97 46.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -60.16 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 41.6 m-20 -49.7 -41.87 44.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -57.88 -70.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.81 -33.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -64.93 -57.23 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' LEU . 65.3 mt -62.48 -49.14 85.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -52.68 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -55.96 -45.14 78.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 78.2 mtp -64.06 -42.66 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -124.78 73.9 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.93 2.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -58.9 -42.74 90.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mmm -54.91 172.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 27' ' ' VAL . 5.2 m-20 -96.33 129.26 43.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -53.31 -50.23 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.38 -35.12 7.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 24' ' ' ASP . 71.4 t -75.52 -54.99 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.5 mt -44.16 -51.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -60.63 -49.33 77.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 2.6 t -49.4 -22.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' GLN . 62.6 t -90.67 -55.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.7 tp -55.01 -39.38 69.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -27.79 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -82.91 -17.76 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' VAL . 96.1 mm-40 -98.45 24.66 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.36 22.76 13.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.7 43.49 8.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.803 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 4.2 t-20 -107.77 144.26 35.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -89.8 -66.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.94 -52.35 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.81 -39.99 75.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -65.85 -51.05 62.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -52.62 -55.41 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -47.99 -39.25 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.22 -54.53 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.04 -53.17 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.7 mt -41.07 -61.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -56.05 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.2 mtm -50.29 133.11 24.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.33 -167.41 33.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 58.43 79.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -102.36 109.93 61.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 63.93 6.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.3 t 42.01 84.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.89 -147.19 0.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 t -105.69 -59.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.7 p -49.83 119.33 3.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -70.49 -58.24 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 168.37 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.44 67.74 0.38 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.63 129.24 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 0.805 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.62 144.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.54 167.35 15.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 p -49.2 161.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -163.42 130.45 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -21.98 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -67.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.706 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.1 m-20 -57.69 -38.47 75.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -43.27 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -40.33 -51.2 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -40.32 -52.76 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.29 -54.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -51.72 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.54 -40.46 71.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.3 mtp -71.67 -38.54 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.63 ' O ' HD11 ' A' ' 28' ' ' ILE . 27.1 m-85 -132.17 75.41 74.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -54.12 -36.48 63.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.498 ' CE ' HD22 ' A' ' 46' ' ' LEU . 44.1 mtp -56.42 168.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.96 128.4 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -48.98 -63.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -39.03 -41.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.94 -60.84 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' O ' ' A' ' 20' ' ' PHE . 34.2 mt -40.77 -50.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD3' HD21 ' A' ' 13' ' ' LEU . 12.3 mtt180 -66.67 -40.77 88.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -55.77 -18.81 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.0 t -92.24 -56.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 6.9 tp -52.9 -41.73 64.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -41.48 69.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -13.94 61.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 95.1 mm-40 -101.84 29.77 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 54.54 22.65 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 79.22 37.19 25.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.924 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 9.5 t-20 -104.59 110.33 22.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HE2' HD12 ' A' ' 43' ' ' ILE . 1.3 ttpt -65.29 -53.17 48.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -51.87 -47.41 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -67.46 -38.73 84.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.01 -55.02 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.476 HD12 ' HE2' ' A' ' 39' ' ' LYS . 89.8 mt -51.53 -54.1 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -53.97 -38.18 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -45.75 69.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD22 ' CE ' ' A' ' 23' ' ' MET . 3.9 mt -63.24 -48.6 77.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.6 mt -43.62 -61.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -53.63 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.6 mtt -45.58 127.54 7.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.47 -139.85 41.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.97 110.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -74.6 150.05 86.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.99 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.7 p -110.96 86.61 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.45 157.23 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 162.09 37.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.53 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 p -85.97 170.13 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 p -77.41 160.84 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -46.61 -56.7 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.38 -115.77 6.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.73 94.94 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -110.3 121.85 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.43 176.07 29.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.8 p -50.77 172.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.64 152.02 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.32 -25.19 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -54.73 10.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.8 m-20 -56.19 -44.35 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.86 -70.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -39.44 -36.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -59.57 -59.88 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 46' ' ' LEU . 57.8 mt -54.16 -49.14 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -51.93 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -51.61 -45.22 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.6 mmm -67.07 -37.19 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.17 75.11 80.61 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.1 -48.31 79.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mmm -51.34 177.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -95.76 135.43 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.64 -58.92 6.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.38 -27.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 24' ' ' ASP . 79.4 t -80.39 -51.58 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 HD23 ' A' ' 13' ' ' LEU . 31.1 mt -54.66 -31.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 13' ' ' LEU . 8.1 ttt85 -84.45 -24.85 29.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -74.61 -16.08 60.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 42' ' ' ALA . 79.1 t -93.3 -51.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.87 -39.58 62.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -35.7 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.33 -6.84 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.604 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 89.2 mm-40 -109.71 41.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 44.24 26.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 74.89 45.66 20.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 10.8 t-20 -105.55 143.0 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -91.28 -57.85 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -53.02 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.66 -44.08 81.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -62.69 -48.44 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.16 -44.89 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 5.2 t30 -58.73 -55.6 32.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.06 -52.46 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' HG21 ' A' ' 16' ' ' ILE . 9.8 mt -57.41 -56.57 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.4 mt -43.32 -60.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 44' ' ' ASN . 2.3 mp0 -58.2 -60.47 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.0 mmm -41.02 142.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.8 95.89 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.98 92.94 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.11 151.34 39.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 62.84 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 p -175.9 126.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.0 157.32 7.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.51 14.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m 54.23 170.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -67.22 -57.44 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -156.9 -66.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.64 144.14 31.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.37 114.29 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -141.47 112.04 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -173.07 84.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.24 -108.88 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 p -47.69 169.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.81 155.07 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.15 -25.34 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.82 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 15.8 m-20 -59.72 -33.16 71.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.764 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -68.9 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.23 -30.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -61.64 -59.62 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.575 HD11 ' HG3' ' A' ' 39' ' ' LYS . 76.7 mt -53.35 -53.73 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -38.81 -51.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.18 -47.78 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mmm -63.78 -38.3 90.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -129.75 75.49 79.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.3 Cg_endo -75.0 -33.67 4.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -60.86 -44.6 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.7 mmm -54.9 177.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m-20 -93.83 128.97 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.76 -55.43 34.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -47.04 -35.1 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 79.3 t -72.67 -53.55 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 13' ' ' LEU . 34.5 mt -52.62 -30.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -84.62 -23.59 29.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -15.17 59.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 86.2 t -93.01 -50.28 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.764 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.2 tp -52.09 -42.35 63.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -41.72 78.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -10.11 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.674 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.1 mm-40 -106.58 37.44 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 44.93 26.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.79 41.82 55.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.09 . . . . 0.0 111.057 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.815 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -110.55 102.93 11.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HG3' HD11 ' A' ' 16' ' ' ILE . 6.7 ttpm? -53.49 -62.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -59.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.96 -44.43 63.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -60.77 -62.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.17 -48.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ALA . 1.4 t -62.03 -48.79 78.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.54 -50.83 71.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.8 mt -41.12 -60.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -58.6 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -47.76 156.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.1 -161.66 26.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 56.3 83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.28 151.46 59.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.01 4.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 t -126.79 -69.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.07 161.01 29.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 121.06 6.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.4 t -68.61 93.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.05 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 77.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 p -145.95 154.55 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.29 147.75 19.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 t -69.67 73.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -119.17 163.72 16.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.39 -105.0 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 p -86.3 169.46 12.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.8 155.31 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.94 -27.19 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.78 -45.36 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.785 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.75 -47.62 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.846 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -46.49 -71.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.49 -46.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.44 -56.88 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 39' ' ' LYS . 86.7 mt -59.5 -55.82 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -39.17 -58.61 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.38 -45.33 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ILE . 2.9 mtp -70.87 -33.08 70.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HD2' HG23 ' A' ' 16' ' ' ILE . 39.2 m-85 -134.92 79.85 50.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.5 Cg_endo -74.94 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.434 1.755 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -44.2 -41.48 5.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.79 158.64 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -85.52 132.28 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.83 -41.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 24' ' ' ASP . 93.3 t -65.68 -53.73 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.9 mt -43.13 -48.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.846 ' HG2' HD21 ' A' ' 13' ' ' LEU . 33.9 mtt180 -63.1 -45.13 93.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -16.7 14.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG11 ' HG ' ' A' ' 46' ' ' LEU . 70.7 t -92.55 -52.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.785 HD22 ' OD2' ' A' ' 12' ' ' ASP . 14.5 tp -58.18 -40.21 80.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.67 -38.95 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.6 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.505 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 91.2 mm-40 -107.69 40.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 42.07 38.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.91 48.12 87.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.823 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 15.0 t-20 -117.15 99.08 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.8 ttpt -52.51 -60.8 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.77 -60.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.823 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -51.06 -45.07 61.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.15 74.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -48.55 -41.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -67.89 -45.0 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' HG11 ' A' ' 31' ' ' VAL . 8.7 mt -64.07 -54.18 38.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -41.36 -60.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -57.42 12.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.1 mtp -41.63 143.84 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.28 -174.73 30.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -147.12 113.71 6.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.64 133.96 24.44 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.16 32.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.9 m 42.45 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.85 -177.42 15.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -68.06 115.08 7.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -98.06 100.57 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.47 139.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 136.22 50.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 110.033 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.51 108.07 2.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -157.07 -57.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.69 -56.07 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.72 -108.79 3.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 m -66.76 -176.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -166.37 158.6 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.49 -24.82 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.46 -43.9 84.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 71.7 m-20 -66.5 -37.55 85.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.707 HD23 HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -61.58 -70.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.3 -39.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -55.22 -60.1 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 46' ' ' LEU . 83.1 mt -52.32 -47.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -52.39 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.29 -46.19 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.28 -37.36 86.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -131.22 76.13 76.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -32.36 5.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.46 -48.28 80.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.0 mmm -51.23 172.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -92.22 135.58 33.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 27' ' ' VAL . 5.0 mt-30 -60.66 -56.49 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -26.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 25' ' ' GLN . 95.7 t -83.2 -55.46 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.707 HG22 HD23 ' A' ' 13' ' ' LEU . 23.6 mt -48.11 -31.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.54 ' HB2' HD11 ' A' ' 13' ' ' LEU . 9.9 ttt180 -83.67 -35.05 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 t -65.8 -14.21 60.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 75.9 t -94.48 -54.49 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.2 tp -53.34 -39.62 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.14 -31.22 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.02 -9.27 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' VAL . 94.4 mm-40 -105.62 24.98 11.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 63.35 12.03 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 91.4 38.85 5.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -97.29 140.22 32.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -90.54 -49.32 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -67.72 -50.45 57.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.54 -36.24 71.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -68.37 -53.74 21.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -50.85 -50.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -56.91 -43.86 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -46.72 89.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 16' ' ' ILE . 6.0 mt -61.44 -54.03 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.6 mt -42.74 -60.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -61.8 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.6 mmm -44.16 138.79 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 172.42 -110.01 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.59 125.56 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -85.34 151.74 56.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 60.55 5.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -147.34 -64.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.1 -179.2 31.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.26 14.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.77 124.25 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.7 m -66.51 137.48 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -131.76 81.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 41.96 80.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.95 93.18 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.75 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -127.15 -58.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.06 -139.85 20.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -47.71 170.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.5 142.63 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -27.95 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -62.95 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.877 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.94 -53.07 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.57 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -51.73 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 84.6 mt -55.77 -57.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -38.88 -51.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.68 -48.96 66.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ILE . 8.8 mmm -61.37 -39.78 91.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -129.48 77.54 77.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -57.73 -41.69 82.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.9 mmm -56.74 169.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.74 135.5 37.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -55.13 -56.48 19.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -41.99 -37.37 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.5 t -71.73 -55.58 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 17' ' ' GLN . 12.0 mt -44.73 -53.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' HD21 ' A' ' 13' ' ' LEU . 20.1 mtm180 -59.86 -49.09 79.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.07 -23.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 42' ' ' ALA . 78.0 t -90.37 -55.2 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 ' OD1' ' A' ' 12' ' ' ASP . 24.5 tp -54.77 -39.39 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -29.98 62.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.92 -16.69 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . 93.6 mm-40 -99.25 27.07 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.68 21.96 6.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 81.8 43.81 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -107.36 146.95 30.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' N ' HD22 ' A' ' 38' ' ' ASN . 9.5 ttpt -90.62 -61.5 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -53.03 39.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -56.84 -41.99 78.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -63.89 -60.21 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -43.71 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -40.99 -57.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 t -51.51 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.4 mt -45.19 -54.54 6.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.4 mt -41.2 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -58.35 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.5 mtt -41.8 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.37 -163.59 35.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -96.09 88.1 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.27 148.44 37.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 63.96 5.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.34 77.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.89 -143.29 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' SER . 18.3 Cg_endo -74.95 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 m 69.09 -64.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' PRO . 15.0 m -135.4 -57.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.84 99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -82.8 -58.81 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.66 99.58 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.83 161.93 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -150.68 128.91 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.12 52.34 1.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -171.18 172.94 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.78 147.66 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.43 -21.47 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -57.8 5.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.913 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.6 -54.68 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.702 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -43.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.37 -51.59 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.77 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' MET . 86.5 mt -55.59 -58.33 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -50.44 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' ILE . 7.8 mmm -59.65 -32.46 70.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.45 78.53 44.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -30.51 7.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.62 -43.55 93.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mmm -52.82 174.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.8 t0 -101.19 131.16 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.25 -58.49 7.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -40.05 -39.88 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG23 ' HB3' ' A' ' 24' ' ' ASP . 95.8 t -69.42 -56.0 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.583 ' HA ' HD21 ' A' ' 46' ' ' LEU . 16.3 mt -44.22 -54.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.702 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.4 mtt180 -59.24 -40.78 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -22.01 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLN . 76.5 t -90.56 -54.1 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.913 HD22 ' OD1' ' A' ' 12' ' ' ASP . 65.6 tp -51.95 -44.17 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.34 -26.53 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.8 -5.76 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.7 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 80.2 mm-40 -112.61 21.97 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 11.97 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 90.72 38.55 6.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.85 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -96.13 146.0 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -92.83 -53.68 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.86 -48.26 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.85 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.0 -39.67 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -68.11 -60.06 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.6 mt -41.36 -57.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -48.07 -41.64 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.0 t -65.5 -58.48 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 28' ' ' ILE . 3.9 mt -53.03 -54.03 41.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.5 mt -40.5 -61.47 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -52.12 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.1 mtp -52.21 132.81 34.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.42 -145.87 16.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.99 103.67 15.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.98 154.74 58.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.37 17.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.14 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.32 156.84 27.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.02 4.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.1 p -88.77 124.96 34.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -105.99 101.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.34 151.69 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -102.22 167.87 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.67 -110.91 1.04 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -137.67 115.12 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -121.12 -58.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.063 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . 59.61 -133.34 51.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 9' ' ' SER . 13.8 p 41.97 -154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.421 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 172.75 140.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -83.75 -22.27 31.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.57 -44.34 35.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.25 -30.49 70.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -70.49 -70.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.34 -41.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.57 -60.29 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -51.78 -50.34 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.41 -52.97 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.07 -47.35 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmm -64.01 -36.96 85.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -129.97 77.02 77.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -42.6 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -52.21 -45.24 65.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.0 mmm -54.41 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -105.97 126.46 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -51.13 -59.88 3.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.6 -39.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' SER . 91.0 t -72.42 -54.41 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' CD2' ' A' ' 13' ' ' LEU . 29.8 mt -50.3 -31.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.651 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -84.47 -25.71 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.5 t -75.14 -15.87 60.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 42' ' ' ALA . 93.0 t -92.79 -49.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 13' ' ' LEU . 4.9 tp -54.6 -42.56 71.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.79 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.68 -7.22 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.565 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 82.8 mm-40 -113.46 45.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.85 29.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLN . . . 72.17 47.08 31.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.5 t-20 -108.53 130.69 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -81.82 -53.84 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.6 -54.04 49.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.76 -46.63 84.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -59.03 -53.53 57.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt -49.73 -57.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -53.51 -45.0 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -42.25 94.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.4 mt -65.58 -54.25 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.76 -55.19 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.26 151.05 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 59.58 -166.32 9.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -153.17 136.78 15.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -155.35 118.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.01 70.34 5.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER 160.11 121.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.55 159.39 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -58.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.82 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 157.24 36.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.6 p -151.7 163.17 39.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -154.76 107.55 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.973 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.43 -60.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.11 -170.21 24.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -153.53 126.49 8.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -159.67 142.69 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.8 -98.33 1.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -49.23 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.93 153.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 -29.86 22.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -54.59 20.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-20 -56.01 -46.41 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.5 -70.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -39.17 -32.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -63.88 -58.34 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' A' ' 39' ' ' LYS . 54.6 mt -55.35 -46.28 78.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -45.68 -50.95 13.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.04 -43.04 73.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.2 mtp -66.76 -39.44 87.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 28' ' ' ILE . 42.4 m-85 -131.49 76.8 74.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.3 Cg_endo -75.03 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -49.49 -46.55 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 mmm -55.73 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 63.6 m-20 -99.64 137.49 38.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.54 -58.65 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 70.6 t -77.46 -53.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.599 HG22 HD23 ' A' ' 13' ' ' LEU . 32.4 mt -52.89 -28.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.614 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -15.92 61.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 42' ' ' ALA . 76.1 t -93.3 -53.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . 4.5 tp -51.22 -41.77 60.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -42.22 72.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.3 -15.33 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ASN . 94.4 mm-40 -103.55 35.1 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.95 33.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 67.83 38.81 89.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.787 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.4 t-20 -105.34 84.34 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' HD11 ' A' ' 16' ' ' ILE . 1.3 ttpm? -41.04 -62.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -40.96 -55.23 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -60.73 -39.61 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -53.78 -56.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -50.61 -42.59 56.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -52.25 64.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.7 mt -59.49 -50.82 72.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mt -49.34 -56.62 8.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -59.92 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.8 mtp -43.55 148.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.08 -84.21 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.02 80.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.8 125.18 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.55 36.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m 53.57 102.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.09 -90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 81.32 2.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.87 132.51 54.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 p -89.14 -56.67 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 52.2 92.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -160.89 141.98 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.02 104.25 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -107.35 125.52 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.965 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.53 105.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.65 175.83 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -50.01 176.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.44 156.85 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.27 -27.71 18.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.05 -51.56 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.784 ' OD2' HD22 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -59.76 -48.18 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -45.44 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -38.98 -45.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -50.11 -52.05 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.535 HD11 ' HG3' ' A' ' 39' ' ' LYS . 92.6 mt -68.97 -54.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -53.16 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -52.47 -48.21 66.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtp -62.26 -45.46 93.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -124.5 75.74 62.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.32 6.35 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.0 -41.65 88.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 63.2 mmm -59.87 168.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.4 m-20 -89.23 137.86 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -60.89 -60.6 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -31.35 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 89.4 t -74.36 -57.84 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 mt -42.26 -50.45 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -58.54 -46.91 85.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -23.17 40.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 42' ' ' ALA . 90.3 t -84.88 -53.04 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.784 HD22 ' OD2' ' A' ' 12' ' ' ASP . 22.1 tp -58.98 -38.0 78.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -42.25 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -13.79 61.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.718 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 95.7 mm-40 -104.51 38.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.21 39.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.52 50.46 64.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 22.3 t-20 -117.3 98.24 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 16' ' ' ILE . 4.6 ttpt -50.47 -58.82 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.29 -64.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -49.04 -38.16 23.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -65.23 -51.73 59.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.92 -53.68 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.04 -44.6 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.66 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.89 -53.75 54.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.9 mt -40.64 -61.4 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -56.64 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 mmm -46.34 133.82 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.27 179.67 33.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -95.02 78.49 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -46.81 152.4 0.94 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 58.22 4.83 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.77 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.21 93.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.82 -146.48 19.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.27 7.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -141.09 -56.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 m -43.04 105.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 52.91 90.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -41.07 125.99 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.61 62.78 1.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 111.23 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -78.57 84.29 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.0 -123.11 5.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.1 m -106.79 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 2.2 t -156.82 155.56 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -78.69 -26.08 44.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.52 -55.69 18.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.806 ' OD1' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -54.85 -48.4 72.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -43.46 -70.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 8.9 mtmt -39.52 -46.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -48.68 -50.36 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' LEU . 62.0 mt -62.69 -52.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -42.64 -54.38 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -49.08 -44.36 41.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 mmm -69.88 -40.33 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -128.59 77.3 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 18.2 Cg_endo -75.02 -40.81 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -53.99 -43.52 70.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 75.7 mmm -55.17 170.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 139.15 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.26 -58.29 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -44.57 -36.28 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 -57.47 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.4 mt -41.52 -51.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' A' ' 13' ' ' LEU . 34.4 mtt180 -62.73 -41.6 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -61.41 -15.65 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -91.67 -56.43 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.806 HD22 ' OD1' ' A' ' 12' ' ' ASP . 45.7 tp -54.56 -37.48 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.81 -43.79 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.16 -8.48 57.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.603 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.6 mm-40 -108.77 43.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLN . 2.7 mtt180 38.75 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 32' ' ' LEU . . . 64.26 49.55 65.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -116.66 93.05 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 9.2 ttpp -41.89 -56.33 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -47.18 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -48.37 -41.09 27.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 39' ' ' LYS . . . -62.04 -56.97 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' NZ ' ' A' ' 39' ' ' LYS . 96.9 mt -44.12 -55.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -54.43 -45.63 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 16' ' ' ILE . 13.5 mt -57.97 -51.68 68.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -44.47 -60.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -58.18 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.0 mtt -38.8 138.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.77 113.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 50.47 92.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 134.01 82.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.74 5.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 m -90.3 165.27 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.02 166.04 46.08 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -47.4 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 t -46.22 113.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -80.87 125.86 30.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 65.08 166.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.99 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.8 -53.3 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.034 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.0 92.2 1.65 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -175.77 126.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.86 166.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.93 -106.82 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.4 m -104.94 -168.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -171.98 155.79 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.87 -25.37 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.95 -57.36 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.74 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -54.47 -49.07 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.02 -70.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.8 mmtt -39.06 -47.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -45.82 -57.21 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 46' ' ' LEU . 74.7 mt -66.89 -50.02 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -41.02 -50.75 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -54.24 -47.42 72.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.7 mtp -61.85 -35.07 77.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -132.01 77.05 72.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -53.89 -41.41 67.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 83.0 mmm -58.06 169.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 135.68 42.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.08 -53.04 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -39.51 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.33 -57.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 17' ' ' GLN . 11.9 mt -44.01 -55.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HG2' HD21 ' A' ' 13' ' ' LEU . 14.8 mtp180 -58.63 -34.45 71.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -22.11 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 42' ' ' ALA . 91.7 t -85.63 -49.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD22 ' OD1' ' A' ' 12' ' ' ASP . 5.3 tp -50.43 -59.26 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.15 -32.15 67.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.2 -11.77 59.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.738 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 77.3 mm-40 -115.34 41.87 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 39.54 31.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.47 47.82 33.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 15.9 t-20 -107.54 140.98 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' A' ' 43' ' ' ILE . 8.7 ttpt -89.13 -52.51 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.57 -60.03 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.738 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.63 -40.75 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -61.77 -50.44 72.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.9 mt -54.94 -62.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -45.72 -40.84 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -62.5 -53.62 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 16' ' ' ILE . 5.6 mt -58.66 -51.71 68.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.8 mt -42.01 -62.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -59.61 4.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.2 mmm -41.48 146.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.73 123.29 8.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.575 1.172 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.15 141.92 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.17 114.1 64.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.29 37.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -97.9 169.51 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.34 98.72 0.64 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 145.29 31.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 t -113.07 151.21 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 t -149.38 140.8 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -128.38 -59.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.24 57.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.434 1.083 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.78 -57.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 0.756 . . . . 0.0 110.027 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.0 136.92 57.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.6 -167.03 20.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -76.46 -173.53 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.99 145.99 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.76 -22.84 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.6 -48.13 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-20 -62.17 -39.74 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -56.09 -70.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 mttt -39.03 -42.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -52.83 -57.19 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.84 -52.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -52.5 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -52.0 -45.37 64.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.7 mmm -67.4 -37.92 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' HB3' ' CG ' ' A' ' 23' ' ' MET . 31.1 m-85 -127.85 75.46 78.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.75 7.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -69.21 -37.15 77.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 20' ' ' PHE . 79.6 mmm -58.35 172.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 1.8 m-20 -98.58 131.51 44.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.84 -49.44 75.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.19 -30.31 6.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 24' ' ' ASP . 86.7 t -78.67 -54.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.0 mt -44.31 -49.49 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' HG2' HD21 ' A' ' 13' ' ' LEU . 23.1 mtt85 -59.97 -48.8 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.9 m -50.66 -25.43 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' ALA . 61.6 t -89.89 -51.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.61 -40.62 75.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -31.29 63.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.8 -9.51 58.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.799 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.9 mm-40 -110.96 45.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 39.84 31.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.96 48.44 48.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 8.8 t-20 -104.22 148.53 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -92.89 -56.63 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -53.54 57.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB1' ' OE1' ' A' ' 35' ' ' GLN . . . -53.74 -46.5 70.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.674 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -59.57 -45.39 91.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.36 -60.61 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -40.35 -45.33 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD23 ' SD ' ' A' ' 49' ' ' MET . 3.5 mt -48.55 -32.55 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -59.97 -54.94 40.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -64.31 -65.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.418 ' SD ' HD23 ' A' ' 46' ' ' LEU . 3.4 ptp -40.04 155.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 -140.45 22.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -134.16 123.54 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.287 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.89 155.32 43.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.89 17.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.41 -55.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.09 -172.58 51.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.0 p -119.66 100.86 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 m -128.07 -58.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -58.12 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.29 160.45 42.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 124.32 28.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.4 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 p -59.2 154.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -139.6 2.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' CA ' ' A' ' 37' ' ' GLY . 75.3 m -57.66 172.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.8 166.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -17.95 34.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.48 -51.83 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 12.1 m-20 -60.39 -40.83 92.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -60.08 -70.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.29 -42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -51.11 -52.4 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 64.4 mt -60.71 -50.43 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -41.46 -51.18 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -51.65 -46.39 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -65.27 -35.25 80.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -133.27 76.69 68.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.03 4.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.4 p30 -62.68 -46.05 89.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mmm -51.38 175.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 1.5 m-20 -92.71 130.8 38.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.417 ' NE2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt-30 -58.75 -55.78 30.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -30.88 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 94.9 t -76.2 -54.34 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.717 HG22 HD23 ' A' ' 13' ' ' LEU . 50.9 mt -51.04 -32.33 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.4 ttt-85 -82.97 -24.81 32.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -74.24 -19.53 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 42' ' ' ALA . 87.1 t -89.82 -44.37 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.734 HD22 ' HG ' ' A' ' 13' ' ' LEU . 8.6 tp -57.67 -41.65 81.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -26.34 61.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.13 -5.78 56.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.586 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 74.1 mm-40 -117.63 48.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 39.31 28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . 70.29 49.35 33.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.4 m-80 -101.08 146.58 27.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -92.83 -51.42 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.43 -48.29 67.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.95 -44.73 87.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.575 ' HA ' HG12 ' A' ' 31' ' ' VAL . . . -61.61 -53.89 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -51.81 -53.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -50.97 -46.9 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB3' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -58.75 -47.79 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.39 -46.14 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.3 mt -46.65 -58.73 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -53.88 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.5 mtt -43.46 134.16 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.61 171.85 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -132.04 56.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -75.11 151.29 85.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.84 136.66 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.52 99.03 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.6 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m 61.34 101.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -174.18 154.49 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -157.21 80.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.31 -58.13 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.84 168.23 54.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -112.82 -60.84 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 0.739 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.01 161.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.34 -117.46 3.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -49.28 170.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.98 168.42 27.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.5 -27.01 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.26 -58.39 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.709 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -53.14 -57.47 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -46.09 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -39.58 -54.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -41.07 -55.66 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 39' ' ' LYS . 65.0 mt -57.8 -52.26 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -52.2 3.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.28 -46.1 65.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.5 mmm -67.23 -37.49 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -129.57 76.99 77.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -44.53 -47.2 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.3 mmm -50.74 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.45 132.97 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -62.57 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -40.73 -34.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -75.69 -54.17 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG22 HD23 ' A' ' 13' ' ' LEU . 16.3 mt -50.12 -31.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.842 ' HB2' HD11 ' A' ' 13' ' ' LEU . 6.7 ttm180 -84.34 -30.88 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -71.65 -13.23 61.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t -94.71 -52.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD21 ' OD2' ' A' ' 12' ' ' ASP . 12.4 tp -55.2 -39.45 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -37.93 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.89 -8.83 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 90.1 mm-40 -109.56 42.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 42.26 29.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.01 44.75 87.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -112.87 90.16 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.758 ' HE2' HD11 ' A' ' 43' ' ' ILE . 29.0 tttt -42.41 -58.3 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -43.87 -62.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -50.48 -45.12 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -58.7 -61.24 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.758 HD11 ' HE2' ' A' ' 39' ' ' LYS . 63.5 mt -40.36 -50.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -59.86 -44.96 93.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' ALA . 20.9 t -61.44 -49.38 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 28' ' ' ILE . 4.8 mt -58.36 -53.22 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 47' ' ' LEU . 1.5 mt -42.49 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -57.46 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.18 139.25 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.94 -163.91 37.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -110.1 73.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.81 116.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 65.2 6.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t -129.92 157.53 42.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.89 98.74 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.07 2.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.1 p -111.23 148.61 32.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.35 -60.42 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -147.89 -57.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -66.81 163.48 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.34 -152.98 20.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p -94.06 124.12 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.04 140.4 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.3 160.37 3.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 p -53.17 179.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.23 165.88 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.87 -25.63 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.12 -58.77 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.799 ' OD2' HD21 ' A' ' 32' ' ' LEU . 12.1 p-10 -52.4 -57.7 9.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -44.56 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -48.84 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . -46.06 -51.46 13.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG21 HG23 ' A' ' 28' ' ' ILE . 54.6 mt -61.96 -50.97 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -52.3 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -53.7 -43.07 68.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' ILE . 6.2 mmm -71.7 -32.87 68.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.675 ' O ' HD11 ' A' ' 28' ' ' ILE . 82.9 m-85 -133.27 77.6 66.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -47.94 -37.99 15.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.8 mtp -56.9 175.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 10.2 m-20 -100.11 129.1 46.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -60.44 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -44.88 -40.48 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 63.1 t -68.59 -53.37 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 20' ' ' PHE . 49.3 mt -51.61 -36.58 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.867 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -79.73 -24.55 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -75.72 -16.32 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 46' ' ' LEU . 95.1 t -92.19 -48.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD21 ' OD2' ' A' ' 12' ' ' ASP . 13.4 tp -57.78 -42.72 84.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -41.92 75.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 -10.23 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' OE1' ' HB1' ' A' ' 41' ' ' ALA . 88.4 mm-40 -110.45 41.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 46.1 25.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.88 20.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.81 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 5.7 t-20 -107.16 127.0 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -79.49 -51.18 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.16 -54.34 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.81 ' HB3' ' HB3' ' A' ' 38' ' ' ASN . . . -57.79 -47.6 82.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 38' ' ' ASN . . . -57.78 -55.5 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.712 ' HA ' HD12 ' A' ' 46' ' ' LEU . 36.1 mt -46.01 -50.7 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -57.28 -52.08 66.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -37.69 63.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 43' ' ' ILE . 3.5 mt -71.44 -53.54 13.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -44.04 -55.08 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.226 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -51.45 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.9 mtt -46.26 129.7 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.38 -178.19 17.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -135.43 115.5 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.41 114.21 43.24 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.58 43.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -141.21 86.74 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.63 168.15 22.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 p -168.09 136.24 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.79 -58.43 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 stop_ save_